data_r5fyxsf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      5fyx 
_cell.length_a      54.0570 
_cell.length_b      62.9970 
_cell.length_c      63.4250 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97925 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.800 
_diffrn_reflns.pdbx_d_res_low    44.696 
_diffrn_reflns.limit_h_max       30 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       34 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       35 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            20668 
_diffrn_reflns.pdbx_number_obs   20514 
# 
_entry.id   5fyx 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5fyx 
_symmetry.space_group_name_H-M   'P 21 21 21' 
_symmetry.Int_Tables_number      19 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'           
2 'X+1/2,  -Y+1/2,  -Z' 
3 '-X,  Y+1/2,  -Z+1/2' 
4 '-X+1/2,  -Y,  Z+1/2' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.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    2 o  1242.08   13.115 12123.18  255.567 12123.18  255.567 12123.18  255.567  1242.08   13.115  1242.08   13.115 0.000000 0.000000 
1 1 1    0    0    6 o  370.187   4.4718  1075.89   25.970  1075.89   25.970  1075.89   25.970  370.187   4.4718  370.187   4.4718 -0.000000 0.000000 
1 1 1    0    0    8 o  817.033   12.488  5249.00  160.038  5249.00  160.038  5249.00  160.038  817.033   12.488  817.033   12.488 0.000000 0.000000 
1 1 1    0    0   10 f  274.088   3.6794  589.895   15.820  589.895   15.820  589.895   15.820  274.088   3.6794  274.088   3.6794 0.000000 0.000000 
1 1 1    0    0   12 o  241.339   3.4341  457.354   13.000  457.354   13.000  457.354   13.000  241.339   3.4341  241.339   3.4341 0.000000 0.000000 
1 1 1    0    0   14 o  1144.00   17.378 10300.00  311.816 10300.00  311.816 10300.00  311.816  1144.00   17.378  1144.00   17.378 0.000000 0.000000 
1 1 1    0    1    1 o  994.219   7.4489  7763.09  116.206  7763.09  116.206  7763.09  116.206  994.219   7.4489  994.219   7.4489 -0.000000 0.000000 
1 1 1    0    1    2 o   76.732   1.7274   46.270   2.0777   46.270   2.0777   46.270   2.0777   76.732   1.7274   76.732   1.7274 0.000000 0.000000 
1 1 1    0    1    3 o   36.715   2.0292   10.674   1.1609   10.674   1.1609   10.674   1.1609   36.715   2.0292   36.715   2.0292 -0.000000 0.000000 
1 1 1    0    1    4 o  733.364   5.0127  4222.03   57.684  4222.03   57.684  4222.03   57.684  733.364   5.0127  733.364   5.0127 -0.000000 0.000000 
1 1 1    0    1    5 o  851.376   5.7669  5690.78   77.042  5690.78   77.042  5690.78   77.042  851.376   5.7669  851.376   5.7669 0.000000 0.000000 
1 1 1    0    1    6 o  120.744   2.6437  114.571   5.0041  114.571   5.0041  114.571   5.0041  120.744   2.6437  120.744   2.6437 -0.000000 0.000000 
1 1 1    0    1    7 o  802.124   4.9922  5050.98   62.836  5050.98   62.836  5050.98   62.836  802.124   4.9922  802.124   4.9922 0.000000 0.000000 
1 1 1    0    1    9 o  144.854   1.6265  164.713   3.6964  164.713   3.6964  164.713   3.6964  144.854   1.6265  144.854   1.6265 0.000000 0.000000 
1 1 1    0    1   10 o   41.908   1.7059   13.850   1.1177   13.850   1.1177   13.850   1.1177   41.908   1.7059   41.908   1.7059 0.000000 0.000000 
1 1 1    0    1   11 o   67.859   1.9539   36.225   2.0768   36.225   2.0768   36.225   2.0768   67.859   1.9539   67.859   1.9539 0.000000 0.000000 
1 1 1    0    1   12 o  140.108   2.0380  154.141   4.4790  154.141   4.4790  154.141   4.4790  140.108   2.0380  140.108   2.0380 0.000000 0.000000 
1 1 1    0    1   13 o  143.172   2.4006  160.990   5.3903  160.990   5.3903  160.990   5.3903  143.172   2.4006  143.172   2.4006 -0.000000 0.000000 
1 1 1    0    1   14 o  310.659   2.8497  757.544   13.890  757.544   13.890  757.544   13.890  310.659   2.8497  310.659   2.8497 0.000000 0.000000 
1 1 1    0    1   15 o  367.995   3.1954  1063.01   18.450  1063.01   18.450  1063.01   18.450  367.995   3.1954  367.995   3.1954 0.000000 0.000000 
1 1 1    0    1   16 o  459.693   4.3591  1659.29   31.440  1659.29   31.440  1659.29   31.440  459.693   4.3591  459.693   4.3591 -0.000000 0.000000 
1 1 1    0    1   17 o   96.135   2.9791   72.744   4.4847   72.744   4.4847   72.744   4.4847   96.135   2.9791   96.135   2.9791 -0.000000 0.000000 
1 1 1    0    1   18 o  136.173   2.0736  145.627   4.4288  145.627   4.4288  145.627   4.4288  136.173   2.0736  136.173   2.0736 0.000000 0.000000 
1 1 1    0    1   19 o   25.602   3.7211   5.4638   1.4030   5.4638   1.4030   5.4638   1.4030   25.602   3.7211   25.602   3.7211 0.000000 0.000000 
1 1 1    0    1   20 o   19.797   6.0426   3.8327   1.6395   3.8327   1.6395   3.8327   1.6395   19.797   6.0426   19.797   6.0426 0.000000 0.000000 
1 1 1    0    2    0 o  941.588   7.0704  6960.12  104.461  6960.12  104.461  6960.12  104.461  941.588   7.0704  941.588   7.0704 -0.000000 0.000000 
1 1 1    0    2    1 o  1029.41   5.4467  8318.87   87.985  8318.87   87.985  8318.87   87.985  1029.41   5.4467  1029.41   5.4467 0.000000 0.000000 
1 1 1    0    2    2 o  464.937   3.0840  1696.59   22.500  1696.59   22.500  1696.59   22.500  464.937   3.0840  464.937   3.0840 0.000000 0.000000 
1 1 1    0    2    3 o  219.277   2.3097  377.432   7.9461  377.432   7.9461  377.432   7.9461  219.277   2.3097  219.277   2.3097 -0.000000 0.000000 
1 1 1    0    2    4 o  373.885   3.2003  1097.26   18.774  1097.26   18.774  1097.26   18.774  373.885   3.2003  373.885   3.2003 0.000000 0.000000 
1 1 1    0    2    5 o  849.895   5.2490  5670.44   70.002  5670.44   70.002  5670.44   70.002  849.895   5.2490  849.895   5.2490 -0.000000 0.000000 
1 1 1    0    2    6 o  780.351   4.8530  4780.22   59.425  4780.22   59.425  4780.22   59.425  780.351   4.8530  780.351   4.8530 0.000000 0.000000 
1 1 1    0    2    7 o   56.522   1.6321   25.131   1.4449   25.131   1.4449   25.131   1.4449   56.522   1.6321   56.522   1.6321 0.000000 0.000000 
1 1 1    0    2    8 o  960.155   6.4668  7240.53   97.431  7240.53   97.431  7240.53   97.431  960.155   6.4668  960.155   6.4668 0.000000 0.000000 
1 1 1    0    2    9 o  552.037   3.5727  2392.27   30.948  2392.27   30.948  2392.27   30.948  552.037   3.5727  552.037   3.5727 -0.000000 0.000000 
1 1 1    0    2   10 o   39.615   1.9823   12.408   1.2253   12.408   1.2253   12.408   1.2253   39.615   1.9823   39.615   1.9823 -0.000000 0.000000 
1 1 1    0    2   11 o  460.073   3.0793  1661.48   22.230  1661.48   22.230  1661.48   22.230  460.073   3.0793  460.073   3.0793 -0.000000 0.000000 
1 1 1    0    2   12 o  262.133   2.1051  539.318   8.6585  539.318   8.6585  539.318   8.6585  262.133   2.1051  262.133   2.1051 0.000000 0.000000 
1 1 1    0    2   13 o  459.364   2.8680  1656.16   20.673  1656.16   20.673  1656.16   20.673  459.364   2.8680  459.364   2.8680 -0.000000 0.000000 
1 1 1    0    2   14 o  132.334   2.4852  137.569   5.1569  137.569   5.1569  137.569   5.1569  132.334   2.4852  132.334   2.4852 -0.000000 0.000000 
1 1 1    0    2   15 o  121.731   2.9808  116.502   5.6867  116.502   5.6867  116.502   5.6867  121.731   2.9808  121.731   2.9808 0.000000 0.000000 
1 1 1    0    2   16 o  697.273   5.3948  3818.22   59.024  3818.22   59.024  3818.22   59.024  697.273   5.3948  697.273   5.3948 -0.000000 0.000000 
1 1 1    0    2   17 o  128.288   2.1874  129.268   4.4008  129.268   4.4008  129.268   4.4008  128.288   2.1874  128.288   2.1874 0.000000 0.000000 
1 1 1    0    2   18 o  290.295   3.1907  661.792   14.531  661.792   14.531  661.792   14.531  290.295   3.1907  290.295   3.1907 0.000000 0.000000 
1 1 1    0    2   19 o   32.922   3.8003   8.8481   1.8955   8.8481   1.8955   8.8481   1.8955   32.922   3.8003   32.922   3.8003 -0.000000 0.000000 
1 1 1    0    2   20 o   14.071   6.6542   2.2876   1.6632   2.2876   1.6632   2.2876   1.6632   14.071   6.6542   14.071   6.6542 -0.000000 0.000000 
1 1 1    0    2   21 o   38.961   3.3783   12.198   2.0283   12.198   2.0283   12.198   2.0283   38.961   3.3783   38.961   3.3783 0.000000 0.000000 
1 1 1    0    2   22 f  195.365   2.3195  299.933   7.1091  299.933   7.1091  299.933   7.1091  195.365   2.3195  195.365   2.3195 -0.000000 0.000000 
1 1 1    0    2   24 o  175.065   3.0661  241.421   8.4178  241.421   8.4178  241.421   8.4178  175.065   3.0661  175.065   3.0661 0.000000 0.000000 
1 1 1    0    3    1 o  414.345   2.8328  1347.44   18.418  1347.44   18.418  1347.44   18.418  414.345   2.8328  414.345   2.8328 0.000000 0.000000 
1 1 1    0    3    2 o  1215.18   6.3901 11593.91  121.851 11593.91  121.851 11593.91  121.851  1215.18   6.3901  1215.18   6.3901 0.000000 0.000000 
1 1 1    0    3    3 o  1022.76   5.7952  8212.25   93.008  8212.25   93.008  8212.25   93.008  1022.76   5.7952  1022.76   5.7952 -0.000000 0.000000 
1 1 1    0    3    4 o  338.257   2.4530  897.994   13.020  897.994   13.020  897.994   13.020  338.257   2.4530  338.257   2.4530 0.000000 0.000000 
1 1 1    0    3    5 o  272.510   2.1476  582.839   9.1828  582.839   9.1828  582.839   9.1828  272.510   2.1476  272.510   2.1476 0.000000 0.000000 
1 1 1    0    3    6 o  301.715   1.9744  714.418   9.3477  714.418   9.3477  714.418   9.3477  301.715   1.9744  301.715   1.9744 -0.000000 0.000000 
1 1 1    0    3    7 o  161.951   1.7216  205.880   4.3745  205.880   4.3745  205.880   4.3745  161.951   1.7216  161.951   1.7216 0.000000 0.000000 
1 1 1    0    3    8 o  126.922   1.8693  126.492   3.7214  126.492   3.7214  126.492   3.7214  126.922   1.8693  126.922   1.8693 -0.000000 0.000000 
1 1 1    0    3    9 o  351.200   2.1876  968.036   12.056  968.036   12.056  968.036   12.056  351.200   2.1876  351.200   2.1876 -0.000000 0.000000 
1 1 1    0    3   10 o  108.503   1.4419   92.430   2.4542   92.430   2.4542   92.430   2.4542  108.503   1.4419  108.503   1.4419 0.000000 0.000000 
1 1 1    0    3   11 o  303.381   2.8060  722.521   13.357  722.521   13.357  722.521   13.357  303.381   2.8060  303.381   2.8060 0.000000 0.000000 
1 1 1    0    3   12 o  279.410   2.0394  612.724   8.9411  612.724   8.9411  612.724   8.9411  279.410   2.0394  279.410   2.0394 0.000000 0.000000 
1 1 1    0    3   13 o  174.723   2.0195  239.651   5.5357  239.651   5.5357  239.651   5.5357  174.723   2.0195  174.723   2.0195 0.000000 0.000000 
1 1 1    0    3   14 o  208.457   2.7153  341.178   8.8791  341.178   8.8791  341.178   8.8791  208.457   2.7153  208.457   2.7153 -0.000000 0.000000 
1 1 1    0    3   15 f  100.048   1.7702   78.619   2.7774   78.619   2.7774   78.619   2.7774  100.048   1.7702  100.048   1.7702 -0.000000 0.000000 
1 1 1    0    3   16 o  192.483   1.8551  290.816   5.6025  290.816   5.6025  290.816   5.6025  192.483   1.8551  192.483   1.8551 0.000000 0.000000 
1 1 1    0    3   17 o   54.797   4.0523   23.958   3.4400   23.958   3.4400   23.958   3.4400   54.797   4.0523   54.797   4.0523 0.000000 0.000000 
1 1 1    0    3   18 o   42.034   3.5430   14.166   2.2975   14.166   2.2975   14.166   2.2975   42.034   3.5430   42.034   3.5430 0.000000 0.000000 
1 1 1    0    3   19 o  116.732   2.3010  107.092   4.2115  107.092   4.2115  107.092   4.2115  116.732   2.3010  116.732   2.3010 0.000000 0.000000 
1 1 1    0    3   20 o   52.970   3.0330   22.256   2.5021   22.256   2.5021   22.256   2.5021   52.970   3.0330   52.970   3.0330 -0.000000 0.000000 
1 1 1    0    3   21 o   6.1061   4.3469  -2.5743   1.8155  -2.5743   1.8155  -2.5743   1.8155   6.1061   4.3469   6.1061   4.3469 -0.000000 0.000000 
1 1 1    0    3   22 o   81.008   3.0064   51.800   3.8099   51.800   3.8099   51.800   3.8099   81.008   3.0064   81.008   3.0064 0.000000 0.000000 
1 1 1    0    3   24 o   98.589   2.3003   76.523   3.5546   76.523   3.5546   76.523   3.5546   98.589   2.3003   98.589   2.3003 -0.000000 0.000000 
1 1 1    0    3   25 o   37.514   3.4459   11.374   1.9872   11.374   1.9872   11.374   1.9872   37.514   3.4459   37.514   3.4459 -0.000000 0.000000 
1 1 1    0    3   26 o   67.855   2.3645   36.376   2.5109   36.376   2.5109   36.376   2.5109   67.855   2.3645   67.855   2.3645 0.000000 0.000000 
1 1 1    0    3   27 o   37.996   2.9208   11.596   1.7173   11.596   1.7173   11.596   1.7173   37.996   2.9208   37.996   2.9208 -0.000000 0.000000 
1 1 1    0    4    0 o  318.854   2.9113  797.983   14.565  797.983   14.565  797.983   14.565  318.854   2.9113  318.854   2.9113 -0.000000 0.000000 
1 1 1    0    4    1 o  208.598   1.6498  341.505   5.4000  341.505   5.4000  341.505   5.4000  208.598   1.6498  208.598   1.6498 0.000000 0.000000 
1 1 1    0    4    2 o  371.254   2.2769  1081.68   13.264  1081.68   13.264  1081.68   13.264  371.254   2.2769  371.254   2.2769 0.000000 0.000000 
1 1 1    0    4    3 o  380.467   2.6784  1136.10   15.990  1136.10   15.990  1136.10   15.990  380.467   2.6784  380.467   2.6784 0.000000 0.000000 
1 1 1    0    4    4 o  889.158   4.7520  6205.88   66.303  6205.88   66.303  6205.88   66.303  889.158   4.7520  889.158   4.7520 0.000000 0.000000 
1 1 1    0    4    5 o  903.899   4.8263  6413.52   68.456  6413.52   68.456  6413.52   68.456  903.899   4.8263  903.899   4.8263 -0.000000 0.000000 
1 1 1    0    4    6 o  169.376   1.5557  225.168   4.1343  225.168   4.1343  225.168   4.1343  169.376   1.5557  169.376   1.5557 -0.000000 0.000000 
1 1 1    0    4    7 f  118.911   1.4761  111.005   2.7536  111.005   2.7536  111.005   2.7536  118.911   1.4761  118.911   1.4761 0.000000 0.000000 
1 1 1    0    4    8 o  530.247   3.0055  2206.82   25.007  2206.82   25.007  2206.82   25.007  530.247   3.0055  530.247   3.0055 -0.000000 0.000000 
1 1 1    0    4    9 o  319.576   2.0747  801.550   10.404  801.550   10.404  801.550   10.404  319.576   2.0747  319.576   2.0747 0.000000 0.000000 
1 1 1    0    4   10 o  176.986   2.2219  245.935   6.1691  245.935   6.1691  245.935   6.1691  176.986   2.2219  176.986   2.2219 -0.000000 0.000000 
1 1 1    0    4   11 o  149.778   1.5649  176.092   3.6774  176.092   3.6774  176.092   3.6774  149.778   1.5649  149.778   1.5649 -0.000000 0.000000 
1 1 1    0    4   12 o  104.249   1.6024   85.339   2.6202   85.339   2.6202   85.339   2.6202  104.249   1.6024  104.249   1.6024 -0.000000 0.000000 
1 1 1    0    4   13 o  723.308   4.5488  4106.92   51.629  4106.92   51.629  4106.92   51.629  723.308   4.5488  723.308   4.5488 0.000000 0.000000 
1 1 1    0    4   14 o   67.364   2.4000   35.746   2.5299   35.746   2.5299   35.746   2.5299   67.364   2.4000   67.364   2.4000 -0.000000 0.000000 
1 1 1    0    4   15 o  284.452   2.4417  635.101   10.898  635.101   10.898  635.101   10.898  284.452   2.4417  284.452   2.4417 0.000000 0.000000 
1 1 1    0    4   16 o  290.952   2.2722  664.437   10.373  664.437   10.373  664.437   10.373  290.952   2.2722  290.952   2.2722 -0.000000 0.000000 
1 1 1    0    4   17 o  230.329   2.1828  416.453   7.8882  416.453   7.8882  416.453   7.8882  230.329   2.1828  230.329   2.1828 -0.000000 0.000000 
1 1 1    0    4   18 o   40.519   3.0959   13.113   1.9415   13.113   1.9415   13.113   1.9415   40.519   3.0959   40.519   3.0959 0.000000 0.000000 
1 1 1    0    4   19 o   93.576   3.7979   69.139   5.5562   69.139   5.5562   69.139   5.5562   93.576   3.7979   93.576   3.7979 -0.000000 0.000000 
1 1 1    0    4   20 o   45.575   5.9460   17.179   4.0526   17.179   4.0526   17.179   4.0526   45.575   5.9460   45.575   5.9460 0.000000 0.000000 
1 1 1    0    4   21 o  126.325   3.5325  125.770   6.9904  125.770   6.9904  125.770   6.9904  126.325   3.5325  126.325   3.5325 -0.000000 0.000000 
1 1 1    0    4   22 o   62.048   4.8602   30.913   4.6638   30.913   4.6638   30.913   4.6638   62.048   4.8602   62.048   4.8602 -0.000000 0.000000 
1 1 1    0    4   23 o   69.566   5.9365   39.150   6.3680   39.150   6.3680   39.150   6.3680   69.566   5.9365   69.566   5.9365 -0.000000 0.000000 
1 1 1    0    4   24 o   47.314   3.4502   17.913   2.5298   17.913   2.5298   17.913   2.5298   47.314   3.4502   47.314   3.4502 0.000000 0.000000 
1 1 1    0    4   25 o  124.339   2.3799  121.753   4.6399  121.753   4.6399  121.753   4.6399  124.339   2.3799  124.339   2.3799 0.000000 0.000000 
1 1 1    0    4   26 o   11.035   6.5988   1.0626   2.0299   1.0626   2.0299   1.0626   2.0299   11.035   6.5988   11.035   6.5988 0.000000 0.000000 
1 1 1    0    4   27 f   9.1806   5.8846   0.1515   1.9160   0.1515   1.9160   0.1515   1.9160   9.1806   5.8846   9.1806   5.8846 0.000000 0.000000 
1 1 1    0    4   28 o   10.302   6.2059   0.9071   1.8217   0.9071   1.8217   0.9071   1.8217   10.302   6.2059   10.302   6.2059 0.000000 0.000000 
1 1 1    0    4   29 o   39.994   3.1846   12.928   1.9687   12.928   1.9687   12.928   1.9687   39.994   3.1846   39.994   3.1846 0.000000 0.000000 
1 1 1    0    4   30 o   13.331   6.4063   2.1621   1.5481   2.1621   1.5481   2.1621   1.5481   13.331   6.4063   13.331   6.4063 -0.000000 0.000000 
1 1 1    0    5    1 o  404.036   2.4382  1281.15   15.458  1281.15   15.458  1281.15   15.458  404.036   2.4382  404.036   2.4382 0.000000 0.000000 
1 1 1    0    5    2 o   77.583   2.1959   47.345   2.6687   47.345   2.6687   47.345   2.6687   77.583   2.1959   77.583   2.1959 0.000000 0.000000 
1 1 1    0    5    3 o  140.437   2.2014  154.877   4.8490  154.877   4.8490  154.877   4.8490  140.437   2.2014  140.437   2.2014 -0.000000 0.000000 
1 1 1    0    5    4 o  768.454   4.8040  4635.59   57.929  4635.59   57.929  4635.59   57.929  768.454   4.8040  768.454   4.8040 0.000000 0.000000 
1 1 1    0    5    5 o  428.615   2.9425  1441.89   19.790  1441.89   19.790  1441.89   19.790  428.615   2.9425  428.615   2.9425 -0.000000 0.000000 
1 1 1    0    5    6 o  496.349   3.2983  1933.71   25.689  1933.71   25.689  1933.71   25.689  496.349   3.2983  496.349   3.2983 0.000000 0.000000 
1 1 1    0    5    7 o  216.898   1.9841  369.263   6.7522  369.263   6.7522  369.263   6.7522  216.898   1.9841  216.898   1.9841 -0.000000 0.000000 
1 1 1    0    5    8 o  396.160   2.7841  1231.89   17.307  1231.89   17.307  1231.89   17.307  396.160   2.7841  396.160   2.7841 0.000000 0.000000 
1 1 1    0    5    9 o   21.845   4.3253   4.1570   1.3179   4.1570   1.3179   4.1570   1.3179   21.845   4.3253   21.845   4.3253 -0.000000 0.000000 
1 1 1    0    5   10 o   51.031   2.0972   20.539   1.6730   20.539   1.6730   20.539   1.6730   51.031   2.0972   51.031   2.0972 0.000000 0.000000 
1 1 1    0    5   11 o   14.439   6.1159   2.3191   1.4025   2.3191   1.4025   2.3191   1.4025   14.439   6.1159   14.439   6.1159 0.000000 0.000000 
1 1 1    0    5   12 o   9.9050   5.7803   0.9109   1.4915   0.9109   1.4915   0.9109   1.4915   9.9050   5.7803   9.9050   5.7803 0.000000 0.000000 
1 1 1    0    5   13 o  285.746   1.9911  640.805   8.9274  640.805   8.9274  640.805   8.9274  285.746   1.9911  285.746   1.9911 0.000000 0.000000 
1 1 1    0    5   14 o  418.848   3.1932  1377.02   20.986  1377.02   20.986  1377.02   20.986  418.848   3.1932  418.848   3.1932 0.000000 0.000000 
1 1 1    0    5   15 o   65.599   2.1078   33.873   2.1647   33.873   2.1647   33.873   2.1647   65.599   2.1078   65.599   2.1078 -0.000000 0.000000 
1 1 1    0    5   16 o   63.041   2.2283   31.304   2.1982   31.304   2.1982   31.304   2.1982   63.041   2.2283   63.041   2.2283 -0.000000 0.000000 
1 1 1    0    5   17 o  275.941   1.9628  597.645   8.4986  597.645   8.4986  597.645   8.4986  275.941   1.9628  275.941   1.9628 -0.000000 0.000000 
1 1 1    0    5   18 o   69.863   1.8488   38.387   2.0238   38.387   2.0238   38.387   2.0238   69.863   1.8488   69.863   1.8488 0.000000 0.000000 
1 1 1    0    5   19 o   64.055   1.8540   32.287   1.8601   32.287   1.8601   32.287   1.8601   64.055   1.8540   64.055   1.8540 0.000000 0.000000 
1 1 1    0    5   20 o   76.980   1.6829   46.583   2.0308   46.583   2.0308   46.583   2.0308   76.980   1.6829   76.980   1.6829 0.000000 0.000000 
1 1 1    0    5   21 o   8.6240   5.1578   0.6089   1.2406   0.6089   1.2406   0.6089   1.2406   8.6240   5.1578   8.6240   5.1578 -0.000000 0.000000 
1 1 1    0    5   22 o   63.610   3.2278   32.069   3.2031   32.069   3.2031   32.069   3.2031   63.610   3.2278   63.610   3.2278 -0.000000 0.000000 
1 1 1    0    5   23 o   81.291   2.9869   52.193   3.7987   52.193   3.7987   52.193   3.7987   81.291   2.9869   81.291   2.9869 -0.000000 0.000000 
1 1 1    0    5   24 o   10.313   6.5699   0.2522   2.3434   0.2522   2.3434   0.2522   2.3434   10.313   6.5699   10.313   6.5699 -0.000000 0.000000 
1 1 1    0    5   25 o   29.321   6.1718   7.6708   2.5000   7.6708   2.5000   7.6708   2.5000   29.321   6.1718   29.321   6.1718 0.000000 0.000000 
1 1 1    0    5   26 o   46.902   3.9088   17.779   2.8294   17.779   2.8294   17.779   2.8294   46.902   3.9088   46.902   3.9088 0.000000 0.000000 
1 1 1    0    5   27 f   20.215   10.050   5.0905   3.8584   5.0905   3.8584   5.0905   3.8584   20.215   10.050   20.215   10.050 0.000000 0.000000 
1 1 1    0    5   28 o   13.415   8.4398   1.0714   3.7315   1.0714   3.7315   1.0714   3.7315   13.415   8.4398   13.415   8.4398 -0.000000 0.000000 
1 1 1    0    5   29 o   20.131   7.2892   4.3910   2.1136   4.3910   2.1136   4.3910   2.1136   20.131   7.2892   20.131   7.2892 -0.000000 0.000000 
1 1 1    0    5   30 f   32.517   4.5253   9.0038   2.1814   9.0038   2.1814   9.0038   2.1814   32.517   4.5253   32.517   4.5253 0.000000 0.000000 
1 1 1    0    5   31 o   11.214   6.4104   1.4811   1.7775   1.4811   1.7775   1.4811   1.7775   11.214   6.4104   11.214   6.4104 -0.000000 0.000000 
1 1 1    0    5   32 o   10.633   5.9259   1.3959   1.4693   1.3959   1.4693   1.3959   1.4693   10.633   5.9259   10.633   5.9259 -0.000000 0.000000 
1 1 1    0    6    0 o  239.425   2.5536  449.971   9.5923  449.971   9.5923  449.971   9.5923  239.425   2.5536  239.425   2.5536 -0.000000 0.000000 
1 1 1    0    6    1 o  557.672   3.1527  2440.82   27.589  2440.82   27.589  2440.82   27.589  557.672   3.1527  557.672   3.1527 -0.000000 0.000000 
1 1 1    0    6    2 o  165.094   2.2503  214.000   5.8277  214.000   5.8277  214.000   5.8277  165.094   2.2503  165.094   2.2503 0.000000 0.000000 
1 1 1    0    6    3 o  273.188   2.2321  585.760   9.5679  585.760   9.5679  585.760   9.5679  273.188   2.2321  273.188   2.2321 -0.000000 0.000000 
1 1 1    0    6    4 o   61.440   2.2824   29.744   2.1937   29.744   2.1937   29.744   2.1937   61.440   2.2824   61.440   2.2824 -0.000000 0.000000 
1 1 1    0    6    5 o  225.640   2.5209  399.688   8.9240  399.688   8.9240  399.688   8.9240  225.640   2.5209  225.640   2.5209 -0.000000 0.000000 
1 1 1    0    6    6 o  173.264   2.7531  235.772   7.4814  235.772   7.4814  235.772   7.4814  173.264   2.7531  173.264   2.7531 -0.000000 0.000000 
1 1 1    0    6    7 o  132.929   1.8681  138.744   3.8952  138.744   3.8952  138.744   3.8952  132.929   1.8681  132.929   1.8681 0.000000 0.000000 
1 1 1    0    6    8 o  332.347   2.5138  866.988   13.109  866.988   13.109  866.988   13.109  332.347   2.5138  332.347   2.5138 0.000000 0.000000 
1 1 1    0    6    9 o  212.586   2.0479  354.747   6.8305  354.747   6.8305  354.747   6.8305  212.586   2.0479  212.586   2.0479 0.000000 0.000000 
1 1 1    0    6   10 o   83.198   1.8142   54.395   2.3662   54.395   2.3662   54.395   2.3662   83.198   1.8142   83.198   1.8142 0.000000 0.000000 
1 1 1    0    6   11 o   63.232   2.1335   31.483   2.1117   31.483   2.1117   31.483   2.1117   63.232   2.1335   63.232   2.1335 -0.000000 0.000000 
1 1 1    0    6   12 o   48.103   2.9063   18.356   2.1754   18.356   2.1754   18.356   2.1754   48.103   2.9063   48.103   2.9063 0.000000 0.000000 
1 1 1    0    6   13 o   88.545   2.7463   61.703   3.8077   61.703   3.8077   61.703   3.8077   88.545   2.7463   88.545   2.7463 -0.000000 0.000000 
1 1 1    0    6   14 o   77.778   2.0757   47.573   2.5294   47.573   2.5294   47.573   2.5294   77.778   2.0757   77.778   2.0757 0.000000 0.000000 
1 1 1    0    6   15 o  645.138   3.5878  3267.06   36.321  3267.06   36.321  3267.06   36.321  645.138   3.5878  645.138   3.5878 0.000000 0.000000 
1 1 1    0    6   16 o  249.044   2.2143  486.851   8.6524  486.851   8.6524  486.851   8.6524  249.044   2.2143  249.044   2.2143 -0.000000 0.000000 
1 1 1    0    6   17 o  205.666   1.7976  332.023   5.8008  332.023   5.8008  332.023   5.8008  205.666   1.7976  205.666   1.7976 0.000000 0.000000 
1 1 1    0    6   18 o   44.293   2.6636   15.568   1.8359   15.568   1.8359   15.568   1.8359   44.293   2.6636   44.293   2.6636 0.000000 0.000000 
1 1 1    0    6   19 o  181.029   1.7342  257.302   4.9257  257.302   4.9257  257.302   4.9257  181.029   1.7342  181.029   1.7342 0.000000 0.000000 
1 1 1    0    6   20 o   57.569   2.1359   26.130   1.9236   26.130   1.9236   26.130   1.9236   57.569   2.1359   57.569   2.1359 0.000000 0.000000 
1 1 1    0    6   21 o   30.455   3.1203   7.5169   1.4524   7.5169   1.4524   7.5169   1.4524   30.455   3.1203   30.455   3.1203 0.000000 0.000000 
1 1 1    0    6   22 o   48.526   2.1436   18.606   1.6251   18.606   1.6251   18.606   1.6251   48.526   2.1436   48.526   2.1436 0.000000 0.000000 
1 1 1    0    6   23 o   57.209   2.3436   25.852   2.0960   25.852   2.0960   25.852   2.0960   57.209   2.3436   57.209   2.3436 0.000000 0.000000 
1 1 1    0    6   24 f   11.503   7.1510   0.7410   2.5967   0.7410   2.5967   0.7410   2.5967   11.503   7.1510   11.503   7.1510 0.000000 0.000000 
1 1 1    0    6   25 o   53.446   3.7104   22.890   3.0770   22.890   3.0770   22.890   3.0770   53.446   3.7104   53.446   3.7104 0.000000 0.000000 
1 1 1    0    6   26 o   92.905   2.7537   68.246   4.0068   68.246   4.0068   68.246   4.0068   92.905   2.7537   92.905   2.7537 0.000000 0.000000 
1 1 1    0    6   27 o   18.056   8.3074   3.9023   2.5804   3.9023   2.5804   3.9023   2.5804   18.056   8.3074   18.056   8.3074 0.000000 0.000000 
1 1 1    0    6   28 o   15.294   8.1057   2.8591   2.6138   2.8591   2.6138   2.8591   2.6138   15.294   8.1057   15.294   8.1057 -0.000000 0.000000 
1 1 1    0    6   29 o   30.470   6.2476   8.4180   2.6403   8.4180   2.6403   8.4180   2.6403   30.470   6.2476   30.470   6.2476 -0.000000 0.000000 
1 1 1    0    6   30 o   24.439   7.3539   6.1253   2.4579   6.1253   2.4579   6.1253   2.4579   24.439   7.3539   24.439   7.3539 -0.000000 0.000000 
1 1 1    0    6   31 o   13.124   8.1951   1.6681   3.4494   1.6681   3.4494   1.6681   3.4494   13.124   8.1951   13.124   8.1951 -0.000000 0.000000 
1 1 1    0    6   32 o   16.084   8.8071   3.7737   3.1816   3.7737   3.1816   3.7737   3.1816   16.084   8.8071   16.084   8.8071 0.000000 0.000000 
1 1 1    0    6   33 o   8.9326   5.7491   0.3742   1.8525   0.3742   1.8525   0.3742   1.8525   8.9326   5.7491   8.9326   5.7491 0.000000 0.000000 
1 1 1    0    6   34 o   17.083   6.4086   3.4842   1.6039   3.4842   1.6039   3.4842   1.6039   17.083   6.4086   17.083   6.4086 0.000000 0.000000 
1 1 1    0    7    1 o  115.885   2.0518  105.479   3.7288  105.479   3.7288  105.479   3.7288  115.885   2.0518  115.885   2.0518 0.000000 0.000000 
1 1 1    0    7    2 o   51.312   2.0431   20.759   1.6393   20.759   1.6393   20.759   1.6393   51.312   2.0431   51.312   2.0431 0.000000 0.000000 
1 1 1    0    7    3 o  174.911   1.6757  240.132   4.5987  240.132   4.5987  240.132   4.5987  174.911   1.6757  174.911   1.6757 -0.000000 0.000000 
1 1 1    0    7    4 f  546.581   3.1168  2344.81   26.733  2344.81   26.733  2344.81   26.733  546.581   3.1168  546.581   3.1168 0.000000 0.000000 
1 1 1    0    7    5 o  208.724   1.7727  341.937   5.8055  341.937   5.8055  341.937   5.8055  208.724   1.7727  208.724   1.7727 0.000000 0.000000 
1 1 1    0    7    6 o  365.703   2.3194  1049.66   13.310  1049.66   13.310  1049.66   13.310  365.703   2.3194  365.703   2.3194 -0.000000 0.000000 
1 1 1    0    7    7 o  148.318   1.6766  172.691   3.9013  172.691   3.9013  172.691   3.9013  148.318   1.6766  148.318   1.6766 0.000000 0.000000 
1 1 1    0    7    8 o   73.628   2.0777   42.643   2.3963   42.643   2.3963   42.643   2.3963   73.628   2.0777   73.628   2.0777 -0.000000 0.000000 
1 1 1    0    7    9 o  105.193   1.9003   86.918   3.1346   86.918   3.1346   86.918   3.1346  105.193   1.9003  105.193   1.9003 0.000000 0.000000 
1 1 1    0    7   10 o  350.787   2.6245  965.825   14.446  965.825   14.446  965.825   14.446  350.787   2.6245  350.787   2.6245 -0.000000 0.000000 
1 1 1    0    7   11 o   98.397   2.1277   76.083   3.2820   76.083   3.2820   76.083   3.2820   98.397   2.1277   98.397   2.1277 -0.000000 0.000000 
1 1 1    0    7   12 o  281.386   2.3354  621.452   10.311  621.452   10.311  621.452   10.311  281.386   2.3354  281.386   2.3354 0.000000 0.000000 
1 1 1    0    7   13 o  148.072   2.2107  172.167   5.1343  172.167   5.1343  172.167   5.1343  148.072   2.2107  148.072   2.2107 -0.000000 0.000000 
1 1 1    0    7   14 o  455.368   3.8619  1627.93   27.593  1627.93   27.593  1627.93   27.593  455.368   3.8619  455.368   3.8619 -0.000000 0.000000 
1 1 1    0    7   15 o  717.801   5.5862  4046.70   62.918  4046.70   62.918  4046.70   62.918  717.801   5.5862  717.801   5.5862 -0.000000 0.000000 
1 1 1    0    7   16 o   17.314   8.5783   3.4688   2.8070   3.4688   2.8070   3.4688   2.8070   17.314   8.5783   17.314   8.5783 -0.000000 0.000000 
1 1 1    0    7   17 o  135.057   2.1673  143.273   4.5907  143.273   4.5907  143.273   4.5907  135.057   2.1673  135.057   2.1673 0.000000 0.000000 
1 1 1    0    7   18 o  132.428   1.8152  137.724   3.7708  137.724   3.7708  137.724   3.7708  132.428   1.8152  132.428   1.8152 0.000000 0.000000 
1 1 1    0    7   19 o   34.796   3.6168   9.8193   1.9217   9.8193   1.9217   9.8193   1.9217   34.796   3.6168   34.796   3.6168 0.000000 0.000000 
1 1 1    0    7   20 o   29.131   4.1552   7.0699   1.7879   7.0699   1.7879   7.0699   1.7879   29.131   4.1552   29.131   4.1552 0.000000 0.000000 
1 1 1    0    7   21 o   47.089   2.6062   17.582   1.9123   17.582   1.9123   17.582   1.9123   47.089   2.6062   47.089   2.6062 0.000000 0.000000 
1 1 1    0    7   22 o   39.847   2.9354   12.688   1.8122   12.688   1.8122   12.688   1.8122   39.847   2.9354   39.847   2.9354 0.000000 0.000000 
1 1 1    0    7   23 o   4.4842   3.2707  -3.1912   1.3684  -3.1912   1.3684  -3.1912   1.3684   4.4842   3.2707   4.4842   3.2707 0.000000 0.000000 
1 1 1    0    7   24 o   20.287   4.9399   3.7741   1.3626   3.7741   1.3626   3.7741   1.3626   20.287   4.9399   20.287   4.9399 -0.000000 0.000000 
1 1 1    0    7   25 o   99.632   1.8612   78.119   2.9077   78.119   2.9077   78.119   2.9077   99.632   1.8612   99.632   1.8612 0.000000 0.000000 
1 1 1    0    7   26 o   35.034   6.5863   10.829   3.2472   10.829   3.2472   10.829   3.2472   35.034   6.5863   35.034   6.5863 -0.000000 0.000000 
1 1 1    0    7   27 o   51.230   5.4596   21.792   4.2639   21.792   4.2639   21.792   4.2639   51.230   5.4596   51.230   5.4596 0.000000 0.000000 
1 1 1    0    7   28 o   14.601   8.7019   2.1768   3.5076   2.1768   3.5076   2.1768   3.5076   14.601   8.7019   14.601   8.7019 -0.000000 0.000000 
1 1 1    0    7   29 o   15.562   9.0271   2.8520   3.6030   2.8520   3.6030   2.8520   3.6030   15.562   9.0271   15.562   9.0271 -0.000000 0.000000 
1 1 1    0    7   30 o   7.4443   5.2763  -2.9830   2.5719  -2.9830   2.5719  -2.9830   2.5719   7.4443   5.2763   7.4443   5.2763 -0.000000 0.000000 
1 1 1    0    7   31 o   20.231   8.3565   5.0598   2.6319   5.0598   2.6319   5.0598   2.6319   20.231   8.3565   20.231   8.3565 0.000000 0.000000 
1 1 1    0    7   32 o   16.416   8.1078   3.7207   2.5042   3.7207   2.5042   3.7207   2.5042   16.416   8.1078   16.416   8.1078 0.000000 0.000000 
1 1 1    0    7   33 o   9.9030   6.3826   0.5786   2.2937   0.5786   2.2937   0.5786   2.2937   9.9030   6.3826   9.9030   6.3826 0.000000 0.000000 
1 1 1    0    7   34 o   8.9907   6.2808  -1.5032   3.2560  -1.5032   3.2560  -1.5032   3.2560   8.9907   6.2808   8.9907   6.2808 -0.000000 0.000000 
1 1 1    0    8    0 o  264.418   3.9062  549.042   16.201  549.042   16.201  549.042   16.201  264.418   3.9062  264.418   3.9062 0.000000 0.000000 
1 1 1    0    8    1 o  236.852   3.0264  440.475   11.245  440.475   11.245  440.475   11.245  236.852   3.0264  236.852   3.0264 -0.000000 0.000000 
1 1 1    0    8    2 o  407.520   2.8932  1303.51   18.501  1303.51   18.501  1303.51   18.501  407.520   2.8932  407.520   2.8932 0.000000 0.000000 
1 1 1    0    8    3 o  153.159   2.8397  184.283   6.8201  184.283   6.8201  184.283   6.8201  153.159   2.8397  153.159   2.8397 -0.000000 0.000000 
1 1 1    0    8    4 o   75.127   2.1899   44.404   2.5769   44.404   2.5769   44.404   2.5769   75.127   2.1899   75.127   2.1899 -0.000000 0.000000 
1 1 1    0    8    5 o  196.727   2.0494  303.805   6.3253  303.805   6.3253  303.805   6.3253  196.727   2.0494  196.727   2.0494 -0.000000 0.000000 
1 1 1    0    8    6 o  265.427   1.9727  552.951   8.2161  552.951   8.2161  552.951   8.2161  265.427   1.9727  265.427   1.9727 -0.000000 0.000000 
1 1 1    0    8    7 o   21.583   5.9263   4.3910   1.7354   4.3910   1.7354   4.3910   1.7354   21.583   5.9263   21.583   5.9263 -0.000000 0.000000 
1 1 1    0    8    8 o  116.709   1.8039  106.963   3.3021  106.963   3.3021  106.963   3.3021  116.709   1.8039  116.709   1.8039 0.000000 0.000000 
1 1 1    0    8    9 o  370.572   2.3737  1077.77   13.803  1077.77   13.803  1077.77   13.803  370.572   2.3737  370.572   2.3737 -0.000000 0.000000 
1 1 1    0    8   10 o  378.886   2.4127  1126.66   14.344  1126.66   14.344  1126.66   14.344  378.886   2.4127  378.886   2.4127 -0.000000 0.000000 
1 1 1    0    8   11 o   63.143   2.5116   31.435   2.4798   31.435   2.4798   31.435   2.4798   63.143   2.5116   63.143   2.5116 0.000000 0.000000 
1 1 1    0    8   12 o  278.021   2.0537  606.643   8.9590  606.643   8.9590  606.643   8.9590  278.021   2.0537  278.021   2.0537 0.000000 0.000000 
1 1 1    0    8   13 o  346.336   2.3030  941.401   12.515  941.401   12.515  941.401   12.515  346.336   2.3030  346.336   2.3030 0.000000 0.000000 
1 1 1    0    8   14 o  610.886   3.4563  2929.31   33.132  2929.31   33.132  2929.31   33.132  610.886   3.4563  610.886   3.4563 -0.000000 0.000000 
1 1 1    0    8   15 o  337.208   2.2787  892.479   12.057  892.479   12.057  892.479   12.057  337.208   2.2787  337.208   2.2787 -0.000000 0.000000 
1 1 1    0    8   16 o   73.847   2.5438   42.955   2.9401   42.955   2.9401   42.955   2.9401   73.847   2.5438   73.847   2.5438 -0.000000 0.000000 
1 1 1    0    8   17 o   20.443   7.4562   4.3775   2.2027   4.3775   2.2027   4.3775   2.2027   20.443   7.4562   20.443   7.4562 0.000000 0.000000 
1 1 1    0    8   18 o  114.527   2.1765  103.083   3.9087  103.083   3.9087  103.083   3.9087  114.527   2.1765  114.527   2.1765 -0.000000 0.000000 
1 1 1    0    8   19 o   58.005   2.6538   26.591   2.4041   26.591   2.4041   26.591   2.4041   58.005   2.6538   58.005   2.6538 0.000000 0.000000 
1 1 1    0    8   20 o   45.733   3.3260   16.702   2.3574   16.702   2.3574   16.702   2.3574   45.733   3.3260   45.733   3.3260 -0.000000 0.000000 
1 1 1    0    8   21 o  122.554   2.1994  118.095   4.2268  118.095   4.2268  118.095   4.2268  122.554   2.1994  122.554   2.1994 0.000000 0.000000 
1 1 1    0    8   22 o   98.927   3.1130   77.229   4.8220   77.229   4.8220   77.229   4.8220   98.927   3.1130   98.927   3.1130 -0.000000 0.000000 
1 1 1    0    8   23 o   18.059   6.6680   3.4593   1.7502   3.4593   1.7502   3.4593   1.7502   18.059   6.6680   18.059   6.6680 -0.000000 0.000000 
1 1 1    0    8   24 o   64.688   2.1755   33.017   2.2028   33.017   2.2028   33.017   2.2028   64.688   2.1755   64.688   2.1755 -0.000000 0.000000 
1 1 1    0    8   25 o   53.799   2.3729   22.919   1.9944   22.919   1.9944   22.919   1.9944   53.799   2.3729   53.799   2.3729 -0.000000 0.000000 
1 1 1    0    8   26 f   31.038   3.2392   7.8603   1.5348   7.8603   1.5348   7.8603   1.5348   31.038   3.2392   31.038   3.2392 -0.000000 0.000000 
1 1 1    0    8   27 o   39.400   3.6556   12.636   2.2131   12.636   2.2131   12.636   2.2131   39.400   3.6556   39.400   3.6556 -0.000000 0.000000 
1 1 1    0    8   28 o   7.7222   5.4608  -3.1376   2.7021  -3.1376   2.7021  -3.1376   2.7021   7.7222   5.4608   7.7222   5.4608 -0.000000 0.000000 
1 1 1    0    8   29 o   31.707   7.2739   9.4803   3.1518   9.4803   3.1518   9.4803   3.1518   31.707   7.2739   31.707   7.2739 0.000000 0.000000 
1 1 1    0    8   30 o   32.561   6.8770   9.9724   3.0920   9.9724   3.0920   9.9724   3.0920   32.561   6.8770   32.561   6.8770 -0.000000 0.000000 
1 1 1    0    8   31 o   20.283   8.8083   5.3357   2.8995   5.3357   2.8995   5.3357   2.8995   20.283   8.8083   20.283   8.8083 0.000000 0.000000 
1 1 1    0    8   32 o   7.5761   5.3817  -2.9873   2.7286  -2.9873   2.7286  -2.9873   2.7286   7.5761   5.3817   7.5761   5.3817 0.000000 0.000000 
1 1 1    0    8   33 o   6.7638   4.9428  -6.6022   3.2204  -6.6022   3.2204  -6.6022   3.2204   6.7638   4.9428   6.7638   4.9428 0.000000 0.000000 
1 1 1    0    8   34 o   7.9816   5.5161  -0.9243   2.3395  -0.9243   2.3395  -0.9243   2.3395   7.9816   5.5161   7.9816   5.5161 -0.000000 0.000000 
1 1 1    0    9    1 o  114.406   1.7450  102.780   3.1312  102.780   3.1312  102.780   3.1312  114.406   1.7450  114.406   1.7450 -0.000000 0.000000 
1 1 1    0    9    2 o   26.860   4.2484   6.0714   1.6569   6.0714   1.6569   6.0714   1.6569   26.860   4.2484   26.860   4.2484 -0.000000 0.000000 
1 1 1    0    9    3 o  355.787   2.3170  993.519   12.936  993.519   12.936  993.519   12.936  355.787   2.3170  355.787   2.3170 -0.000000 0.000000 
1 1 1    0    9    4 o   29.500   4.0088   7.1999   1.7591   7.1999   1.7591   7.1999   1.7591   29.500   4.0088   29.500   4.0088 0.000000 0.000000 
1 1 1    0    9    5 o   31.042   3.9967   7.9320   1.8584   7.9320   1.8584   7.9320   1.8584   31.042   3.9967   31.042   3.9967 -0.000000 0.000000 
1 1 1    0    9    6 o  100.890   2.1959   79.993   3.4730   79.993   3.4730   79.993   3.4730  100.890   2.1959  100.890   2.1959 -0.000000 0.000000 
1 1 1    0    9    7 o  354.939   2.9478  988.942   16.417  988.942   16.417  988.942   16.417  354.939   2.9478  354.939   2.9478 -0.000000 0.000000 
1 1 1    0    9    8 o   9.1031   6.0181  -0.5399   2.2353  -0.5399   2.2353  -0.5399   2.2353   9.1031   6.0181   9.1031   6.0181 0.000000 0.000000 
1 1 1    0    9    9 o  125.015   2.6653  122.814   5.2235  122.814   5.2235  122.814   5.2235  125.015   2.6653  125.015   2.6653 0.000000 0.000000 
1 1 1    0    9   10 o   60.401   3.1298   28.861   2.9484   28.861   2.9484   28.861   2.9484   60.401   3.1298   60.401   3.1298 0.000000 0.000000 
1 1 1    0    9   11 o  157.366   2.3926  194.464   5.9056  194.464   5.9056  194.464   5.9056  157.366   2.3926  157.366   2.3926 -0.000000 0.000000 
1 1 1    0    9   12 o  355.056   2.7281  989.478   15.199  989.478   15.199  989.478   15.199  355.056   2.7281  355.056   2.7281 -0.000000 0.000000 
1 1 1    0    9   13 o  151.115   2.1144  179.306   5.0120  179.306   5.0120  179.306   5.0120  151.115   2.1144  151.115   2.1144 0.000000 0.000000 
1 1 1    0    9   14 o  202.091   2.2429  320.617   7.1111  320.617   7.1111  320.617   7.1111  202.091   2.2429  202.091   2.2429 0.000000 0.000000 
1 1 1    0    9   15 o  297.879   2.1679  696.468   10.133  696.468   10.133  696.468   10.133  297.879   2.1679  297.879   2.1679 -0.000000 0.000000 
1 1 1    0    9   16 o  218.591   1.9762  375.098   6.7777  375.098   6.7777  375.098   6.7777  218.591   1.9762  218.591   1.9762 -0.000000 0.000000 
1 1 1    0    9   17 o  175.001   1.9265  240.469   5.2892  240.469   5.2892  240.469   5.2892  175.001   1.9265  175.001   1.9265 0.000000 0.000000 
1 1 1    0    9   18 o   17.975   7.9161   3.6658   2.3397   3.6658   2.3397   3.6658   2.3397   17.975   7.9161   17.975   7.9161 0.000000 0.000000 
1 1 1    0    9   19 o   14.511   7.4939   2.4346   2.1914   2.4346   2.1914   2.4346   2.1914   14.511   7.4939   14.511   7.4939 0.000000 0.000000 
1 1 1    0    9   20 o   45.617   3.4437   16.644   2.4322   16.644   2.4322   16.644   2.4322   45.617   3.4437   45.617   3.4437 -0.000000 0.000000 
1 1 1    0    9   21 o   97.066   2.1598   74.126   3.2862   74.126   3.2862   74.126   3.2862   97.066   2.1598   97.066   2.1598 -0.000000 0.000000 
1 1 1    0    9   22 o   82.727   3.6264   54.225   4.6873   54.225   4.6873   54.225   4.6873   82.727   3.6264   82.727   3.6264 -0.000000 0.000000 
1 1 1    0    9   23 o   71.427   2.3276   40.243   2.6027   40.243   2.6027   40.243   2.6027   71.427   2.3276   71.427   2.3276 -0.000000 0.000000 
1 1 1    0    9   24 o   44.198   3.7573   15.765   2.5611   15.765   2.5611   15.765   2.5611   44.198   3.7573   44.198   3.7573 -0.000000 0.000000 
1 1 1    0    9   25 o   49.165   3.3752   19.374   2.5754   19.374   2.5754   19.374   2.5754   49.165   3.3752   49.165   3.3752 -0.000000 0.000000 
1 1 1    0    9   26 o   11.330   6.4500   1.3817   1.7890   1.3817   1.7890   1.3817   1.7890   11.330   6.4500   11.330   6.4500 -0.000000 0.000000 
1 1 1    0    9   27 f   62.679   2.2277   31.095   2.1850   31.095   2.1850   31.095   2.1850   62.679   2.2277   62.679   2.2277 -0.000000 0.000000 
1 1 1    0    9   28 o   5.4142   3.8259  -1.5680   1.3183  -1.5680   1.3183  -1.5680   1.3183   5.4142   3.8259   5.4142   3.8259 -0.000000 0.000000 
1 1 1    0    9   29 o   33.388   7.5984   10.600   3.4699   10.600   3.4699   10.600   3.4699   33.388   7.5984   33.388   7.5984 0.000000 0.000000 
1 1 1    0    9   30 o   9.2135   6.3605  -1.7594   3.0898  -1.7594   3.0898  -1.7594   3.0898   9.2135   6.3605   9.2135   6.3605 0.000000 0.000000 
1 1 1    0    9   31 o   25.595   8.8592   7.6397   3.2081   7.6397   3.2081   7.6397   3.2081   25.595   8.8592   25.595   8.8592 -0.000000 0.000000 
1 1 1    0    9   32 o   7.8806   5.5963  -3.0952   2.9423  -3.0952   2.9423  -3.0952   2.9423   7.8806   5.5963   7.8806   5.5963 -0.000000 0.000000 
1 1 1    0    9   33 o   18.590   8.8527   5.1961   2.9488   5.1961   2.9488   5.1961   2.9488   18.590   8.8527   18.590   8.8527 0.000000 0.000000 
1 1 1    0    9   34 o   10.177   6.7138   0.7999   2.7582   0.7999   2.7582   0.7999   2.7582   10.177   6.7138   10.177   6.7138 -0.000000 0.000000 
1 1 1    0   10    0 f  108.324   3.0045   92.296   5.0986   92.296   5.0986   92.296   5.0986  108.324   3.0045  108.324   3.0045 0.000000 0.000000 
1 1 1    0   10    1 o  183.357   1.8144  263.900   5.2197  263.900   5.2197  263.900   5.2197  183.357   1.8144  183.357   1.8144 0.000000 0.000000 
1 1 1    0   10    2 o   71.976   2.1950   40.768   2.4741   40.768   2.4741   40.768   2.4741   71.976   2.1950   71.976   2.1950 -0.000000 0.000000 
1 1 1    0   10    3 o  343.189   2.2942  924.419   12.355  924.419   12.355  924.419   12.355  343.189   2.2942  343.189   2.2942 0.000000 0.000000 
1 1 1    0   10    4 o  569.331   3.2665  2544.38   29.182  2544.38   29.182  2544.38   29.182  569.331   3.2665  569.331   3.2665 0.000000 0.000000 
1 1 1    0   10    5 o   55.326   3.1512   24.257   2.7155   24.257   2.7155   24.257   2.7155   55.326   3.1512   55.326   3.1512 0.000000 0.000000 
1 1 1    0   10    6 o  145.760   1.8626  166.801   4.2589  166.801   4.2589  166.801   4.2589  145.760   1.8626  145.760   1.8626 0.000000 0.000000 
1 1 1    0   10    7 o   66.802   2.9657   35.228   3.0950   35.228   3.0950   35.228   3.0950   66.802   2.9657   66.802   2.9657 -0.000000 0.000000 
1 1 1    0   10    8 o  197.086   1.9134  304.887   5.9165  304.887   5.9165  304.887   5.9165  197.086   1.9134  197.086   1.9134 -0.000000 0.000000 
1 1 1    0   10    9 o  140.725   2.2416  155.519   4.9475  155.519   4.9475  155.519   4.9475  140.725   2.2416  140.725   2.2416 0.000000 0.000000 
1 1 1    0   10   10 o  321.871   2.2516  813.092   11.372  813.092   11.372  813.092   11.372  321.871   2.2516  321.871   2.2516 -0.000000 0.000000 
1 1 1    0   10   11 o   85.733   2.8136   57.868   3.7762   57.868   3.7762   57.868   3.7762   85.733   2.8136   85.733   2.8136 -0.000000 0.000000 
1 1 1    0   10   12 o   23.540   7.8591   5.5919   2.5870   5.5919   2.5870   5.5919   2.5870   23.540   7.8591   23.540   7.8591 0.000000 0.000000 
1 1 1    0   10   13 o  113.256   2.4534  100.803   4.3560  100.803   4.3560  100.803   4.3560  113.256   2.4534  113.256   2.4534 0.000000 0.000000 
1 1 1    0   10   14 o  612.937   3.4924  2949.36   33.590  2949.36   33.590  2949.36   33.590  612.937   3.4924  612.937   3.4924 -0.000000 0.000000 
1 1 1    0   10   15 o   14.146   7.8181   2.1646   2.5327   2.1646   2.5327   2.1646   2.5327   14.146   7.8181   14.146   7.8181 0.000000 0.000000 
1 1 1    0   10   16 o  195.383   1.9706  299.714   6.0408  299.714   6.0408  299.714   6.0408  195.383   1.9706  195.383   1.9706 0.000000 0.000000 
1 1 1    0   10   17 o  107.185   2.7349   90.396   4.5934   90.396   4.5934   90.396   4.5934  107.185   2.7349  107.185   2.7349 0.000000 0.000000 
1 1 1    0   10   18 o  123.185   2.4210  119.305   4.6761  119.305   4.6761  119.305   4.6761  123.185   2.4210  123.185   2.4210 -0.000000 0.000000 
1 1 1    0   10   19 o   51.145   3.9687   20.950   3.1400   20.950   3.1400   20.950   3.1400   51.145   3.9687   51.145   3.9687 0.000000 0.000000 
1 1 1    0   10   20 o  158.115   2.3508  196.544   5.8302  196.544   5.8302  196.544   5.8302  158.115   2.3508  158.115   2.3508 0.000000 0.000000 
1 1 1    0   10   21 o  169.857   2.0251  226.740   5.3962  226.740   5.3962  226.740   5.3962  169.857   2.0251  169.857   2.0251 -0.000000 0.000000 
1 1 1    0   10   22 o   25.276   7.5645   6.2630   2.6129   6.2630   2.6129   6.2630   2.6129   25.276   7.5645   25.276   7.5645 -0.000000 0.000000 
1 1 1    0   10   23 o   54.114   3.4576   23.376   2.9084   23.376   2.9084   23.376   2.9084   54.114   3.4576   54.114   3.4576 0.000000 0.000000 
1 1 1    0   10   24 o   34.161   4.7934   9.7904   2.4246   9.7904   2.4246   9.7904   2.4246   34.161   4.7934   34.161   4.7934 -0.000000 0.000000 
1 1 1    0   10   25 o   13.841   7.4355   2.2525   2.2255   2.2525   2.2255   2.2525   2.2255   13.841   7.4355   13.841   7.4355 0.000000 0.000000 
1 1 1    0   10   26 o   11.760   7.0113   1.2877   2.2787   1.2877   2.2787   1.2877   2.2787   11.760   7.0113   11.760   7.0113 -0.000000 0.000000 
1 1 1    0   10   27 o   52.987   4.0090   22.774   3.2886   22.774   3.2886   22.774   3.2886   52.987   4.0090   52.987   4.0090 -0.000000 0.000000 
1 1 1    0   10   28 o   25.695   5.2526   5.9328   1.8728   5.9328   1.8728   5.9328   1.8728   25.695   5.2526   25.695   5.2526 -0.000000 0.000000 
1 1 1    0   10   29 o   18.623   6.3382   3.6841   1.6604   3.6841   1.6604   3.6841   1.6604   18.623   6.3382   18.623   6.3382 -0.000000 0.000000 
1 1 1    0   10   30 o   6.9146   4.6021  -0.2782   1.3439  -0.2782   1.3439  -0.2782   1.3439   6.9146   4.6021   6.9146   4.6021 0.000000 0.000000 
1 1 1    0   10   31 o   15.640   8.8364   3.5910   3.3238   3.5910   3.3238   3.5910   3.3238   15.640   8.8364   15.640   8.8364 0.000000 0.000000 
1 1 1    0   10   32 o   14.024   8.3324   2.8051   3.1980   2.8051   3.1980   2.8051   3.1980   14.024   8.3324   14.024   8.3324 0.000000 0.000000 
1 1 1    0   10   33 o   6.5516   4.7804  -5.5973   2.9407  -5.5973   2.9407  -5.5973   2.9407   6.5516   4.7804   6.5516   4.7804 -0.000000 0.000000 
1 1 1    0   11    1 o  115.831   2.0572  105.388   3.7368  105.388   3.7368  105.388   3.7368  115.831   2.0572  115.831   2.0572 0.000000 0.000000 
1 1 1    0   11    2 o   49.274   3.0635   19.276   2.3476   19.276   2.3476   19.276   2.3476   49.274   3.0635   49.274   3.0635 -0.000000 0.000000 
1 1 1    0   11    3 o  448.440   2.7399  1578.40   19.280  1578.40   19.280  1578.40   19.280  448.440   2.7399  448.440   2.7399 -0.000000 0.000000 
1 1 1    0   11    4 o  170.043   1.9155  226.987   5.1099  226.987   5.1099  226.987   5.1099  170.043   1.9155  170.043   1.9155 -0.000000 0.000000 
1 1 1    0   11    5 o   21.177   7.4690   4.6252   2.2535   4.6252   2.2535   4.6252   2.2535   21.177   7.4690   21.177   7.4690 -0.000000 0.000000 
1 1 1    0   11    6 o  224.932   1.9909  397.115   7.0263  397.115   7.0263  397.115   7.0263  224.932   1.9909  224.932   1.9909 0.000000 0.000000 
1 1 1    0   11    7 o   93.867   3.2247   69.393   4.7375   69.393   4.7375   69.393   4.7375   93.867   3.2247   93.867   3.2247 -0.000000 0.000000 
1 1 1    0   11    8 o  177.590   1.9684  247.572   5.4843  247.572   5.4843  247.572   5.4843  177.590   1.9684  177.590   1.9684 0.000000 0.000000 
1 1 1    0   11    9 o   31.417   7.3397   8.9047   3.1455   8.9047   3.1455   8.9047   3.1455   31.417   7.3397   31.417   7.3397 -0.000000 0.000000 
1 1 1    0   11   10 o  169.686   2.3119  226.076   6.1536  226.076   6.1536  226.076   6.1536  169.686   2.3119  169.686   2.3119 -0.000000 0.000000 
1 1 1    0   11   11 o  118.889   2.4480  111.063   4.5629  111.063   4.5629  111.063   4.5629  118.889   2.4480  118.889   2.4480 0.000000 0.000000 
1 1 1    0   11   12 o  159.278   2.3403  199.219   5.8468  199.219   5.8468  199.219   5.8468  159.278   2.3403  159.278   2.3403 -0.000000 0.000000 
1 1 1    0   11   13 o  161.772   2.3685  205.513   6.0101  205.513   6.0101  205.513   6.0101  161.772   2.3685  161.772   2.3685 -0.000000 0.000000 
1 1 1    0   11   14 f  132.675   2.4649  138.299   5.1280  138.299   5.1280  138.299   5.1280  132.675   2.4649  132.675   2.4649 0.000000 0.000000 
1 1 1    0   11   15 o   82.470   3.0174   53.613   3.8933   53.613   3.8933   53.613   3.8933   82.470   3.0174   82.470   3.0174 0.000000 0.000000 
1 1 1    0   11   16 o   86.888   2.6767   59.448   3.6419   59.448   3.6419   59.448   3.6419   86.888   2.6767   86.888   2.6767 -0.000000 0.000000 
1 1 1    0   11   17 o  189.630   2.1563  282.438   6.4150  282.438   6.4150  282.438   6.4150  189.630   2.1563  189.630   2.1563 0.000000 0.000000 
1 1 1    0   11   18 f   71.145   2.7496   39.943   3.0594   39.943   3.0594   39.943   3.0594   71.145   2.7496   71.145   2.7496 -0.000000 0.000000 
1 1 1    0   11   19 o   58.337   3.2431   27.007   2.9478   27.007   2.9478   27.007   2.9478   58.337   3.2431   58.337   3.2431 -0.000000 0.000000 
1 1 1    0   11   20 o   27.293   7.2855   7.0182   2.6961   7.0182   2.6961   7.0182   2.6961   27.293   7.2855   27.293   7.2855 -0.000000 0.000000 
1 1 1    0   11   21 o   16.934   8.3924   3.3815   2.6870   3.3815   2.6870   3.3815   2.6870   16.934   8.3924   16.934   8.3924 0.000000 0.000000 
1 1 1    0   11   22 o   43.098   4.0197   15.038   2.6612   15.038   2.6612   15.038   2.6612   43.098   4.0197   43.098   4.0197 0.000000 0.000000 
1 1 1    0   11   23 o   19.356   8.6696   4.3754   2.8055   4.3754   2.8055   4.3754   2.8055   19.356   8.6696   19.356   8.6696 -0.000000 0.000000 
1 1 1    0   11   24 f   54.263   3.7513   23.640   3.1588   23.640   3.1588   23.640   3.1588   54.263   3.7513   54.263   3.7513 0.000000 0.000000 
1 1 1    0   11   25 o   69.034   3.1632   37.926   3.4104   37.926   3.4104   37.926   3.4104   69.034   3.1632   69.034   3.1632 -0.000000 0.000000 
1 1 1    0   11   26 o   21.554   7.5250   4.9310   2.3019   4.9310   2.3019   4.9310   2.3019   21.554   7.5250   21.554   7.5250 0.000000 0.000000 
1 1 1    0   11   27 o   5.5209   4.0264  -4.6886   2.0707  -4.6886   2.0707  -4.6886   2.0707   5.5209   4.0264   5.5209   4.0264 -0.000000 0.000000 
1 1 1    0   11   28 o   49.705   3.0717   19.872   2.3748   19.872   2.3748   19.872   2.3748   49.705   3.0717   49.705   3.0717 -0.000000 0.000000 
1 1 1    0   11   29 o   19.067   8.0230   4.4185   2.4163   4.4185   2.4163   4.4185   2.4163   19.067   8.0230   19.067   8.0230 -0.000000 0.000000 
1 1 1    0   11   30 o   9.2486   5.7567   0.6605   1.6882   0.6605   1.6882   0.6605   1.6882   9.2486   5.7567   9.2486   5.7567 0.000000 0.000000 
1 1 1    0   11   31 o   8.9601   5.4592   0.7600   1.4438   0.7600   1.4438   0.7600   1.4438   8.9601   5.4592   8.9601   5.4592 0.000000 0.000000 
1 1 1    0   11   32 o   12.393   7.8634   1.7242   3.3178   1.7242   3.3178   1.7242   3.3178   12.393   7.8634   12.393   7.8634 0.000000 0.000000 
1 1 1    0   11   33 o   8.2974   6.0625  -7.7305   4.8316  -7.7305   4.8316  -7.7305   4.8316   8.2974   6.0625   8.2974   6.0625 -0.000000 0.000000 
1 1 1    0   12    0 o  357.556   4.7956  1003.94   26.898  1003.94   26.898  1003.94   26.898  357.556   4.7956  357.556   4.7956 -0.000000 0.000000 
1 1 1    0   12    1 o  105.648   2.4506   87.732   4.0580   87.732   4.0580   87.732   4.0580  105.648   2.4506  105.648   2.4506 0.000000 0.000000 
1 1 1    0   12    2 o  215.480   2.3191  364.494   7.8402  364.494   7.8402  364.494   7.8402  215.480   2.3191  215.480   2.3191 -0.000000 0.000000 
1 1 1    0   12    3 o  175.609   2.2566  242.121   6.2164  242.121   6.2164  242.121   6.2164  175.609   2.2566  175.609   2.2566 0.000000 0.000000 
1 1 1    0   12    4 o  197.791   2.2919  307.119   7.1116  307.119   7.1116  307.119   7.1116  197.791   2.2919  197.791   2.2919 -0.000000 0.000000 
1 1 1    0   12    5 o  144.310   2.3221  163.549   5.2557  163.549   5.2557  163.549   5.2557  144.310   2.3221  144.310   2.3221 0.000000 0.000000 
1 1 1    0   12    6 o  230.755   2.0625  417.940   7.4673  417.940   7.4673  417.940   7.4673  230.755   2.0625  230.755   2.0625 0.000000 0.000000 
1 1 1    0   12    7 o  110.608   2.5777   96.161   4.4687   96.161   4.4687   96.161   4.4687  110.608   2.5777  110.608   2.5777 0.000000 0.000000 
1 1 1    0   12    8 o  254.542   2.4085  508.575   9.6191  508.575   9.6191  508.575   9.6191  254.542   2.4085  254.542   2.4085 -0.000000 0.000000 
1 1 1    0   12    9 o  297.950   3.1365  696.930   14.662  696.930   14.662  696.930   14.662  297.950   3.1365  297.950   3.1365 -0.000000 0.000000 
1 1 1    0   12   10 o   29.812   6.8750   7.9946   2.7994   7.9946   2.7994   7.9946   2.7994   29.812   6.8750   29.812   6.8750 -0.000000 0.000000 
1 1 1    0   12   11 o   71.422   2.9178   40.235   3.2580   40.235   3.2580   40.235   3.2580   71.422   2.9178   71.422   2.9178 0.000000 0.000000 
1 1 1    0   12   12 o  222.203   2.0983  387.573   7.3154  387.573   7.3154  387.573   7.3154  222.203   2.0983  222.203   2.0983 0.000000 0.000000 
1 1 1    0   12   13 o  185.909   2.0702  271.342   6.0381  271.342   6.0381  271.342   6.0381  185.909   2.0702  185.909   2.0702 0.000000 0.000000 
1 1 1    0   12   14 o   44.138   4.3232   15.738   2.9240   15.738   2.9240   15.738   2.9240   44.138   4.3232   44.138   4.3232 -0.000000 0.000000 
1 1 1    0   12   15 f  195.661   2.0708  300.609   6.3570  300.609   6.3570  300.609   6.3570  195.661   2.0708  195.661   2.0708 -0.000000 0.000000 
1 1 1    0   12   16 o   23.061   8.4637   5.6031   2.8287   5.6031   2.8287   5.6031   2.8287   23.061   8.4637   23.061   8.4637 0.000000 0.000000 
1 1 1    0   12   17 o   20.148   8.6259   4.5699   2.7852   4.5699   2.7852   4.5699   2.7852   20.148   8.6259   20.148   8.6259 0.000000 0.000000 
1 1 1    0   12   18 f   46.691   4.0907   17.549   2.9421   17.549   2.9421   17.549   2.9421   46.691   4.0907   46.691   4.0907 -0.000000 0.000000 
1 1 1    0   12   19 o   13.071   7.7114   1.5584   2.7040   1.5584   2.7040   1.5584   2.7040   13.071   7.7114   13.071   7.7114 -0.000000 0.000000 
1 1 1    0   12   20 o  126.566   2.3969  126.038   4.7570  126.038   4.7570  126.038   4.7570  126.566   2.3969  126.566   2.3969 0.000000 0.000000 
1 1 1    0   12   21 o   36.634   5.3582   11.278   2.8879   11.278   2.8879   11.278   2.8879   36.634   5.3582   36.634   5.3582 -0.000000 0.000000 
1 1 1    0   12   22 o   16.741   8.3302   3.3343   2.6521   3.3343   2.6521   3.3343   2.6521   16.741   8.3302   16.741   8.3302 -0.000000 0.000000 
1 1 1    0   12   23 o   15.020   7.8732   2.6741   2.4447   2.6741   2.4447   2.6741   2.4447   15.020   7.8732   15.020   7.8732 -0.000000 0.000000 
1 1 1    0   12   24 o   7.7931   5.4242  -2.0720   2.3682  -2.0720   2.3682  -2.0720   2.3682   7.7931   5.4242   7.7931   5.4242 0.000000 0.000000 
1 1 1    0   12   25 o   14.350   7.6680   2.4657   2.3555   2.4657   2.3555   2.4657   2.3555   14.350   7.6680   14.350   7.6680 -0.000000 0.000000 
1 1 1    0   12   26 o   46.079   3.6880   17.211   2.6264   17.211   2.6264   17.211   2.6264   46.079   3.6880   46.079   3.6880 -0.000000 0.000000 
1 1 1    0   12   27 o   12.464   7.6335   1.3321   2.8556   1.3321   2.8556   1.3321   2.8556   12.464   7.6335   12.464   7.6335 0.000000 0.000000 
1 1 1    0   12   28 o   9.0835   6.0123  -0.2986   2.2418  -0.2986   2.2418  -0.2986   2.2418   9.0835   6.0123   9.0835   6.0123 -0.000000 0.000000 
1 1 1    0   12   29 o   11.873   6.9122   1.6596   2.1245   1.6596   2.1245   1.6596   2.1245   11.873   6.9122   11.873   6.9122 0.000000 0.000000 
1 1 1    0   12   30 o   8.3774   5.5610  -0.1967   1.9406  -0.1967   1.9406  -0.1967   1.9406   8.3774   5.5610   8.3774   5.5610 0.000000 0.000000 
1 1 1    0   12   31 o   6.8748   4.8526  -2.0747   2.1017  -2.0747   2.1017  -2.0747   2.1017   6.8748   4.8526   6.8748   4.8526 0.000000 0.000000 
1 1 1    0   12   32 o   16.939   6.4945   3.4415   1.6307   3.4415   1.6307   3.4415   1.6307   16.939   6.4945   16.939   6.4945 0.000000 0.000000 
1 1 1    0   12   33 o   13.599   7.3831   2.9710   2.2164   2.9710   2.2164   2.9710   2.2164   13.599   7.3831   13.599   7.3831 -0.000000 0.000000 
1 1 1    0   13    1 o   89.020   2.4866   62.333   3.4676   62.333   3.4676   62.333   3.4676   89.020   2.4866   89.020   2.4866 0.000000 0.000000 
1 1 1    0   13    2 o  133.226   2.3837  139.417   4.9800  139.417   4.9800  139.417   4.9800  133.226   2.3837  133.226   2.3837 -0.000000 0.000000 
1 1 1    0   13    3 o  530.655   3.1467  2210.15   26.203  2210.15   26.203  2210.15   26.203  530.655   3.1467  530.655   3.1467 -0.000000 0.000000 
1 1 1    0   13    4 o  476.006   2.9246  1778.34   21.845  1778.34   21.845  1778.34   21.845  476.006   2.9246  476.006   2.9246 0.000000 0.000000 
1 1 1    0   13    5 o  182.920   2.1063  262.666   6.0444  262.666   6.0444  262.666   6.0444  182.920   2.1063  182.920   2.1063 0.000000 0.000000 
1 1 1    0   13    6 o   78.372   3.3232   48.463   4.0705   48.463   4.0705   48.463   4.0705   78.372   3.3232   78.372   3.3232 0.000000 0.000000 
1 1 1    0   13    7 o   70.988   3.6241   39.859   4.0132   39.859   4.0132   39.859   4.0132   70.988   3.6241   70.988   3.6241 -0.000000 0.000000 
1 1 1    0   13    8 o   18.781   9.4661   4.0718   3.4466   4.0718   3.4466   4.0718   3.4466   18.781   9.4661   18.781   9.4661 -0.000000 0.000000 
1 1 1    0   13    9 o   19.787   11.461   3.7692   5.7938   3.7692   5.7938   3.7692   5.7938   19.787   11.461   19.787   11.461 0.000000 0.000000 
1 1 1    0   13   10 o   24.450   9.9138   6.5415   3.7228   6.5415   3.7228   6.5415   3.7228   24.450   9.9138   24.450   9.9138 -0.000000 0.000000 
1 1 1    0   13   11 o  191.920   2.4792  289.213   7.4640  289.213   7.4640  289.213   7.4640  191.920   2.4792  191.920   2.4792 0.000000 0.000000 
1 1 1    0   13   12 o  143.515   2.5945  161.816   5.8391  161.816   5.8391  161.816   5.8391  143.515   2.5945  143.515   2.5945 0.000000 0.000000 
1 1 1    0   13   13 o   34.108   7.4797   10.363   3.5048   10.363   3.5048   10.363   3.5048   34.108   7.4797   34.108   7.4797 0.000000 0.000000 
1 1 1    0   13   14 o  159.634   2.1550  200.143   5.3963  200.143   5.3963  200.143   5.3963  159.634   2.1550  159.634   2.1550 0.000000 0.000000 
1 1 1    0   13   15 o  131.268   2.2686  135.410   4.6700  135.410   4.6700  135.410   4.6700  131.268   2.2686  131.268   2.2686 0.000000 0.000000 
1 1 1    0   13   16 o  132.300   2.4410  137.602   5.0640  137.602   5.0640  137.602   5.0640  132.300   2.4410  132.300   2.4410 -0.000000 0.000000 
1 1 1    0   13   17 o   21.420   9.2369   5.1954   3.1909   5.1954   3.1909   5.1954   3.1909   21.420   9.2369   21.420   9.2369 -0.000000 0.000000 
1 1 1    0   13   18 o   31.091   7.7413   8.9340   3.2682   8.9340   3.2682   8.9340   3.2682   31.091   7.7413   31.091   7.7413 -0.000000 0.000000 
1 1 1    0   13   19 o   47.078   4.8674   18.049   3.5002   18.049   3.5002   18.049   3.5002   47.078   4.8674   47.078   4.8674 -0.000000 0.000000 
1 1 1    0   13   20 o   25.401   9.0988   6.8068   3.3136   6.8068   3.3136   6.8068   3.3136   25.401   9.0988   25.401   9.0988 -0.000000 0.000000 
1 1 1    0   13   21 o   26.195   8.8311   7.0815   3.2443   7.0815   3.2443   7.0815   3.2443   26.195   8.8311   26.195   8.8311 0.000000 0.000000 
1 1 1    0   13   22 o   22.853   9.0036   5.7972   3.1001   5.7972   3.1001   5.7972   3.1001   22.853   9.0036   22.853   9.0036 -0.000000 0.000000 
1 1 1    0   13   23 o   10.413   6.8000  -0.1846   2.7239  -0.1846   2.7239  -0.1846   2.7239   10.413   6.8000   10.413   6.8000 0.000000 0.000000 
1 1 1    0   13   24 o   14.131   7.9191   2.2780   2.6416   2.2780   2.6416   2.2780   2.6416   14.131   7.9191   14.131   7.9191 -0.000000 0.000000 
1 1 1    0   13   25 o   51.029   4.4229   21.264   3.4781   21.264   3.4781   21.264   3.4781   51.029   4.4229   51.029   4.4229 0.000000 0.000000 
1 1 1    0   13   26 o   9.0328   6.0927  -0.9314   2.5014  -0.9314   2.5014  -0.9314   2.5014   9.0328   6.0927   9.0328   6.0927 -0.000000 0.000000 
1 1 1    0   13   27 o   30.363   6.0967   8.3594   2.5761   8.3594   2.5761   8.3594   2.5761   30.363   6.0967   30.363   6.0967 0.000000 0.000000 
1 1 1    0   13   28 o   10.494   6.6479   0.6493   2.3610   0.6493   2.3610   0.6493   2.3610   10.494   6.6479   10.494   6.6479 -0.000000 0.000000 
1 1 1    0   13   29 o   12.353   7.3946   1.7770   2.5542   1.7770   2.5542   1.7770   2.5542   12.353   7.3946   12.353   7.3946 0.000000 0.000000 
1 1 1    0   13   30 o   14.804   8.2161   3.1486   2.8105   3.1486   2.8105   3.1486   2.8105   14.804   8.2161   14.804   8.2161 -0.000000 0.000000 
1 1 1    0   13   31 o   10.106   6.2776   0.9876   1.9976   0.9876   1.9976   0.9876   1.9976   10.106   6.2776   10.106   6.2776 0.000000 0.000000 
1 1 1    0   13   32 o   12.224   6.8892   2.2237   2.0136   2.2237   2.0136   2.2237   2.0136   12.224   6.8892   12.224   6.8892 -0.000000 0.000000 
1 1 1    0   14    0 o  518.450   4.4146  2109.87   35.912  2109.87   35.912  2109.87   35.912  518.450   4.4146  518.450   4.4146 0.000000 0.000000 
1 1 1    0   14    1 o  114.476   2.5874  102.996   4.6428  102.996   4.6428  102.996   4.6428  114.476   2.5874  114.476   2.5874 -0.000000 0.000000 
1 1 1    0   14    2 o  535.679   3.2024  2252.20   26.918  2252.20   26.918  2252.20   26.918  535.679   3.2024  535.679   3.2024 0.000000 0.000000 
1 1 1    0   14    3 o  163.886   2.3853  210.902   6.1318  210.902   6.1318  210.902   6.1318  163.886   2.3853  163.886   2.3853 -0.000000 0.000000 
1 1 1    0   14    4 o   52.241   4.4560   21.885   3.5896   21.885   3.5896   21.885   3.5896   52.241   4.4560   52.241   4.4560 0.000000 0.000000 
1 1 1    0   14    5 o   93.180   2.7806   68.319   4.0577   68.319   4.0577   68.319   4.0577   93.180   2.7806   93.180   2.7806 0.000000 0.000000 
1 1 1    0   14    6 o  164.682   2.2241  212.937   5.7456  212.937   5.7456  212.937   5.7456  164.682   2.2241  164.682   2.2241 -0.000000 0.000000 
1 1 1    0   14    7 o  195.739   2.4895  300.819   7.6443  300.819   7.6443  300.819   7.6443  195.739   2.4895  195.739   2.4895 -0.000000 0.000000 
1 1 1    0   14    8 o  296.895   2.6592  691.939   12.387  691.939   12.387  691.939   12.387  296.895   2.6592  296.895   2.6592 -0.000000 0.000000 
1 1 1    0   14    9 o  113.472   3.4067  101.336   6.0540  101.336   6.0540  101.336   6.0540  113.472   3.4067  113.472   3.4067 0.000000 0.000000 
1 1 1    0   14   10 o   71.242   4.1570   40.254   4.6110   40.254   4.6110   40.254   4.6110   71.242   4.1570   71.242   4.1570 -0.000000 0.000000 
1 1 1    0   14   11 f   87.558   3.1565   60.417   4.3244   60.417   4.3244   60.417   4.3244   87.558   3.1565   87.558   3.1565 0.000000 0.000000 
1 1 1    0   14   12 o   21.118   9.3120   5.0530   3.2373   5.0530   3.2373   5.0530   3.2373   21.118   9.3120   21.118   9.3120 0.000000 0.000000 
1 1 1    0   14   13 o   75.711   3.0834   45.239   3.6497   45.239   3.6497   45.239   3.6497   75.711   3.0834   75.711   3.0834 -0.000000 0.000000 
1 1 1    0   14   14 o  127.864   2.3609  128.503   4.7337  128.503   4.7337  128.503   4.7337  127.864   2.3609  127.864   2.3609 0.000000 0.000000 
1 1 1    0   14   15 f  172.334   2.2110  233.318   5.9772  233.318   5.9772  233.318   5.9772  172.334   2.2110  172.334   2.2110 -0.000000 0.000000 
1 1 1    0   14   16 o  119.949   2.4329  113.152   4.5754  113.152   4.5754  113.152   4.5754  119.949   2.4329  119.949   2.4329 -0.000000 0.000000 
1 1 1    0   14   17 o   68.903   3.2869   37.594   3.5356   37.594   3.5356   37.594   3.5356   68.903   3.2869   68.903   3.2869 -0.000000 0.000000 
1 1 1    0   14   18 o   77.027   3.5719   47.011   4.2964   47.011   4.2964   47.011   4.2964   77.027   3.5719   77.027   3.5719 0.000000 0.000000 
1 1 1    0   14   19 o   44.517   5.7943   16.472   3.8587   16.472   3.8587   16.472   3.8587   44.517   5.7943   44.517   5.7943 0.000000 0.000000 
1 1 1    0   14   20 o   10.078   6.9178  -2.3272   3.5339  -2.3272   3.5339  -2.3272   3.5339   10.078   6.9178   10.078   6.9178 0.000000 0.000000 
1 1 1    0   14   21 o   13.816   8.4595   1.4137   3.5052   1.4137   3.5052   1.4137   3.5052   13.816   8.4595   13.816   8.4595 0.000000 0.000000 
1 1 1    0   14   22 o   9.2022   6.3105  -1.8406   2.9245  -1.8406   2.9245  -1.8406   2.9245   9.2022   6.3105   9.2022   6.3105 -0.000000 0.000000 
1 1 1    0   14   23 o   24.585   8.2346   6.2968   2.8337   6.2968   2.8337   6.2968   2.8337   24.585   8.2346   24.585   8.2346 -0.000000 0.000000 
1 1 1    0   14   24 o   41.840   4.6110   14.481   2.9339   14.481   2.9339   14.481   2.9339   41.840   4.6110   41.840   4.6110 0.000000 0.000000 
1 1 1    0   14   25 o   8.4358   5.8710  -2.3071   2.7728  -2.3071   2.7728  -2.3071   2.7728   8.4358   5.8710   8.4358   5.8710 -0.000000 0.000000 
1 1 1    0   14   26 f   10.062   6.5979  -0.1372   2.6030  -0.1372   2.6030  -0.1372   2.6030   10.062   6.5979   10.062   6.5979 0.000000 0.000000 
1 1 1    0   14   27 o   8.1065   5.6515  -2.1227   2.5989  -2.1227   2.5989  -2.1227   2.5989   8.1065   5.6515   8.1065   5.6515 0.000000 0.000000 
1 1 1    0   14   28 o   9.8807   6.4841   0.0468   2.5215   0.0468   2.5215   0.0468   2.5215   9.8807   6.4841   9.8807   6.4841 0.000000 0.000000 
1 1 1    0   14   29 o   9.6490   6.3392   0.1164   2.4205   0.1164   2.4205   0.1164   2.4205   9.6490   6.3392   9.6490   6.3392 -0.000000 0.000000 
1 1 1    0   14   30 o   36.953   4.5125   11.871   2.5127   11.871   2.5127   11.871   2.5127   36.953   4.5125   36.953   4.5125 -0.000000 0.000000 
1 1 1    0   14   31 o   7.3377   5.1243  -1.5044   2.1626  -1.5044   2.1626  -1.5044   2.1626   7.3377   5.1243   7.3377   5.1243 0.000000 0.000000 
1 1 1    0   14   32 o   15.745   8.2762   4.1881   2.7070   4.1881   2.7070   4.1881   2.7070   15.745   8.2762   15.745   8.2762 -0.000000 0.000000 
1 1 1    0   15    1 o   28.820   11.812   9.1311   5.2691   9.1311   5.2691   9.1311   5.2691   28.820   11.812   28.820   11.812 -0.000000 0.000000 
1 1 1    0   15    2 o  168.271   2.6415  222.371   6.9714  222.371   6.9714  222.371   6.9714  168.271   2.6415  168.271   2.6415 -0.000000 0.000000 
1 1 1    0   15    3 f  333.956   3.0750  875.495   16.112  875.495   16.112  875.495   16.112  333.956   3.0750  333.956   3.0750 0.000000 0.000000 
1 1 1    0   15    4 o  126.562   2.8594  125.901   5.6727  125.901   5.6727  125.901   5.6727  126.562   2.8594  126.562   2.8594 0.000000 0.000000 
1 1 1    0   15    5 o  493.093   3.5080  1908.69   27.143  1908.69   27.143  1908.69   27.143  493.093   3.5080  493.093   3.5080 0.000000 0.000000 
1 1 1    0   15    6 o  125.321   2.6388  123.419   5.1845  123.419   5.1845  123.419   5.1845  125.321   2.6388  125.321   2.6388 0.000000 0.000000 
1 1 1    0   15    7 o  154.823   2.2984  188.234   5.5814  188.234   5.5814  188.234   5.5814  154.823   2.2984  154.823   2.2984 0.000000 0.000000 
1 1 1    0   15    8 o   52.417   4.4697   22.039   3.6128   22.039   3.6128   22.039   3.6128   52.417   4.4697   52.417   4.4697 0.000000 0.000000 
1 1 1    0   15    9 o  137.995   2.7472  149.641   5.9438  149.641   5.9438  149.641   5.9438  137.995   2.7472  137.995   2.7472 -0.000000 0.000000 
1 1 1    0   15   10 o   53.358   4.2905   22.791   3.5376   22.791   3.5376   22.791   3.5376   53.358   4.2905   53.358   4.2905 0.000000 0.000000 
1 1 1    0   15   11 o   13.300   8.0716   1.2791   3.1297   1.2791   3.1297   1.2791   3.1297   13.300   8.0716   13.300   8.0716 -0.000000 0.000000 
1 1 1    0   15   12 f  112.543   2.5751   99.602   4.5425   99.602   4.5425   99.602   4.5425  112.543   2.5751  112.543   2.5751 0.000000 0.000000 
1 1 1    0   15   13 o   7.3048   5.2753  -5.8459   3.1104  -5.8459   3.1104  -5.8459   3.1104   7.3048   5.2753   7.3048   5.2753 -0.000000 0.000000 
1 1 1    0   15   14 f   53.186   4.2992   22.687   3.5327   22.687   3.5327   22.687   3.5327   53.186   4.2992   53.186   4.2992 -0.000000 0.000000 
1 1 1    0   15   15 o  136.656   2.4102  146.821   5.1650  146.821   5.1650  146.821   5.1650  136.656   2.4102  136.656   2.4102 0.000000 0.000000 
1 1 1    0   15   16 o  109.620   2.5967   94.585   4.4614   94.585   4.4614   94.585   4.4614  109.620   2.5967  109.620   2.5967 -0.000000 0.000000 
1 1 1    0   15   17 o  179.075   2.2702  252.082   6.3776  252.082   6.3776  252.082   6.3776  179.075   2.2702  179.075   2.2702 -0.000000 0.000000 
1 1 1    0   15   18 o   28.378   8.2892   7.8387   3.2054   7.8387   3.2054   7.8387   3.2054   28.378   8.2892   28.378   8.2892 0.000000 0.000000 
1 1 1    0   15   19 o   46.768   4.7204   17.813   3.3771   17.813   3.3771   17.813   3.3771   46.768   4.7204   46.768   4.7204 -0.000000 0.000000 
1 1 1    0   15   20 o   21.277   9.2348   5.2279   3.1873   5.2279   3.1873   5.2279   3.1873   21.277   9.2348   21.277   9.2348 -0.000000 0.000000 
1 1 1    0   15   21 o   25.599   10.396   7.4715   4.0918   7.4715   4.0918   7.4715   4.0918   25.599   10.396   25.599   10.396 -0.000000 0.000000 
1 1 1    0   15   22 o   14.772   8.3024   2.4720   2.9142   2.4720   2.9142   2.4720   2.9142   14.772   8.3024   14.772   8.3024 0.000000 0.000000 
1 1 1    0   15   23 o   13.656   7.9689   1.9526   2.8347   1.9526   2.8347   1.9526   2.8347   13.656   7.9689   13.656   7.9689 0.000000 0.000000 
1 1 1    0   15   24 o   20.533   8.8769   5.0088   2.9462   5.0088   2.9462   5.0088   2.9462   20.533   8.8769   20.533   8.8769 -0.000000 0.000000 
1 1 1    0   15   25 o   16.934   9.2499   3.6180   3.5005   3.6180   3.5005   3.6180   3.5005   16.934   9.2499   16.934   9.2499 -0.000000 0.000000 
1 1 1    0   15   26 o   15.133   8.7747   2.7437   3.4020   2.7437   3.4020   2.7437   3.4020   15.133   8.7747   15.133   8.7747 0.000000 0.000000 
1 1 1    0   15   27 o   9.9215   6.6090  -0.3768   2.7814  -0.3768   2.7814  -0.3768   2.7814   9.9215   6.6090   9.9215   6.6090 -0.000000 0.000000 
1 1 1    0   15   28 f   7.4598   5.2944  -2.9317   2.6197  -2.9317   2.6197  -2.9317   2.6197   7.4598   5.2944   7.4598   5.2944 0.000000 0.000000 
1 1 1    0   15   29 o   9.7685   6.4452   0.1041   2.5437   0.1041   2.5437   0.1041   2.5437   9.7685   6.4452   9.7685   6.4452 0.000000 0.000000 
1 1 1    0   15   30 o   11.686   7.0979   1.6637   2.4240   1.6637   2.4240   1.6637   2.4240   11.686   7.0979   11.686   7.0979 0.000000 0.000000 
1 1 1    0   15   31 o   11.813   7.0832   2.0188   2.3514   2.0188   2.3514   2.0188   2.3514   11.813   7.0832   11.813   7.0832 -0.000000 0.000000 
1 1 1    0   16    0 o  102.526   4.1846   82.910   6.7073   82.910   6.7073   82.910   6.7073  102.526   4.1846  102.526   4.1846 0.000000 0.000000 
1 1 1    0   16    1 o  480.790   3.0049  1814.44   22.670  1814.44   22.670  1814.44   22.670  480.790   3.0049  480.790   3.0049 0.000000 0.000000 
1 1 1    0   16    2 o  162.178   2.5072  206.560   6.3776  206.560   6.3776  206.560   6.3776  162.178   2.5072  162.178   2.5072 0.000000 0.000000 
1 1 1    0   16    3 o   93.822   3.0183   69.301   4.4336   69.301   4.4336   69.301   4.4336   93.822   3.0183   93.822   3.0183 -0.000000 0.000000 
1 1 1    0   16    4 o   89.982   3.1230   63.777   4.3979   63.777   4.3979   63.777   4.3979   89.982   3.1230   89.982   3.1230 -0.000000 0.000000 
1 1 1    0   16    5 o   11.264   7.5381  -1.3627   3.6918  -1.3627   3.6918  -1.3627   3.6918   11.264   7.5381   11.264   7.5381 -0.000000 0.000000 
1 1 1    0   16    6 o   53.864   4.8137   23.324   3.9907   23.324   3.9907   23.324   3.9907   53.864   4.8137   53.864   4.8137 -0.000000 0.000000 
1 1 1    0   16    7 o  150.803   2.4229  178.622   5.7305  178.622   5.7305  178.622   5.7305  150.803   2.4229  150.803   2.4229 0.000000 0.000000 
1 1 1    0   16    8 o   50.363   4.7541   20.451   3.6759   20.451   3.6759   20.451   3.6759   50.363   4.7541   50.363   4.7541 0.000000 0.000000 
1 1 1    0   16    9 o  246.911   2.3457  478.658   9.0871  478.658   9.0871  478.658   9.0871  246.911   2.3457  246.911   2.3457 -0.000000 0.000000 
1 1 1    0   16   10 o   60.235   4.0136   28.883   3.7547   28.883   3.7547   28.883   3.7547   60.235   4.0136   60.235   4.0136 0.000000 0.000000 
1 1 1    0   16   11 o  192.147   2.4738  290.033   7.4568  290.033   7.4568  290.033   7.4568  192.147   2.4738  192.147   2.4738 -0.000000 0.000000 
1 1 1    0   16   12 o   14.099   8.7475   1.0926   3.8668   1.0926   3.8668   1.0926   3.8668   14.099   8.7475   14.099   8.7475 -0.000000 0.000000 
1 1 1    0   16   13 o   79.497   3.6441   50.003   4.5244   50.003   4.5244   50.003   4.5244   79.497   3.6441   79.497   3.6441 0.000000 0.000000 
1 1 1    0   16   14 o  164.404   2.6795  212.531   6.9089  212.531   6.9089  212.531   6.9089  164.404   2.6795  164.404   2.6795 -0.000000 0.000000 
1 1 1    0   16   15 o   16.607   9.3564   2.9593   3.7125   2.9593   3.7125   2.9593   3.7125   16.607   9.3564   16.607   9.3564 -0.000000 0.000000 
1 1 1    0   16   16 o  104.195   3.1386   85.638   5.1214   85.638   5.1214   85.638   5.1214  104.195   3.1386  104.195   3.1386 0.000000 0.000000 
1 1 1    0   16   17 o   15.123   8.9686   2.0860   3.6920   2.0860   3.6920   2.0860   3.6920   15.123   8.9686   15.123   8.9686 -0.000000 0.000000 
1 1 1    0   16   18 o   21.657   9.7663   5.4769   3.5608   5.4769   3.5608   5.4769   3.5608   21.657   9.7663   21.657   9.7663 -0.000000 0.000000 
1 1 1    0   16   19 o   21.527   9.5141   5.3943   3.3792   5.3943   3.3792   5.3943   3.3792   21.527   9.5141   21.527   9.5141 -0.000000 0.000000 
1 1 1    0   16   20 o   49.127   4.5238   19.621   3.4160   19.621   3.4160   19.621   3.4160   49.127   4.5238   49.127   4.5238 0.000000 0.000000 
1 1 1    0   16   21 o   30.634   9.9580   9.7623   4.2350   9.7623   4.2350   9.7623   4.2350   30.634   9.9580   30.634   9.9580 0.000000 0.000000 
1 1 1    0   16   22 o   13.293   7.9997   1.6008   3.0212   1.6008   3.0212   1.6008   3.0212   13.293   7.9997   13.293   7.9997 0.000000 0.000000 
1 1 1    0   16   23 o   12.658   7.8339   1.1687   3.0820   1.1687   3.0820   1.1687   3.0820   12.658   7.8339   12.658   7.8339 -0.000000 0.000000 
1 1 1    0   16   24 o   15.928   8.8716   3.0955   3.2909   3.0955   3.2909   3.0955   3.2909   15.928   8.8716   15.928   8.8716 -0.000000 0.000000 
1 1 1    0   16   25 o   11.966   7.7098   0.4751   3.3435   0.4751   3.3435   0.4751   3.3435   11.966   7.7098   11.966   7.7098 -0.000000 0.000000 
1 1 1    0   16   26 o   14.638   8.6802   2.5390   3.4581   2.5390   3.4581   2.5390   3.4581   14.638   8.6802   14.638   8.6802 0.000000 0.000000 
1 1 1    0   16   27 o   19.836   9.4734   5.4386   3.3794   5.4386   3.3794   5.4386   3.3794   19.836   9.4734   19.836   9.4734 -0.000000 0.000000 
1 1 1    0   16   28 o   14.143   8.3860   2.7346   3.2269   2.7346   3.2269   2.7346   3.2269   14.143   8.3860   14.143   8.3860 -0.000000 0.000000 
1 1 1    0   16   29 o   12.568   8.1633   1.3609   3.8516   1.3609   3.8516   1.3609   3.8516   12.568   8.1633   12.568   8.1633 0.000000 0.000000 
1 1 1    0   16   30 o   11.072   7.2524   0.8968   3.1329   0.8968   3.1329   0.8968   3.1329   11.072   7.2524   11.072   7.2524 -0.000000 0.000000 
1 1 1    0   16   31 o   7.3838   5.2565  -2.4433   2.6552  -2.4433   2.6552  -2.4433   2.6552   7.3838   5.2565   7.3838   5.2565 0.000000 0.000000 
1 1 1    0   17    1 o  313.889   2.5518  773.414   12.568  773.414   12.568  773.414   12.568  313.889   2.5518  313.889   2.5518 0.000000 0.000000 
1 1 1    0   17    2 o   88.765   3.6879   62.173   5.1170   62.173   5.1170   62.173   5.1170   88.765   3.6879   88.765   3.6879 -0.000000 0.000000 
1 1 1    0   17    3 o   67.841   4.6374   36.646   4.8833   36.646   4.8833   36.646   4.8833   67.841   4.6374   67.841   4.6374 0.000000 0.000000 
1 1 1    0   17    4 o  135.438   2.6983  144.146   5.7298  144.146   5.7298  144.146   5.7298  135.438   2.6983  135.438   2.6983 0.000000 0.000000 
1 1 1    0   17    5 o  374.260   2.6623  1099.60   15.635  1099.60   15.635  1099.60   15.635  374.260   2.6623  374.260   2.6623 0.000000 0.000000 
1 1 1    0   17    6 o   82.750   3.6761   54.085   4.7523   54.085   4.7523   54.085   4.7523   82.750   3.6761   82.750   3.6761 -0.000000 0.000000 
1 1 1    0   17    7 o   63.766   4.0480   32.322   4.0129   32.322   4.0129   32.322   4.0129   63.766   4.0480   63.766   4.0480 -0.000000 0.000000 
1 1 1    0   17    8 o   29.741   8.8487   8.5842   3.5937   8.5842   3.5937   8.5842   3.5937   29.741   8.8487   29.741   8.8487 0.000000 0.000000 
1 1 1    0   17    9 o   33.913   7.8503   10.390   3.6349   10.390   3.6349   10.390   3.6349   33.913   7.8503   33.913   7.8503 0.000000 0.000000 
1 1 1    0   17   10 o   19.807   9.5276   4.5694   3.4251   4.5694   3.4251   4.5694   3.4251   19.807   9.5276   19.807   9.5276 0.000000 0.000000 
1 1 1    0   17   11 o   44.619   5.2699   16.322   3.5549   16.322   3.5549   16.322   3.5549   44.619   5.2699   44.619   5.2699 -0.000000 0.000000 
1 1 1    0   17   12 o   32.265   7.9386   9.5729   3.4803   9.5729   3.4803   9.5729   3.4803   32.265   7.9386   32.265   7.9386 -0.000000 0.000000 
1 1 1    0   17   13 o   20.441   9.5590   4.8677   3.4246   4.8677   3.4246   4.8677   3.4246   20.441   9.5590   20.441   9.5590 -0.000000 0.000000 
1 1 1    0   17   14 o   12.693   8.2058  -0.0350   3.8298  -0.0350   3.8298  -0.0350   3.8298   12.693   8.2058   12.693   8.2058 0.000000 0.000000 
1 1 1    0   17   15 o   56.855   4.7819   26.049   4.1945   26.049   4.1945   26.049   4.1945   56.855   4.7819   56.855   4.7819 0.000000 0.000000 
1 1 1    0   17   16 o   12.667   8.2058  -0.0617   3.8562  -0.0617   3.8562  -0.0617   3.8562   12.667   8.2058   12.667   8.2058 -0.000000 0.000000 
1 1 1    0   17   17 o   21.626   10.299   5.5691   3.9907   5.5691   3.9907   5.5691   3.9907   21.626   10.299   21.626   10.299 -0.000000 0.000000 
1 1 1    0   17   18 o   36.426   8.2727   12.123   4.1225   12.123   4.1225   12.123   4.1225   36.426   8.2727   36.426   8.2727 0.000000 0.000000 
1 1 1    0   17   19 o   17.449   9.5247   3.5779   3.7090   3.5779   3.7090   3.5779   3.7090   17.449   9.5247   17.449   9.5247 0.000000 0.000000 
1 1 1    0   17   20 o   28.362   8.4222   8.0006   3.2610   8.0006   3.2610   8.0006   3.2610   28.362   8.4222   28.362   8.4222 -0.000000 0.000000 
1 1 1    0   17   21 o   7.8554   5.6097  -4.4672   3.1145  -4.4672   3.1145  -4.4672   3.1145   7.8554   5.6097   7.8554   5.6097 0.000000 0.000000 
1 1 1    0   17   22 o   9.7308   6.7700  -2.9774   3.6785  -2.9774   3.6785  -2.9774   3.6785   9.7308   6.7700   9.7308   6.7700 0.000000 0.000000 
1 1 1    0   17   23 o   17.779   9.6574   4.0034   3.7942   4.0034   3.7942   4.0034   3.7942   17.779   9.6574   17.779   9.6574 0.000000 0.000000 
1 1 1    0   17   24 o   25.860   9.8591   7.7288   3.7674   7.7288   3.7674   7.7288   3.7674   25.860   9.8591   25.860   9.8591 0.000000 0.000000 
1 1 1    0   17   25 o   18.747   9.3821   4.6649   3.3734   4.6649   3.3734   4.6649   3.3734   18.747   9.3821   18.747   9.3821 -0.000000 0.000000 
1 1 1    0   17   26 o   10.712   7.0715  -0.0129   3.0686  -0.0129   3.0686  -0.0129   3.0686   10.712   7.0715   10.712   7.0715 0.000000 0.000000 
1 1 1    0   17   27 o   12.762   7.8442   1.8482   3.0400   1.8482   3.0400   1.8482   3.0400   12.762   7.8442   12.762   7.8442 -0.000000 0.000000 
1 1 1    0   17   28 o   25.468   8.4860   7.5251   3.0204   7.5251   3.0204   7.5251   3.0204   25.468   8.4860   25.468   8.4860 0.000000 0.000000 
1 1 1    0   17   29 o   11.018   7.1205   0.9408   2.8802   0.9408   2.8802   0.9408   2.8802   11.018   7.1205   11.018   7.1205 0.000000 0.000000 
1 1 1    0   17   30 o   7.2012   5.1352  -2.6473   2.5741  -2.6473   2.5741  -2.6473   2.5741   7.2012   5.1352   7.2012   5.1352 0.000000 0.000000 
1 1 1    0   18    0 o  172.672   4.0181  234.432   10.875  234.432   10.875  234.432   10.875  172.672   4.0181  172.672   4.0181 -0.000000 0.000000 
1 1 1    0   18    1 o   29.371   10.198   8.8655   4.2422   8.8655   4.2422   8.8655   4.2422   29.371   10.198   29.371   10.198 -0.000000 0.000000 
1 1 1    0   18    2 o  310.273   2.5127  755.802   12.233  755.802   12.233  755.802   12.233  310.273   2.5127  310.273   2.5127 0.000000 0.000000 
1 1 1    0   18    3 o   21.466   10.359   5.3466   4.0529   5.3466   4.0529   5.3466   4.0529   21.466   10.359   21.466   10.359 -0.000000 0.000000 
1 1 1    0   18    4 o   75.072   3.8194   44.608   4.4729   44.608   4.4729   44.608   4.4729   75.072   3.8194   75.072   3.8194 -0.000000 0.000000 
1 1 1    0   18    5 o   12.810   8.4175  -0.7388   4.2708  -0.7388   4.2708  -0.7388   4.2708   12.810   8.4175   12.810   8.4175 -0.000000 0.000000 
1 1 1    0   18    6 o  213.662   3.4050  358.853   11.410  358.853   11.410  358.853   11.410  213.662   3.4050  213.662   3.4050 0.000000 0.000000 
1 1 1    0   18    7 o   11.325   7.7146  -2.4381   4.2149  -2.4381   4.2149  -2.4381   4.2149   11.325   7.7146   11.325   7.7146 0.000000 0.000000 
1 1 1    0   18    8 o   17.543   9.8650   3.2745   4.1173   3.2745   4.1173   3.2745   4.1173   17.543   9.8650   17.543   9.8650 -0.000000 0.000000 
1 1 1    0   18    9 o   44.775   6.5666   16.798   4.3239   16.798   4.3239   16.798   4.3239   44.775   6.5666   44.775   6.5666 -0.000000 0.000000 
1 1 1    0   18   10 o   68.414   3.8304   37.155   4.0827   37.155   4.0827   37.155   4.0827   68.414   3.8304   68.414   3.8304 0.000000 0.000000 
1 1 1    0   18   11 f  104.293   2.8837   85.672   4.7115   85.672   4.7115   85.672   4.7115  104.293   2.8837  104.293   2.8837 -0.000000 0.000000 
1 1 1    0   18   12 f  101.296   2.8684   80.846   4.5515   80.846   4.5515   80.846   4.5515  101.296   2.8684  101.296   2.8684 -0.000000 0.000000 
1 1 1    0   18   13 o   13.316   8.2469   1.0434   3.4213   1.0434   3.4213   1.0434   3.4213   13.316   8.2469   13.316   8.2469 0.000000 0.000000 
1 1 1    0   18   14 o   76.552   3.4371   46.413   4.1101   46.413   4.1101   46.413   4.1101   76.552   3.4371   76.552   3.4371 0.000000 0.000000 
1 1 1    0   18   15 o   53.843   4.5745   23.386   3.7986   23.386   3.7986   23.386   3.7986   53.843   4.5745   53.843   4.5745 0.000000 0.000000 
1 1 1    0   18   16 o   11.326   7.5064  -0.7954   3.5125  -0.7954   3.5125  -0.7954   3.5125   11.326   7.5064   11.326   7.5064 0.000000 0.000000 
1 1 1    0   18   17 o   77.243   3.4481   47.343   4.1607   47.343   4.1607   47.343   4.1607   77.243   3.4481   77.243   3.4481 0.000000 0.000000 
1 1 1    0   18   18 o   15.900   9.0683   2.7634   3.5455   2.7634   3.5455   2.7634   3.5455   15.900   9.0683   15.900   9.0683 -0.000000 0.000000 
1 1 1    0   18   19 o   24.206   9.4012   6.5345   3.3986   6.5345   3.3986   6.5345   3.3986   24.206   9.4012   24.206   9.4012 -0.000000 0.000000 
1 1 1    0   18   20 o   12.687   7.9253   0.9828   3.2289   0.9828   3.2289   0.9828   3.2289   12.687   7.9253   12.687   7.9253 0.000000 0.000000 
1 1 1    0   18   21 o   29.058   8.4217   8.4280   3.3320   8.4280   3.3320   8.4280   3.3320   29.058   8.4217   29.058   8.4217 0.000000 0.000000 
1 1 1    0   18   22 o   14.444   8.5015   2.2358   3.2734   2.2358   3.2734   2.2358   3.2734   14.444   8.5015   14.444   8.5015 0.000000 0.000000 
1 1 1    0   18   23 o   9.7277   6.6615  -1.7232   3.2334  -1.7232   3.2334  -1.7232   3.2334   9.7277   6.6615   9.7277   6.6615 -0.000000 0.000000 
1 1 1    0   18   24 o   15.866   8.8071   3.2220   3.2300   3.2220   3.2300   3.2220   3.2300   15.866   8.8071   15.866   8.8071 -0.000000 0.000000 
1 1 1    0   18   25 o   10.391   6.9709  -0.5823   3.1929  -0.5823   3.1929  -0.5823   3.1929   10.391   6.9709   10.391   6.9709 -0.000000 0.000000 
1 1 1    0   18   26 o   28.403   8.3296   8.6745   3.2251   8.6745   3.2251   8.6745   3.2251   28.403   8.3296   28.403   8.3296 -0.000000 0.000000 
1 1 1    0   18   27 o   10.366   6.9244  -0.0850   3.0906  -0.0850   3.0906  -0.0850   3.0906   10.366   6.9244   10.366   6.9244 0.000000 0.000000 
1 1 1    0   18   28 o   15.188   8.9627   3.6102   3.6546   3.6102   3.6546   3.6102   3.6546   15.188   8.9627   15.188   8.9627 0.000000 0.000000 
1 1 1    0   18   29 o   14.602   8.9146   3.7198   3.8669   3.7198   3.8669   3.7198   3.8669   14.602   8.9146   14.602   8.9146 -0.000000 0.000000 
1 1 1    0   18   30 o   13.095   7.9314   3.0676   3.0090   3.0676   3.0090   3.0676   3.0090   13.095   7.9314   13.095   7.9314 0.000000 0.000000 
1 1 1    0   19    1 o   27.015   11.335   8.1542   4.8260   8.1542   4.8260   8.1542   4.8260   27.015   11.335   27.015   11.335 -0.000000 0.000000 
1 1 1    0   19    2 o   82.007   4.2538   53.287   5.4405   53.287   5.4405   53.287   5.4405   82.007   4.2538   82.007   4.2538 -0.000000 0.000000 
1 1 1    0   19    3 o  186.109   2.8882  272.211   8.4307  272.211   8.4307  272.211   8.4307  186.109   2.8882  186.109   2.8882 0.000000 0.000000 
1 1 1    0   19    4 o  132.033   3.2044  137.190   6.6306  137.190   6.6306  137.190   6.6306  132.033   3.2044  132.033   3.2044 -0.000000 0.000000 
1 1 1    0   19    5 o   15.672   9.5966   1.6554   4.5112   1.6554   4.5112   1.6554   4.5112   15.672   9.5966   15.672   9.5966 -0.000000 0.000000 
1 1 1    0   19    6 o   93.038   4.6652   68.631   6.7721   68.631   6.7721   68.631   6.7721   93.038   4.6652   93.038   4.6652 -0.000000 0.000000 
1 1 1    0   19    7 o   18.498   10.273   3.7472   4.3967   3.7472   4.3967   3.7472   4.3967   18.498   10.273   18.498   10.273 -0.000000 0.000000 
1 1 1    0   19    8 o   34.174   9.1272   11.005   4.2292   11.005   4.2292   11.005   4.2292   34.174   9.1272   34.174   9.1272 -0.000000 0.000000 
1 1 1    0   19    9 o  106.972   2.9968   90.146   5.0219   90.146   5.0219   90.146   5.0219  106.972   2.9968  106.972   2.9968 -0.000000 0.000000 
1 1 1    0   19   10 o   11.231   7.5004  -1.1808   3.6222  -1.1808   3.6222  -1.1808   3.6222   11.231   7.5004   11.231   7.5004 -0.000000 0.000000 
1 1 1    0   19   11 o   67.701   3.8534   36.436   4.0634   36.436   4.0634   36.436   4.0634   67.701   3.8534   67.701   3.8534 0.000000 0.000000 
1 1 1    0   19   12 o   58.059   4.3171   27.014   3.8822   27.014   3.8822   27.014   3.8822   58.059   4.3171   58.059   4.3171 -0.000000 0.000000 
1 1 1    0   19   13 o   37.673   7.0584   12.375   3.7443   12.375   3.7443   12.375   3.7443   37.673   7.0584   37.673   7.0584 -0.000000 0.000000 
1 1 1    0   19   14 o  124.327   2.9602  121.854   5.7681  121.854   5.7681  121.854   5.7681  124.327   2.9602  124.327   2.9602 -0.000000 0.000000 
1 1 1    0   19   15 o   75.250   3.5865   44.955   4.2133   44.955   4.2133   44.955   4.2133   75.250   3.5865   75.250   3.5865 -0.000000 0.000000 
1 1 1    0   19   16 o   60.194   4.2693   29.094   3.9853   29.094   3.9853   29.094   3.9853   60.194   4.2693   60.194   4.2693 -0.000000 0.000000 
1 1 1    0   19   17 o   67.674   3.8992   36.597   4.1092   36.597   4.1092   36.597   4.1092   67.674   3.8992   67.674   3.8992 -0.000000 0.000000 
1 1 1    0   19   18 o   37.869   7.1712   12.709   3.8168   12.709   3.8168   12.709   3.8168   37.869   7.1712   37.869   7.1712 -0.000000 0.000000 
1 1 1    0   19   19 o   15.433   9.1145   2.4542   3.7848   2.4542   3.7848   2.4542   3.7848   15.433   9.1145   15.433   9.1145 0.000000 0.000000 
1 1 1    0   19   20 f   12.221   7.9160   0.1992   3.5872   0.1992   3.5872   0.1992   3.5872   12.221   7.9160   12.221   7.9160 -0.000000 0.000000 
1 1 1    0   19   21 o   15.521   9.1868   2.6036   3.8604   2.6036   3.8604   2.6036   3.8604   15.521   9.1868   15.521   9.1868 -0.000000 0.000000 
1 1 1    0   19   22 o   13.741   8.5901   1.4093   3.8014   1.4093   3.8014   1.4093   3.8014   13.741   8.5901   13.741   8.5901 -0.000000 0.000000 
1 1 1    0   19   23 o   8.9530   6.3042  -3.4385   3.4790  -3.4385   3.4790  -3.4385   3.4790   8.9530   6.3042   8.9530   6.3042 0.000000 0.000000 
1 1 1    0   19   24 o   17.060   9.1135   3.9838   3.3264   3.9838   3.3264   3.9838   3.3264   17.060   9.1135   17.060   9.1135 0.000000 0.000000 
1 1 1    0   19   25 o   16.590   8.9889   3.9468   3.2790   3.9468   3.2790   3.9468   3.2790   16.590   8.9889   16.590   8.9889 0.000000 0.000000 
1 1 1    0   19   26 o   21.305   9.3654   6.2163   3.2751   6.2163   3.2751   6.2163   3.2751   21.305   9.3654   21.305   9.3654 0.000000 0.000000 
1 1 1    0   19   27 o   21.223   9.3704   6.3275   3.2779   6.3275   3.2779   6.3275   3.2779   21.223   9.3704   21.223   9.3704 0.000000 0.000000 
1 1 1    0   19   28 o   10.548   6.9847   0.4887   3.0306   0.4887   3.0306   0.4887   3.0306   10.548   6.9847   10.548   6.9847 0.000000 0.000000 
1 1 1    0   19   29 o   7.5352   5.4045  -3.2522   3.0213  -3.2522   3.0213  -3.2522   3.0213   7.5352   5.4045   7.5352   5.4045 -0.000000 0.000000 
1 1 1    0   20    0 o   26.216   12.304   7.9659   5.6776   7.9659   5.6776   7.9659   5.6776   26.216   12.304   26.216   12.304 -0.000000 0.000000 
1 1 1    0   20    1 o   91.982   3.3484   66.757   4.8188   66.757   4.8188   66.757   4.8188   91.982   3.3484   91.982   3.3484 0.000000 0.000000 
1 1 1    0   20    2 o  104.870   3.0681   86.635   5.0395   86.635   5.0395   86.635   5.0395  104.870   3.0681  104.870   3.0681 0.000000 0.000000 
1 1 1    0   20    3 o   10.747   7.3403  -2.3620   3.8697  -2.3620   3.8697  -2.3620   3.8697   10.747   7.3403   10.747   7.3403 0.000000 0.000000 
1 1 1    0   20    4 o   8.8471   6.2980  -5.3591   3.8094  -5.3591   3.8094  -5.3591   3.8094   8.8471   6.2980   8.8471   6.2980 0.000000 0.000000 
1 1 1    0   20    5 o   29.513   9.4557   8.7258   3.8608   8.7258   3.8608   8.7258   3.8608   29.513   9.4557   29.513   9.4557 -0.000000 0.000000 
1 1 1    0   20    6 o   25.149   11.083   7.2554   4.5863   7.2554   4.5863   7.2554   4.5863   25.149   11.083   25.149   11.083 0.000000 0.000000 
1 1 1    0   20    7 o   20.339   10.015   4.8655   3.8164   4.8655   3.8164   4.8655   3.8164   20.339   10.015   20.339   10.015 0.000000 0.000000 
1 1 1    0   20    8 o   11.832   7.8299  -0.8637   3.7994  -0.8637   3.7994  -0.8637   3.7994   11.832   7.8299   11.832   7.8299 -0.000000 0.000000 
1 1 1    0   20    9 o   65.761   4.2217   34.491   4.3150   34.491   4.3150   34.491   4.3150   65.761   4.2217   65.761   4.2217 0.000000 0.000000 
1 1 1    0   20   10 o   41.639   7.4825   15.016   4.4202   15.016   4.4202   15.016   4.4202   41.639   7.4825   41.639   7.4825 0.000000 0.000000 
1 1 1    0   20   11 o   56.097   5.2181   25.518   4.4972   25.518   4.4972   25.518   4.4972   56.097   5.2181   56.097   5.2181 0.000000 0.000000 
1 1 1    0   20   12 o   27.882   10.342   8.3660   4.2003   8.3660   4.2003   8.3660   4.2003   27.882   10.342   27.882   10.342 -0.000000 0.000000 
1 1 1    0   20   13 o   58.012   5.3627   27.346   4.7809   27.346   4.7809   27.346   4.7809   58.012   5.3627   58.012   5.3627 0.000000 0.000000 
1 1 1    0   20   14 o   49.106   6.2334   20.100   4.5928   20.100   4.5928   20.100   4.5928   49.106   6.2334   49.106   6.2334 -0.000000 0.000000 
1 1 1    0   20   15 o   47.642   6.5483   19.136   4.6333   19.136   4.6333   19.136   4.6333   47.642   6.5483   47.642   6.5483 0.000000 0.000000 
1 1 1    0   20   16 o   87.381   3.8624   60.791   5.2728   60.791   5.2728   60.791   5.2728   87.381   3.8624   87.381   3.8624 0.000000 0.000000 
1 1 1    0   20   17 o   27.072   11.101   8.5358   4.6530   8.5358   4.6530   8.5358   4.6530   27.072   11.101   27.072   11.101 -0.000000 0.000000 
1 1 1    0   20   18 o   42.725   7.0059   15.927   4.3183   15.927   4.3183   15.927   4.3183   42.725   7.0059   42.725   7.0059 0.000000 0.000000 
1 1 1    0   20   19 f   17.885   9.8540   3.9594   4.0095   3.9594   4.0095   3.9594   4.0095   17.885   9.8540   17.885   9.8540 -0.000000 0.000000 
1 1 1    0   20   20 o   7.0546   5.1878 -10.8646   3.9716 -10.8646   3.9716 -10.8646   3.9716   7.0546   5.1878   7.0546   5.1878 0.000000 0.000000 
1 1 1    0   20   21 f   20.636   10.133   5.5393   3.9023   5.5393   3.9023   5.5393   3.9023   20.636   10.133   20.636   10.133 0.000000 0.000000 
1 1 1    0   20   22 o   13.550   8.3222   1.7015   3.4158   1.7015   3.4158   1.7015   3.4158   13.550   8.3222   13.550   8.3222 -0.000000 0.000000 
1 1 1    0   20   23 o   11.478   7.5108   0.2206   3.3474   0.2206   3.3474   0.2206   3.3474   11.478   7.5108   11.478   7.5108 0.000000 0.000000 
1 1 1    0   20   24 o   19.177   9.4242   5.1745   3.3763   5.1745   3.3763   5.1745   3.3763   19.177   9.4242   19.177   9.4242 0.000000 0.000000 
1 1 1    0   20   25 o   8.3889   5.9438  -3.1834   3.2543  -3.1834   3.2543  -3.1834   3.2543   8.3889   5.9438   8.3889   5.9438 -0.000000 0.000000 
1 1 1    0   20   26 o   16.748   9.0821   4.3882   3.3500   4.3882   3.3500   4.3882   3.3500   16.748   9.0821   16.748   9.0821 -0.000000 0.000000 
1 1 1    0   20   27 o   9.6412   6.5995  -0.7716   3.1660  -0.7716   3.1660  -0.7716   3.1660   9.6412   6.5995   9.6412   6.5995 -0.000000 0.000000 
1 1 1    0   20   28 o   12.338   7.7489   2.3274   3.1315   2.3274   3.1315   2.3274   3.1315   12.338   7.7489   12.338   7.7489 -0.000000 0.000000 
1 1 1    0   21    1 o   12.491   8.5655  -3.5242   5.3877  -3.5242   5.3877  -3.5242   5.3877   12.491   8.5655   12.491   8.5655 0.000000 0.000000 
1 1 1    0   21    2 o   99.988   3.6812   78.971   5.7585   78.971   5.7585   78.971   5.7585   99.988   3.6812   99.988   3.6812 -0.000000 0.000000 
1 1 1    0   21    3 o   15.384   9.5220   1.4154   4.5551   1.4154   4.5551   1.4154   4.5551   15.384   9.5220   15.384   9.5220 0.000000 0.000000 
1 1 1    0   21    4 o   40.255   8.3219   14.372   4.6405   14.372   4.6405   14.372   4.6405   40.255   8.3219   40.255   8.3219 0.000000 0.000000 
1 1 1    0   21    5 o   63.457   4.6757   32.257   4.5968   32.257   4.5968   32.257   4.5968   63.457   4.6757   63.457   4.6757 0.000000 0.000000 
1 1 1    0   21    6 o   18.544   10.038   3.9338   4.0856   3.9338   4.0856   3.9338   4.0856   18.544   10.038   18.544   10.038 -0.000000 0.000000 
1 1 1    0   21    7 o   9.7743   6.8231  -3.6412   3.8226  -3.6412   3.8226  -3.6412   3.8226   9.7743   6.8231   9.7743   6.8231 -0.000000 0.000000 
1 1 1    0   21    8 o   52.509   5.1425   22.402   4.1378   22.402   4.1378   22.402   4.1378   52.509   5.1425   52.509   5.1425 -0.000000 0.000000 
1 1 1    0   21    9 o   24.525   10.201   6.7876   3.9158   6.7876   3.9158   6.7876   3.9158   24.525   10.201   24.525   10.201 -0.000000 0.000000 
1 1 1    0   21   10 o   13.261   8.4430   0.4869   3.8637   0.4869   3.8637   0.4869   3.8637   13.261   8.4430   13.261   8.4430 0.000000 0.000000 
1 1 1    0   21   11 o   16.262   9.3572   2.7578   3.8234   2.7578   3.8234   2.7578   3.8234   16.262   9.3572   16.262   9.3572 -0.000000 0.000000 
1 1 1    0   21   12 o   47.167   5.5300   18.365   3.9461   18.365   3.9461   18.365   3.9461   47.167   5.5300   47.167   5.5300 0.000000 0.000000 
1 1 1    0   21   13 o   83.752   3.5105   55.643   4.5954   55.643   4.5954   55.643   4.5954   83.752   3.5105   83.752   3.5105 0.000000 0.000000 
1 1 1    0   21   14 o   42.388   6.4093   15.309   3.9753   15.309   3.9753   15.309   3.9753   42.388   6.4093   42.388   6.4093 -0.000000 0.000000 
1 1 1    0   21   15 o   37.768   7.1084   12.604   3.7773   12.604   3.7773   12.604   3.7773   37.768   7.1084   37.768   7.1084 0.000000 0.000000 
1 1 1    0   21   16 o   21.117   9.8372   5.4308   3.6245   5.4308   3.6245   5.4308   3.6245   21.117   9.8372   21.117   9.8372 -0.000000 0.000000 
1 1 1    0   21   17 o   42.793   6.1202   15.642   3.8668   15.642   3.8668   15.642   3.8668   42.793   6.1202   42.793   6.1202 -0.000000 0.000000 
1 1 1    0   21   18 o   10.267   7.0030  -1.7436   3.4973  -1.7436   3.4973  -1.7436   3.4973   10.267   7.0030   10.267   7.0030 -0.000000 0.000000 
1 1 1    0   21   19 o   26.021   9.5534   7.5691   3.6033   7.5691   3.6033   7.5691   3.6033   26.021   9.5534   26.021   9.5534 0.000000 0.000000 
1 1 1    0   21   20 f   46.452   8.6009   19.899   5.6377   19.899   5.6377   19.899   5.6377   46.452   8.6009   46.452   8.6009 0.000000 0.000000 
1 1 1    0   21   21 o   10.715   7.2205  -0.9790   3.4967  -0.9790   3.4967  -0.9790   3.4967   10.715   7.2205   10.715   7.2205 0.000000 0.000000 
1 1 1    0   21   22 o   12.525   7.9698   1.0429   3.4370   1.0429   3.4370   1.0429   3.4370   12.525   7.9698   12.525   7.9698 -0.000000 0.000000 
1 1 1    0   21   23 o   14.381   8.6188   2.6197   3.4780   2.6197   3.4780   2.6197   3.4780   14.381   8.6188   14.381   8.6188 -0.000000 0.000000 
1 1 1    0   21   24 o   10.912   7.2900  -0.0443   3.4268  -0.0443   3.4268  -0.0443   3.4268   10.912   7.2900   10.912   7.2900 0.000000 0.000000 
1 1 1    0   21   25 o   26.680   9.9354   9.2198   3.8688   9.2198   3.8688   9.2198   3.8688   26.680   9.9354   26.680   9.9354 -0.000000 0.000000 
1 1 1    0   21   26 o   12.627   8.1922   1.6625   3.8630   1.6625   3.8630   1.6625   3.8630   12.627   8.1922   12.627   8.1922 -0.000000 0.000000 
1 1 1    0   21   27 o   11.241   7.5783   0.7415   3.8598   0.7415   3.8598   0.7415   3.8598   11.241   7.5783   11.241   7.5783 0.000000 0.000000 
1 1 1    0   21   28 o   7.9952   5.7423  -3.3086   3.4610  -3.3086   3.4610  -3.3086   3.4610   7.9952   5.7423   7.9952   5.7423 0.000000 0.000000 
1 1 1    0   22    0 o   12.016   8.3335  -4.6142   5.4604  -4.6142   5.4604  -4.6142   5.4604   12.016   8.3335   12.016   8.3335 -0.000000 0.000000 
1 1 1    0   22    1 o   88.698   3.5448   62.222   4.9162   62.222   4.9162   62.222   4.9162   88.698   3.5448   88.698   3.5448 0.000000 0.000000 
1 1 1    0   22    2 f   20.109   10.212   4.7858   4.0281   4.7858   4.0281   4.7858   4.0281   20.109   10.212   20.109   10.212 -0.000000 0.000000 
1 1 1    0   22    3 o   29.683   9.7866   8.9802   4.0478   8.9802   4.0478   8.9802   4.0478   29.683   9.7866   29.683   9.7866 0.000000 0.000000 
1 1 1    0   22    4 o   10.861   7.4035  -2.2098   3.8952  -2.2098   3.8952  -2.2098   3.8952   10.861   7.4035   10.861   7.4035 0.000000 0.000000 
1 1 1    0   22    5 o   10.047   6.9748  -3.2653   3.8494  -3.2653   3.8494  -3.2653   3.8494   10.047   6.9748   10.047   6.9748 0.000000 0.000000 
1 1 1    0   22    6 o   12.027   7.9844  -0.9886   4.0025  -0.9886   4.0025  -0.9886   4.0025   12.027   7.9844   12.027   7.9844 -0.000000 0.000000 
1 1 1    0   22    7 o   31.930   9.5793   10.067   4.1813   10.067   4.1813   10.067   4.1813   31.930   9.5793   31.930   9.5793 -0.000000 0.000000 
1 1 1    0   22    8 o   12.368   8.2571  -1.3025   4.3831  -1.3025   4.3831  -1.3025   4.3831   12.368   8.2571   12.368   8.2571 -0.000000 0.000000 
1 1 1    0   22    9 o   27.952   11.232   8.7787   4.7917   8.7787   4.7917   8.7787   4.7917   27.952   11.232   27.952   11.232 0.000000 0.000000 
1 1 1    0   22   10 o   8.2645   6.0066  -9.2397   4.3815  -9.2397   4.3815  -9.2397   4.3815   8.2645   6.0066   8.2645   6.0066 -0.000000 0.000000 
1 1 1    0   22   11 o   13.666   8.8188   0.1896   4.3965   0.1896   4.3965   0.1896   4.3965   13.666   8.8188   13.666   8.8188 -0.000000 0.000000 
1 1 1    0   22   12 o   10.798   7.4985  -3.6278   4.4584  -3.6278   4.4584  -3.6278   4.4584   10.798   7.4985   10.798   7.4985 0.000000 0.000000 
1 1 1    0   22   13 o   60.744   5.1639   30.032   4.8376   30.032   4.8376   30.032   4.8376   60.744   5.1639   60.744   5.1639 0.000000 0.000000 
1 1 1    0   22   14 o   39.940   7.9317   14.341   4.4164   14.341   4.4164   14.341   4.4164   39.940   7.9317   39.940   7.9317 0.000000 0.000000 
1 1 1    0   22   15 o   15.418   9.3943   2.0951   4.2756   2.0951   4.2756   2.0951   4.2756   15.418   9.3943   15.418   9.3943 0.000000 0.000000 
1 1 1    0   22   16 o   17.183   9.9039   3.4206   4.2944   3.4206   4.2944   3.4206   4.2944   17.183   9.9039   17.183   9.9039 0.000000 0.000000 
1 1 1    0   22   17 o   10.618   7.1921  -1.4162   3.5579  -1.4162   3.5579  -1.4162   3.5579   10.618   7.1921   10.618   7.1921 -0.000000 0.000000 
1 1 1    0   22   18 o   13.439   8.4295   1.2327   3.6931   1.2327   3.6931   1.2327   3.6931   13.439   8.4295   13.439   8.4295 -0.000000 0.000000 
1 1 1    0   22   19 o   18.263   9.6858   4.3648   3.7342   4.3648   3.7342   4.3648   3.7342   18.263   9.6858   18.263   9.6858 0.000000 0.000000 
1 1 1    0   22   20 o   13.913   8.7435   1.5331   3.9933   1.5331   3.9933   1.5331   3.9933   13.913   8.7435   13.913   8.7435 0.000000 0.000000 
1 1 1    0   22   21 o   22.119   9.9253   6.4142   3.6772   6.4142   3.6772   6.4142   3.6772   22.119   9.9253   22.119   9.9253 0.000000 0.000000 
1 1 1    0   22   22 o   12.659   8.0909   1.2498   3.5899   1.2498   3.5899   1.2498   3.5899   12.659   8.0909   12.659   8.0909 0.000000 0.000000 
1 1 1    0   22   23 o   15.298   9.2135   3.3964   4.0137   3.3964   4.0137   3.3964   4.0137   15.298   9.2135   15.298   9.2135 0.000000 0.000000 
1 1 1    0   22   24 o   12.823   8.3123   1.5760   3.9657   1.5760   3.9657   1.5760   3.9657   12.823   8.3123   12.823   8.3123 0.000000 0.000000 
1 1 1    0   22   25 o   9.4929   6.6960  -2.7415   3.9796  -2.7415   3.9796  -2.7415   3.9796   9.4929   6.6960   9.4929   6.6960 -0.000000 0.000000 
1 1 1    0   22   26 o   9.3905   6.6155  -2.1079   3.8457  -2.1079   3.8457  -2.1079   3.8457   9.3905   6.6155   9.3905   6.6155 0.000000 0.000000 
1 1 1    0   22   27 o   10.615   7.1801   0.8425   3.5221   0.8425   3.5221   0.8425   3.5221   10.615   7.1801   10.615   7.1801 0.000000 0.000000 
1 1 1    0   23    1 o   37.171   8.4413   12.569   4.2926   12.569   4.2926   12.569   4.2926   37.171   8.4413   37.171   8.4413 0.000000 0.000000 
1 1 1    0   23    2 o   68.497   4.4442   37.516   4.7304   37.516   4.7304   37.516   4.7304   68.497   4.4442   68.497   4.4442 0.000000 0.000000 
1 1 1    0   23    3 o   73.453   4.1695   42.991   4.7705   42.991   4.7705   42.991   4.7705   73.453   4.1695   73.453   4.1695 0.000000 0.000000 
1 1 1    0   23    4 o   10.137   7.0678  -3.7217   4.0671  -3.7217   4.0671  -3.7217   4.0671   10.137   7.0678   10.137   7.0678 0.000000 0.000000 
1 1 1    0   23    5 o   76.285   4.0724   46.326   4.8433   46.326   4.8433   46.326   4.8433   76.285   4.0724   76.285   4.0724 -0.000000 0.000000 
1 1 1    0   23    6 o   28.616   10.329   8.7413   4.2512   8.7413   4.2512   8.7413   4.2512   28.616   10.329   28.616   10.329 -0.000000 0.000000 
1 1 1    0   23    7 o   26.710   10.339   7.8645   4.1162   7.8645   4.1162   7.8645   4.1162   26.710   10.339   26.710   10.339 -0.000000 0.000000 
1 1 1    0   23    8 o   36.110   7.9711   11.825   3.9509   11.825   3.9509   11.825   3.9509   36.110   7.9711   36.110   7.9711 -0.000000 0.000000 
1 1 1    0   23    9 o   10.907   7.4397  -2.1657   3.9464  -2.1657   3.9464  -2.1657   3.9464   10.907   7.4397   10.907   7.4397 0.000000 0.000000 
1 1 1    0   23   10 o   10.422   7.1718  -2.5893   3.8538  -2.5893   3.8538  -2.5893   3.8538   10.422   7.1718   10.422   7.1718 0.000000 0.000000 
1 1 1    0   23   11 o   56.924   4.9228   26.357   4.3187   26.357   4.3187   26.357   4.3187   56.924   4.9228   56.924   4.9228 -0.000000 0.000000 
1 1 1    0   23   12 o   14.093   8.6677   1.5060   3.7176   1.5060   3.7176   1.5060   3.7176   14.093   8.6677   14.093   8.6677 -0.000000 0.000000 
1 1 1    0   23   13 o   25.747   10.014   7.4938   3.8539   7.4938   3.8539   7.4938   3.8539   25.747   10.014   25.747   10.014 0.000000 0.000000 
1 1 1    0   23   14 o   26.075   10.317   7.8226   4.0641   7.8226   4.0641   7.8226   4.0641   26.075   10.317   26.075   10.317 0.000000 0.000000 
1 1 1    0   23   15 o   8.9574   6.4072  -5.9099   4.1294  -5.9099   4.1294  -5.9099   4.1294   8.9574   6.4072   8.9574   6.4072 -0.000000 0.000000 
1 1 1    0   23   16 o   27.132   14.246   10.645   8.0135   10.645   8.0135   10.645   8.0135   27.132   14.246   27.132   14.246 -0.000000 0.000000 
1 1 1    0   23   17 o   12.950   8.5122  -0.0482   4.3731  -0.0482   4.3731  -0.0482   4.3731   12.950   8.5122   12.950   8.5122 -0.000000 0.000000 
1 1 1    0   23   18 o   12.313   8.2216  -0.6495   4.3497  -0.6495   4.3497  -0.6495   4.3497   12.313   8.2216   12.313   8.2216 -0.000000 0.000000 
1 1 1    0   23   19 o   7.3712   5.3704  -7.5881   3.6272  -7.5881   3.6272  -7.5881   3.6272   7.3712   5.3704   7.3712   5.3704 -0.000000 0.000000 
1 1 1    0   23   20 o   9.0290   6.3775  -3.5979   3.6503  -3.5979   3.6503  -3.5979   3.6503   9.0290   6.3775   9.0290   6.3775 0.000000 0.000000 
1 1 1    0   23   21 o   8.5612   6.1022  -4.1852   3.6196  -4.1852   3.6196  -4.1852   3.6196   8.5612   6.1022   8.5612   6.1022 0.000000 0.000000 
1 1 1    0   23   22 o   9.3317   6.5902  -3.2283   3.8928  -3.2283   3.8928  -3.2283   3.8928   9.3317   6.5902   9.3317   6.5902 -0.000000 0.000000 
1 1 1    0   23   23 o   10.799   7.4236  -0.9962   4.1047  -0.9962   4.1047  -0.9962   4.1047   10.799   7.4236   10.799   7.4236 0.000000 0.000000 
1 1 1    0   23   24 o   11.856   7.9509   0.5814   4.1462   0.5814   4.1462   0.5814   4.1462   11.856   7.9509   11.856   7.9509 0.000000 0.000000 
1 1 1    0   23   25 o   14.924   9.1575   4.1074   4.1272   4.1074   4.1272   4.1074   4.1272   14.924   9.1575   14.924   9.1575 -0.000000 0.000000 
1 1 1    0   23   26 o   15.521   9.3116   5.3469   4.0679   5.3469   4.0679   5.3469   4.0679   15.521   9.3116   15.521   9.3116 0.000000 0.000000 
1 1 1    0   24    0 o   61.511   6.9444   31.084   6.4837   31.084   6.4837   31.084   6.4837   61.511   6.9444   61.511   6.9444 -0.000000 0.000000 
1 1 1    0   24    1 o   22.286   10.551   5.9456   4.1830   5.9456   4.1830   5.9456   4.1830   22.286   10.551   22.286   10.551 0.000000 0.000000 
1 1 1    0   24    2 o   63.439   4.6663   32.371   4.5864   32.371   4.5864   32.371   4.5864   63.439   4.6663   63.439   4.6663 0.000000 0.000000 
1 1 1    0   24    3 o   74.690   4.1433   44.496   4.8221   44.496   4.8221   44.496   4.8221   74.690   4.1433   74.690   4.1433 0.000000 0.000000 
1 1 1    0   24    4 o   10.235   7.1297  -3.6464   4.1149  -3.6464   4.1149  -3.6464   4.1149   10.235   7.1297   10.235   7.1297 0.000000 0.000000 
1 1 1    0   24    5 o   21.757   11.245   5.7859   4.9374   5.7859   4.9374   5.7859   4.9374   21.757   11.245   21.757   11.245 0.000000 0.000000 
1 1 1    0   24    6 f   16.838   10.134   2.5572   4.8493   2.5572   4.8493   2.5572   4.8493   16.838   10.134   16.838   10.134 0.000000 0.000000 
1 1 1    0   24    7 o   21.330   10.899   5.5966   4.6047   5.5966   4.6047   5.5966   4.6047   21.330   10.899   21.330   10.899 0.000000 0.000000 
1 1 1    0   24    8 o   16.642   9.8922   2.7180   4.5107   2.7180   4.5107   2.7180   4.5107   16.642   9.8922   16.642   9.8922 0.000000 0.000000 
1 1 1    0   24    9 o   11.280   7.7576  -2.8580   4.4931  -2.8580   4.4931  -2.8580   4.4931   11.280   7.7576   11.280   7.7576 0.000000 0.000000 
1 1 1    0   24   10 o   15.466   9.3609   2.1555   4.1852   2.1555   4.1852   2.1555   4.1852   15.466   9.3609   15.466   9.3609 0.000000 0.000000 
1 1 1    0   24   11 f   23.602   10.292   6.6657   3.9569   6.6657   3.9569   6.6657   3.9569   23.602   10.292   23.602   10.292 0.000000 0.000000 
1 1 1    0   24   12 o   18.187   9.7136   4.1185   3.7784   4.1185   3.7784   4.1185   3.7784   18.187   9.7136   18.187   9.7136 0.000000 0.000000 
1 1 1    0   24   13 o   13.763   8.5879   1.3169   3.7810   1.3169   3.7810   1.3169   3.7810   13.763   8.5879   13.763   8.5879 0.000000 0.000000 
1 1 1    0   24   14 o   14.521   8.8631   1.9186   3.8203   1.9186   3.8203   1.9186   3.8203   14.521   8.8631   14.521   8.8631 0.000000 0.000000 
1 1 1    0   24   15 o   22.286   10.218   6.2633   3.9020   6.2633   3.9020   6.2633   3.9020   22.286   10.218   22.286   10.218 0.000000 0.000000 
1 1 1    0   24   16 o   25.656   9.9566   7.6860   3.8133   7.6860   3.8133   7.6860   3.8133   25.656   9.9566   25.656   9.9566 0.000000 0.000000 
1 1 1    0   24   17 o   21.051   10.136   5.8541   3.8777   5.8541   3.8777   5.8541   3.8777   21.051   10.136   21.051   10.136 0.000000 0.000000 
1 1 1    0   24   18 o   15.652   9.1739   3.0501   3.7843   3.0501   3.7843   3.0501   3.7843   15.652   9.1739   15.652   9.1739 0.000000 0.000000 
1 1 1    0   24   19 o   15.843   9.1889   3.3997   3.7322   3.3997   3.7322   3.3997   3.7322   15.843   9.1889   15.843   9.1889 0.000000 0.000000 
1 1 1    0   24   20 o   11.062   7.4315  -0.3376   3.6519  -0.3376   3.6519  -0.3376   3.6519   11.062   7.4315   11.062   7.4315 0.000000 0.000000 
1 1 1    0   24   21 o   11.304   7.5506   0.1400   3.6732   0.1400   3.6732   0.1400   3.6732   11.304   7.5506   11.304   7.5506 0.000000 0.000000 
1 1 1    0   24   22 o   10.473   7.1174  -0.4766   3.5436  -0.4766   3.5436  -0.4766   3.5436   10.473   7.1174   10.473   7.1174 0.000000 0.000000 
1 1 1    0   24   23 o   13.766   8.4354   2.8160   3.4912   2.8160   3.4912   2.8160   3.4912   13.766   8.4354   13.766   8.4354 0.000000 0.000000 
1 1 1    0   24   24 o   8.3919   5.9863  -3.2194   3.5098  -3.2194   3.5098  -3.2194   3.5098   8.3919   5.9863   8.3919   5.9863 0.000000 0.000000 
1 1 1    0   24   25 o   11.463   7.6950   1.5952   3.9021   1.5952   3.9021   1.5952   3.9021   11.463   7.6950   11.463   7.6950 -0.000000 0.000000 
1 1 1    0   25    1 o   33.830   10.906   11.858   5.1116   11.858   5.1116   11.858   5.1116   33.830   10.906   33.830   10.906 0.000000 0.000000 
1 1 1    0   25    2 o   17.102   10.210   2.8212   4.8448   2.8212   4.8448   2.8212   4.8448   17.102   10.210   17.102   10.210 0.000000 0.000000 
1 1 1    0   25    3 o   18.125   10.484   3.5994   4.8380   3.5994   4.8380   3.5994   4.8380   18.125   10.484   18.125   10.484 -0.000000 0.000000 
1 1 1    0   25    4 o   29.751   11.235   9.8590   4.9136   9.8590   4.9136   9.8590   4.9136   29.751   11.235   29.751   11.235 0.000000 0.000000 
1 1 1    0   25    5 o   11.048   7.7006  -4.1302   4.8199  -4.1302   4.8199  -4.1302   4.8199   11.048   7.7006   11.048   7.7006 0.000000 0.000000 
1 1 1    0   25    6 o   27.640   11.222   8.8484   4.7681   8.8484   4.7681   8.8484   4.7681   27.640   11.222   27.640   11.222 -0.000000 0.000000 
1 1 1    0   25    7 o   13.456   8.7774  -0.0392   4.5203  -0.0392   4.5203  -0.0392   4.5203   13.456   8.7774   13.456   8.7774 0.000000 0.000000 
1 1 1    0   25    8 o   12.755   8.3616  -0.2293   4.1775  -0.2293   4.1775  -0.2293   4.1775   12.755   8.3616   12.755   8.3616 0.000000 0.000000 
1 1 1    0   25    9 o   11.659   7.8062  -1.0684   3.9684  -1.0684   3.9684  -1.0684   3.9684   11.659   7.8062   11.659   7.8062 -0.000000 0.000000 
1 1 1    0   25   10 o   22.580   10.502   6.3533   4.1295   6.3533   4.1295   6.3533   4.1295   22.580   10.502   22.580   10.502 0.000000 0.000000 
1 1 1    0   25   11 o   6.4538   4.7709 -12.1388   3.7662 -12.1388   3.7662 -12.1388   3.7662   6.4538   4.7709   6.4538   4.7709 0.000000 0.000000 
1 1 1    0   25   12 o   13.659   8.6375   1.0944   3.9650   1.0944   3.9650   1.0944   3.9650   13.659   8.6375   13.659   8.6375 0.000000 0.000000 
1 1 1    0   25   13 o   12.034   7.9617  -0.3876   3.9244  -0.3876   3.9244  -0.3876   3.9244   12.034   7.9617   12.034   7.9617 0.000000 0.000000 
1 1 1    0   25   14 o   22.511   10.308   6.4549   3.9711   6.4549   3.9711   6.4549   3.9711   22.511   10.308   22.511   10.308 0.000000 0.000000 
1 1 1    0   25   15 o   11.674   7.8009  -0.6719   3.9287  -0.6719   3.9287  -0.6719   3.9287   11.674   7.8009   11.674   7.8009 0.000000 0.000000 
1 1 1    0   25   16 o   22.670   10.293   6.6988   3.9566   6.6988   3.9566   6.6988   3.9566   22.670   10.293   22.670   10.293 -0.000000 0.000000 
1 1 1    0   25   17 o   17.262   9.8992   4.1030   4.2582   4.1030   4.2582   4.1030   4.2582   17.262   9.8992   17.262   9.8992 -0.000000 0.000000 
1 1 1    0   25   18 o   10.447   7.2675  -2.4673   4.2364  -2.4673   4.2364  -2.4673   4.2364   10.447   7.2675   10.447   7.2675 -0.000000 0.000000 
1 1 1    0   25   19 o   9.9049   6.9732  -3.1891   4.2506  -3.1891   4.2506  -3.1891   4.2506   9.9049   6.9732   9.9049   6.9732 0.000000 0.000000 
1 1 1    0   25   20 o   13.609   8.7306   2.1090   4.2281   2.1090   4.2281   2.1090   4.2281   13.609   8.7306   13.609   8.7306 0.000000 0.000000 
1 1 1    0   25   21 o   9.7909   6.8209  -1.7940   3.7676  -1.7940   3.7676  -1.7940   3.7676   9.7909   6.8209   9.7909   6.8209 0.000000 0.000000 
1 1 1    0   25   22 o   9.3344   6.5294  -1.9065   3.5518  -1.9065   3.5518  -1.9065   3.5518   9.3344   6.5294   9.3344   6.5294 -0.000000 0.000000 
1 1 1    0   25   23 o   8.6406   6.1375  -2.7401   3.5464  -2.7401   3.5464  -2.7401   3.5464   8.6406   6.1375   8.6406   6.1375 0.000000 0.000000 
1 1 1    0   25   24 o   11.557   7.6512   1.8977   3.6340   1.8977   3.6340   1.8977   3.6340   11.557   7.6512   11.557   7.6512 -0.000000 0.000000 
1 1 1    0   26    0 o   17.506   10.740   2.3093   5.6740   2.3093   5.6740   2.3093   5.6740   17.506   10.740   17.506   10.740 -0.000000 0.000000 
1 1 1    0   26    1 o   39.461   7.4811   13.878   4.1482   13.878   4.1482   13.878   4.1482   39.461   7.4811   39.461   7.4811 0.000000 0.000000 
1 1 1    0   26    2 o   11.203   7.5981  -1.7377   3.9968  -1.7377   3.9968  -1.7377   3.9968   11.203   7.5981   11.203   7.5981 -0.000000 0.000000 
1 1 1    0   26    3 o   13.775   8.7230   0.9301   4.0601   0.9301   4.0601   0.9301   4.0601   13.775   8.7230   13.775   8.7230 -0.000000 0.000000 
1 1 1    0   26    4 o   13.269   8.5093   0.5434   4.0122   0.5434   4.0122   0.5434   4.0122   13.269   8.5093   13.269   8.5093 0.000000 0.000000 
1 1 1    0   26    5 o   32.440   11.261   11.517   5.1735   11.517   5.1735   11.517   5.1735   32.440   11.261   32.440   11.261 0.000000 0.000000 
1 1 1    0   26    6 o   58.100   5.1079   27.701   4.5707   27.701   4.5707   27.701   4.5707   58.100   5.1079   58.100   5.1079 -0.000000 0.000000 
1 1 1    0   26    7 o   30.014   10.035   9.6327   4.2138   9.6327   4.2138   9.6327   4.2138   30.014   10.035   30.014   10.035 0.000000 0.000000 
1 1 1    0   26    8 f   24.940   10.884   7.6305   4.4250   7.6305   4.4250   7.6305   4.4250   24.940   10.884   24.940   10.884 -0.000000 0.000000 
1 1 1    0   26    9 o   17.835   10.353   3.7986   4.7443   3.7986   4.7443   3.7986   4.7443   17.835   10.353   17.835   10.353 -0.000000 0.000000 
1 1 1    0   26   10 o   11.552   7.9284  -2.4432   4.6379  -2.4432   4.6379  -2.4432   4.6379   11.552   7.9284   11.552   7.9284 -0.000000 0.000000 
1 1 1    0   26   11 o   14.406   9.2228   1.0802   4.6889   1.0802   4.6889   1.0802   4.6889   14.406   9.2228   14.406   9.2228 -0.000000 0.000000 
1 1 1    0   26   12 o   20.216   10.785   5.5277   4.6531   5.5277   4.6531   5.5277   4.6531   20.216   10.785   20.216   10.785 -0.000000 0.000000 
1 1 1    0   26   13 o   16.846   9.7594   3.5487   4.2027   3.5487   4.2027   3.5487   4.2027   16.846   9.7594   16.846   9.7594 -0.000000 0.000000 
1 1 1    0   26   14 f   8.8264   6.2898  -4.7950   3.8370  -4.7950   3.8370  -4.7950   3.8370   8.8264   6.2898   8.8264   6.2898 0.000000 0.000000 
1 1 1    0   26   15 o   13.573   8.5882   1.4522   3.9261   1.4522   3.9261   1.4522   3.9261   13.573   8.5882   13.573   8.5882 0.000000 0.000000 
1 1 1    0   26   16 o   9.7479   6.8173  -2.8346   3.8664  -2.8346   3.8664  -2.8346   3.8664   9.7479   6.8173   9.7479   6.8173 0.000000 0.000000 
1 1 1    0   26   17 o   15.683   9.4972   3.4313   4.3126   3.4313   4.3126   3.4313   4.3126   15.683   9.4972   15.683   9.4972 -0.000000 0.000000 
1 1 1    0   26   18 o   9.8441   6.9663  -3.6025   4.4239  -3.6025   4.4239  -3.6025   4.4239   9.8441   6.9663   9.8441   6.9663 -0.000000 0.000000 
1 1 1    0   26   19 o   12.253   8.4760  -0.9006   5.5555  -0.9006   5.5555  -0.9006   5.5555   12.253   8.4760   12.253   8.4760 0.000000 0.000000 
1 1 1    0   26   20 o   12.537   8.3174   1.2327   4.3306   1.2327   4.3306   1.2327   4.3306   12.537   8.3174   12.537   8.3174 0.000000 0.000000 
1 1 1    0   26   21 o   11.331   7.7356  -0.0252   4.2868  -0.0252   4.2868  -0.0252   4.2868   11.331   7.7356   11.331   7.7356 -0.000000 0.000000 
1 1 1    0   26   22 o   9.1340   6.5351  -3.4520   4.3069  -3.4520   4.3069  -3.4520   4.3069   9.1340   6.5351   9.1340   6.5351 -0.000000 0.000000 
1 1 1    0   26   23 o   7.5197   5.5399  -9.2763   4.7002  -9.2763   4.7002  -9.2763   4.7002   7.5197   5.5399   7.5197   5.5399 -0.000000 0.000000 
1 1 1    0   27    1 o   15.572   10.029   0.9960   5.6489   0.9960   5.6489   0.9960   5.6489   15.572   10.029   15.572   10.029 0.000000 0.000000 
1 1 1    0   27    2 o   37.809   11.479   15.066   5.9433   15.066   5.9433   15.066   5.9433   37.809   11.479   37.809   11.479 -0.000000 0.000000 
1 1 1    0   27    3 o   21.202   11.738   5.9127   5.7195   5.9127   5.7195   5.9127   5.7195   21.202   11.738   21.202   11.738 -0.000000 0.000000 
1 1 1    0   27    4 f   8.3838   6.0521  -7.0761   4.0739  -7.0761   4.0739  -7.0761   4.0739   8.3838   6.0521   8.3838   6.0521 -0.000000 0.000000 
1 1 1    0   27    5 f   16.228   10.343   1.6435   5.8159   1.6435   5.8159   1.6435   5.8159   16.228   10.343   16.228   10.343 -0.000000 0.000000 
1 1 1    0   27    6 o   14.044   8.8131   1.3676   4.0415   1.3676   4.0415   1.3676   4.0415   14.044   8.8131   14.044   8.8131 0.000000 0.000000 
1 1 1    0   27    7 o   12.387   8.1969  -0.3866   4.1620  -0.3866   4.1620  -0.3866   4.1620   12.387   8.1969   12.387   8.1969 -0.000000 0.000000 
1 1 1    0   27    8 o   28.930   10.268   9.3783   4.2430   9.3783   4.2430   9.3783   4.2430   28.930   10.268   28.930   10.268 -0.000000 0.000000 
1 1 1    0   27    9 f   36.916   8.4696   13.023   4.2728   13.023   4.2728   13.023   4.2728   36.916   8.4696   36.916   8.4696 0.000000 0.000000 
1 1 1    0   27   10 o   15.569   9.3763   2.6436   4.1562   2.6436   4.1562   2.6436   4.1562   15.569   9.3763   15.569   9.3763 -0.000000 0.000000 
1 1 1    0   27   11 o   15.028   9.1796   2.3321   4.1050   2.3321   4.1050   2.3321   4.1050   15.028   9.1796   15.028   9.1796 -0.000000 0.000000 
1 1 1    0   27   12 o   10.342   7.1818  -2.7120   4.0885  -2.7120   4.0885  -2.7120   4.0885   10.342   7.1818   10.342   7.1818 -0.000000 0.000000 
1 1 1    0   27   13 o   14.611   9.0424   2.1962   4.1061   2.1962   4.1061   2.1962   4.1061   14.611   9.0424   14.611   9.0424 0.000000 0.000000 
1 1 1    0   27   14 o   22.230   10.550   6.9545   4.1843   6.9545   4.1843   6.9545   4.1843   22.230   10.550   22.230   10.550 0.000000 0.000000 
1 1 1    0   27   15 o   13.239   8.4739   1.5223   3.9557   1.5223   3.9557   1.5223   3.9557   13.239   8.4739   13.239   8.4739 -0.000000 0.000000 
1 1 1    0   27   16 o   10.332   7.1348  -1.5754   3.8945  -1.5754   3.8945  -1.5754   3.8945   10.332   7.1348   10.332   7.1348 -0.000000 0.000000 
1 1 1    0   27   17 o   17.219   9.6408   4.8706   3.9108   4.8706   3.9108   4.8706   3.9108   17.219   9.6408   17.219   9.6408 -0.000000 0.000000 
1 1 1    0   27   18 o   27.279   10.036   9.8074   3.9723   9.8074   3.9723   9.8074   3.9723   27.279   10.036   27.279   10.036 -0.000000 0.000000 
1 1 1    0   27   19 o   9.1363   6.4631  -2.8336   3.7961  -2.8336   3.7961  -2.8336   3.7961   9.1363   6.4631   9.1363   6.4631 0.000000 0.000000 
1 1 1    0   27   20 o   9.6075   6.6941  -1.4129   3.6325  -1.4129   3.6325  -1.4129   3.6325   9.6075   6.6941   9.6075   6.6941 0.000000 0.000000 
1 1 1    0   27   21 o   10.561   7.1876   0.4722   3.6408   0.4722   3.6408   0.4722   3.6408   10.561   7.1876   10.561   7.1876 -0.000000 0.000000 
1 1 1    0   27   22 o   8.6288   6.1439  -2.0889   3.6329  -2.0889   3.6329  -2.0889   3.6329   8.6288   6.1439   8.6288   6.1439 -0.000000 0.000000 
1 1 1    0   28    0 o   13.752   9.2629  -1.9145   5.7437  -1.9145   5.7437  -1.9145   5.7437   13.752   9.2629   13.752   9.2629 -0.000000 0.000000 
1 1 1    0   28    1 o   10.555   7.2911  -2.5874   4.0746  -2.5874   4.0746  -2.5874   4.0746   10.555   7.2911   10.555   7.2911 0.000000 0.000000 
1 1 1    0   28    2 f   32.908   11.388   12.222   5.3014   12.222   5.3014   12.222   5.3014   32.908   11.388   32.908   11.388 0.000000 0.000000 
1 1 1    0   28    3 o   14.327   8.9235   1.6668   4.0631   1.6668   4.0631   1.6668   4.0631   14.327   8.9235   14.327   8.9235 0.000000 0.000000 
1 1 1    0   28    4 o   11.547   7.8079  -1.3221   4.1574  -1.3221   4.1574  -1.3221   4.1574   11.547   7.8079   11.547   7.8079 0.000000 0.000000 
1 1 1    0   28    5 o   15.423   9.6078   2.1091   4.7120   2.1091   4.7120   2.1091   4.7120   15.423   9.6078   15.423   9.6078 0.000000 0.000000 
1 1 1    0   28    6 o   10.388   7.1991  -2.7099   4.0543  -2.7099   4.0543  -2.7099   4.0543   10.388   7.1991   10.388   7.1991 -0.000000 0.000000 
1 1 1    0   28    7 o   13.072   8.4924   0.4994   4.1714   0.4994   4.1714   0.4994   4.1714   13.072   8.4924   13.072   8.4924 -0.000000 0.000000 
1 1 1    0   28    8 o   12.427   8.2252  -0.1791   4.1954  -0.1791   4.1954  -0.1791   4.1954   12.427   8.2252   12.427   8.2252 -0.000000 0.000000 
1 1 1    0   28    9 o   9.4677   6.7084  -4.4681   4.1464  -4.4681   4.1464  -4.4681   4.1464   9.4677   6.7084   9.4677   6.7084 0.000000 0.000000 
1 1 1    0   28   10 o   12.248   8.1611  -0.3129   4.2466  -0.3129   4.2466  -0.3129   4.2466   12.248   8.1611   12.248   8.1611 -0.000000 0.000000 
1 1 1    0   28   11 o   10.667   7.3787  -2.2968   4.2086  -2.2968   4.2086  -2.2968   4.2086   10.667   7.3787   10.667   7.3787 -0.000000 0.000000 
1 1 1    0   28   12 o   28.912   11.243   10.771   4.8585   10.771   4.8585   10.771   4.8585   28.912   11.243   28.912   11.243 -0.000000 0.000000 
1 1 1    0   28   13 o   19.338   10.796   6.0604   4.8868   6.0604   4.8868   6.0604   4.8868   19.338   10.796   19.338   10.796 0.000000 0.000000 
1 1 1    0   28   14 o   16.733   10.048   4.4548   4.7451   4.4548   4.7451   4.4548   4.7451   16.733   10.048   16.733   10.048 -0.000000 0.000000 
1 1 1    0   28   15 f   20.159   10.654   6.9027   4.5058   6.9027   4.5058   6.9027   4.5058   20.159   10.654   20.159   10.654 0.000000 0.000000 
1 1 1    0   28   16 o   11.451   7.8469  -0.4896   4.5032  -0.4896   4.5032  -0.4896   4.5032   11.451   7.8469   11.451   7.8469 0.000000 0.000000 
1 1 1    0   28   17 o   11.107   7.6577  -0.7341   4.4435  -0.7341   4.4435  -0.7341   4.4435   11.107   7.6577   11.107   7.6577 0.000000 0.000000 
1 1 1    0   28   18 o   14.425   9.1850   3.4643   4.5744   3.4643   4.5744   3.4643   4.5744   14.425   9.1850   14.425   9.1850 0.000000 0.000000 
1 1 1    0   28   19 o   14.703   9.5997   4.3954   5.4237   4.3954   5.4237   4.3954   5.4237   14.703   9.5997   14.703   9.5997 0.000000 0.000000 
1 1 1    0   28   20 o   10.370   7.3932  -1.6967   5.3251  -1.6967   5.3251  -1.6967   5.3251   10.370   7.3932   10.370   7.3932 -0.000000 0.000000 
1 1 1    0   28   21 o   13.912   9.1196   5.3568   4.9676   5.3568   4.9676   5.3568   4.9676   13.912   9.1196   13.912   9.1196 0.000000 0.000000 
1 1 1    0   29    1 o   10.443   7.2421  -2.7056   4.1218  -2.7056   4.1218  -2.7056   4.1218   10.443   7.2421   10.443   7.2421 0.000000 0.000000 
1 1 1    0   29    2 o   12.114   8.0744  -0.4779   4.1628  -0.4779   4.1628  -0.4779   4.1628   12.114   8.0744   12.114   8.0744 -0.000000 0.000000 
1 1 1    0   29    3 f   13.241   8.5199   0.8767   4.0655   0.8767   4.0655   0.8767   4.0655   13.241   8.5199   13.241   8.5199 0.000000 0.000000 
1 1 1    0   29    4 o   16.930   9.7738   3.7281   4.1925   3.7281   4.1925   3.7281   4.1925   16.930   9.7738   16.930   9.7738 -0.000000 0.000000 
1 1 1    0   29    5 o   11.263   7.6843  -1.5830   4.2169  -1.5830   4.2169  -1.5830   4.2169   11.263   7.6843   11.263   7.6843 -0.000000 0.000000 
1 1 1    0   29    6 o   14.884   9.1965   2.2954   4.2307   2.2954   4.2307   2.2954   4.2307   14.884   9.1965   14.884   9.1965 -0.000000 0.000000 
1 1 1    0   29    7 o   11.925   8.0243  -0.7196   4.2905  -0.7196   4.2905  -0.7196   4.2905   11.925   8.0243   11.925   8.0243 -0.000000 0.000000 
1 1 1    0   29    8 o   8.6493   6.2189  -5.9712   4.1083  -5.9712   4.1083  -5.9712   4.1083   8.6493   6.2189   8.6493   6.2189 -0.000000 0.000000 
1 1 1    0   29    9 o   9.5915   6.7884  -4.0450   4.2056  -4.0450   4.2056  -4.0450   4.2056   9.5915   6.7884   9.5915   6.7884 0.000000 0.000000 
1 1 1    0   29   10 o   13.500   8.8972   0.9585   4.8260   0.9585   4.8260   0.9585   4.8260   13.500   8.8972   13.500   8.8972 0.000000 0.000000 
1 1 1    0   29   11 o   11.002   7.6564  -2.2638   4.7117  -2.2638   4.7117  -2.2638   4.7117   11.002   7.6564   11.002   7.6564 -0.000000 0.000000 
1 1 1    0   29   12 o   17.826   10.310   5.3712   4.6785   5.3712   4.6785   5.3712   4.6785   17.826   10.310   17.826   10.310 -0.000000 0.000000 
1 1 1    0   29   13 o   11.990   8.1690  -0.1902   4.7303  -0.1902   4.7303  -0.1902   4.7303   11.990   8.1690   11.990   8.1690 0.000000 0.000000 
1 1 1    0   29   14 o   12.920   8.5904   1.3840   4.6617   1.3840   4.6617   1.3840   4.6617   12.920   8.5904   12.920   8.5904 0.000000 0.000000 
1 1 1    0   29   15 o   11.708   7.8148   0.7690   3.9233   0.7690   3.9233   0.7690   3.9233   11.708   7.8148   11.708   7.8148 0.000000 0.000000 
1 1 1    0   29   16 o   11.454   7.7055   0.5763   3.9509   0.5763   3.9509   0.5763   3.9509   11.454   7.7055   11.454   7.7055 0.000000 0.000000 
1 1 1    0   29   17 o   23.875   10.242   8.8929   3.9258   8.8929   3.9258   8.8929   3.9258   23.875   10.242   23.875   10.242 0.000000 0.000000 
1 1 1    0   29   18 o   7.7104   5.6040  -5.3468   3.8148  -5.3468   3.8148  -5.3468   3.8148   7.7104   5.6040   7.7104   5.6040 0.000000 0.000000 
1 1 1    0   29   19 o   9.2055   6.4910  -1.1147   3.7292  -1.1147   3.7292  -1.1147   3.7292   9.2055   6.4910   9.2055   6.4910 0.000000 0.000000 
1 1 1    0   30    0 o   13.803   9.5265  -3.8140   6.9196  -3.8140   6.9196  -3.8140   6.9196   13.803   9.5265   13.803   9.5265 0.000000 0.000000 
1 1 1    0   30    1 o   11.583   7.9927  -2.1954   4.8655  -2.1954   4.8655  -2.1954   4.8655   11.583   7.9927   11.583   7.9927 0.000000 0.000000 
1 1 1    0   30    2 o   15.867   9.8018   3.0095   4.8037   3.0095   4.8037   3.0095   4.8037   15.867   9.8018   15.867   9.8018 0.000000 0.000000 
1 1 1    0   30    3 o   13.290   8.8102   0.3559   4.8434   0.3559   4.8434   0.3559   4.8434   13.290   8.8102   13.290   8.8102 0.000000 0.000000 
1 1 1    0   30    4 o   19.958   11.009   6.1713   5.0116   6.1713   5.0116   6.1713   5.0116   19.958   11.009   19.958   11.009 0.000000 0.000000 
1 1 1    0   30    5 f   12.918   8.6553   0.0059   4.8941   0.0059   4.8941   0.0059   4.8941   12.918   8.6553   12.918   8.6553 0.000000 0.000000 
1 1 1    0   30    6 o   9.6528   6.8236  -3.7460   4.2065  -3.7460   4.2065  -3.7460   4.2065   9.6528   6.8236   9.6528   6.8236 -0.000000 0.000000 
1 1 1    0   30    7 o   14.762   9.1695   2.7627   4.2612   2.7627   4.2612   2.7627   4.2612   14.762   9.1695   14.762   9.1695 -0.000000 0.000000 
1 1 1    0   30    8 o   16.458   9.6832   4.1886   4.2435   4.1886   4.2435   4.1886   4.2435   16.458   9.6832   16.458   9.6832 0.000000 0.000000 
1 1 1    0   30    9 o   15.358   9.3583   3.5305   4.2436   3.5305   4.2436   3.5305   4.2436   15.358   9.3583   15.358   9.3583 0.000000 0.000000 
1 1 1    0   30   10 o   11.586   7.9733  -0.8947   4.7660  -0.8947   4.7660  -0.8947   4.7660   11.586   7.9733   11.586   7.9733 -0.000000 0.000000 
1 1 1    0   30   11 o   14.887   9.1515   3.4982   4.1391   3.4982   4.1391   3.4982   4.1391   14.887   9.1515   14.887   9.1515 0.000000 0.000000 
1 1 1    0   30   12 o   19.418   10.133   6.4827   4.0357   6.4827   4.0357   6.4827   4.0357   19.418   10.133   19.418   10.133 -0.000000 0.000000 
1 1 1    0   30   13 o   9.7805   6.8725  -2.1839   4.0684  -2.1839   4.0684  -2.1839   4.0684   9.7805   6.8725   9.7805   6.8725 0.000000 0.000000 
1 1 1    0   30   14 o   10.070   7.0173  -1.4048   3.9964  -1.4048   3.9964  -1.4048   3.9964   10.070   7.0173   10.070   7.0173 -0.000000 0.000000 
1 1 1    0   30   15 o   17.523   9.7836   5.9023   4.0139   5.9023   4.0139   5.9023   4.0139   17.523   9.7836   17.523   9.7836 -0.000000 0.000000 
1 1 1    0   30   16 o   6.7512   4.9792  -9.1773   3.8881  -9.1773   3.8881  -9.1773   3.8881   6.7512   4.9792   6.7512   4.9792 -0.000000 0.000000 
1 1 1    0   30   17 o   11.177   7.5575   1.6060   3.8941   1.6060   3.8941   1.6060   3.8941   11.177   7.5575   11.177   7.5575 0.000000 0.000000 
1 1 1    0   30   18 o   12.564   8.5531   3.9813   5.1618   3.9813   5.1618   3.9813   5.1618   12.564   8.5531   12.564   8.5531 -0.000000 0.000000 
1 1 1    0   31    1 o   10.976   7.5427  -1.2454   4.2295  -1.2454   4.2295  -1.2454   4.2295   10.976   7.5427   10.976   7.5427 0.000000 0.000000 
1 1 1    0   31    2 o   14.644   9.1426   2.8419   4.2912   2.8419   4.2912   2.8419   4.2912   14.644   9.1426   14.644   9.1426 0.000000 0.000000 
1 1 1    0   31    3 f   7.8342   5.7100  -7.7419   4.1254  -7.7419   4.1254  -7.7419   4.1254   7.8342   5.7100   7.8342   5.7100 -0.000000 0.000000 
1 1 1    0   31    4 o   15.189   9.3769   3.3938   4.3894   3.3938   4.3894   3.3938   4.3894   15.189   9.3769   15.189   9.3769 0.000000 0.000000 
1 1 1    0   31    5 o   10.920   7.5086  -1.0614   4.2044  -1.0614   4.2044  -1.0614   4.2044   10.920   7.5086   10.920   7.5086 -0.000000 0.000000 
1 1 1    0   31    6 o   11.759   7.9307   0.1532   4.2360   0.1532   4.2360   0.1532   4.2360   11.759   7.9307   11.759   7.9307 -0.000000 0.000000 
1 1 1    0   31    7 o   16.406   9.6901   4.6264   4.2788   4.6264   4.2788   4.6264   4.2788   16.406   9.6901   16.406   9.6901 0.000000 0.000000 
1 1 1    0   31    8 o   14.259   9.1403   2.9517   4.6229   2.9517   4.6229   2.9517   4.6229   14.259   9.1403   14.259   9.1403 -0.000000 0.000000 
1 1 1    0   31    9 o   12.342   8.3556   0.7045   4.7898   0.7045   4.7898   0.7045   4.7898   12.342   8.3556   12.342   8.3556 0.000000 0.000000 
1 1 1    0   31   10 o   10.928   7.8139  -4.1172   6.1218  -4.1172   6.1218  -4.1172   6.1218   10.928   7.8139   10.928   7.8139 -0.000000 0.000000 
1 1 1    0   31   11 o   17.751   10.466   6.4863   4.9763   6.4863   4.9763   6.4863   4.9763   17.751   10.466   17.751   10.466 0.000000 0.000000 
1 1 1    0   31   12 o   8.7230   6.3867  -9.3842   5.5523  -9.3842   5.5523  -9.3842   5.5523   8.7230   6.3867   8.7230   6.3867 0.000000 0.000000 
1 1 1    0   31   13 o   9.3197   6.7706  -6.5504   5.5327  -6.5504   5.5327  -6.5504   5.5327   9.3197   6.7706   9.3197   6.7706 0.000000 0.000000 
1 1 1    0   31   14 o   19.605   11.359   10.252   5.6946   10.252   5.6946   10.252   5.6946   19.605   11.359   19.605   11.359 0.000000 0.000000 
1 1 1    0   31   15 o   17.208   10.712   9.5339   5.8471   9.5339   5.8471   9.5339   5.8471   17.208   10.712   17.208   10.712 0.000000 0.000000 
1 1 1    0   31   16 o   10.310   7.2643   0.2777   4.6415   0.2777   4.6415   0.2777   4.6415   10.310   7.2643   10.310   7.2643 -0.000000 0.000000 
1 1 1    0   32    0 o   19.712   11.649   5.9635   6.1884   5.9635   6.1884   5.9635   6.1884   19.712   11.649   19.712   11.649 0.000000 0.000000 
1 1 1    0   32    1 o   13.755   8.8094   2.6455   4.2828   2.6455   4.2828   2.6455   4.2828   13.755   8.8094   13.755   8.8094 -0.000000 0.000000 
1 1 1    0   32    2 o   11.564   7.9859  -0.6368   4.8822  -0.6368   4.8822  -0.6368   4.8822   11.564   7.9859   11.564   7.9859 0.000000 0.000000 
1 1 1    0   32    3 o   22.049   11.374   9.0870   5.0445   9.0870   5.0445   9.0870   5.0445   22.049   11.374   22.049   11.374 0.000000 0.000000 
1 1 1    0   32    4 o   11.153   7.7774  -1.3307   4.9310  -1.3307   4.9310  -1.3307   4.9310   11.153   7.7774   11.153   7.7774 0.000000 0.000000 
1 1 1    0   32    5 o   9.9010   7.0544  -3.6426   4.8190  -3.6426   4.8190  -3.6426   4.8190   9.9010   7.0544   9.9010   7.0544 -0.000000 0.000000 
1 1 1    0   32    6 o   16.811   10.133   5.6395   4.8621   5.6395   4.8621   5.6395   4.8621   16.811   10.133   16.811   10.133 -0.000000 0.000000 
1 1 1    0   32    7 o   7.5782   5.5670  -9.4854   4.4793  -9.4854   4.4793  -9.4854   4.4793   7.5782   5.5670   7.5782   5.5670 -0.000000 0.000000 
1 1 1    0   32    8 o   12.509   8.2937   1.7087   4.2953   1.7087   4.2953   1.7087   4.2953   12.509   8.2937   12.509   8.2937 0.000000 0.000000 
1 1 1    0   32    9 o   12.100   8.0907   1.3920   4.2369   1.3920   4.2369   1.3920   4.2369   12.100   8.0907   12.100   8.0907 -0.000000 0.000000 
1 1 1    0   32   10 o   12.419   8.4208   1.5834   4.9038   1.5834   4.9038   1.5834   4.9038   12.419   8.4208   12.419   8.4208 0.000000 0.000000 
1 1 1    0   32   11 o   12.118   7.9994   2.1019   3.9258   2.1019   3.9258   2.1019   3.9258   12.118   7.9994   12.118   7.9994 -0.000000 0.000000 
1 1 1    0   32   12 o   6.8759   5.0683  -8.6732   3.9792  -8.6732   3.9792  -8.6732   3.9792   6.8759   5.0683   6.8759   5.0683 0.000000 0.000000 
1 1 1    0   32   13 o   10.932   7.4479   1.5524   3.9308   1.5524   3.9308   1.5524   3.9308   10.932   7.4479   10.932   7.4479 0.000000 0.000000 
1 1 1    0   32   14 o   13.287   8.5060   4.5493   3.9874   4.5493   3.9874   4.5493   3.9874   13.287   8.5060   13.287   8.5060 -0.000000 0.000000 
1 1 1    0   33    1 o   13.724   8.8330   3.0889   4.3738   3.0889   4.3738   3.0889   4.3738   13.724   8.8330   13.724   8.8330 -0.000000 0.000000 
1 1 1    0   33    2 o   9.4574   6.7159  -2.8455   4.2368  -2.8455   4.2368  -2.8455   4.2368   9.4574   6.7159   9.4574   6.7159 -0.000000 0.000000 
1 1 1    0   33    3 o   7.7235   5.6461  -7.5085   4.2260  -7.5085   4.2260  -7.5085   4.2260   7.7235   5.6461   7.7235   5.6461 0.000000 0.000000 
1 1 1    0   33    4 o   25.394   11.790   11.944   5.2032   11.944   5.2032   11.944   5.2032   25.394   11.790   25.394   11.790 -0.000000 0.000000 
1 1 1    0   33    5 o   8.6729   6.2548  -4.7091   4.3018  -4.7091   4.3018  -4.7091   4.3018   8.6729   6.2548   8.6729   6.2548 0.000000 0.000000 
1 1 1    0   33    6 o   9.8008   6.9979  -3.0803   4.8397  -3.0803   4.8397  -3.0803   4.8397   9.8008   6.9979   9.8008   6.9979 -0.000000 0.000000 
1 1 1    0   33    7 o   13.467   8.9251   3.4256   4.9661   3.4256   4.9661   3.4256   4.9661   13.467   8.9251   13.467   8.9251 0.000000 0.000000 
1 1 1    0   33    8 o   11.011   7.7137   0.0333   5.0122   0.0333   5.0122   0.0333   5.0122   11.011   7.7137   11.011   7.7137 -0.000000 0.000000 
1 1 1    0   33    9 o   13.152   8.7582   4.0145   4.8778   4.0145   4.8778   4.0145   4.8778   13.152   8.7582   13.152   8.7582 0.000000 0.000000 
1 1 1    0   33   10 o   12.438   8.8077   3.7309   7.1104   3.7309   7.1104   3.7309   7.1104   12.438   8.8077   12.438   8.8077 0.000000 0.000000 
1 1 1    0   33   11 o   10.600   7.4214   1.0954   4.6198   1.0954   4.6198   1.0954   4.6198   10.600   7.4214   10.600   7.4214 -0.000000 0.000000 
1 1 1    0   34    0 o   11.936   8.3878  -2.6808   6.0652  -2.6808   6.0652  -2.6808   6.0652   11.936   8.3878   11.936   8.3878 0.000000 0.000000 
1 1 1    0   34    1 o   10.788   7.4558   0.6443   4.2743   0.6443   4.2743   0.6443   4.2743   10.788   7.4558   10.788   7.4558 -0.000000 0.000000 
1 1 1    0   34    2 o   11.628   7.8753   1.9559   4.2634   1.9559   4.2634   1.9559   4.2634   11.628   7.8753   11.628   7.8753 0.000000 0.000000 
1 1 1    0   34    3 o   10.718   7.4266   0.7000   4.3113   0.7000   4.3113   0.7000   4.3113   10.718   7.4266   10.718   7.4266 0.000000 0.000000 
1 1 1    0   34    4 o   9.0794   6.5688  -3.7318   4.9313  -3.7318   4.9313  -3.7318   4.9313   9.0794   6.5688   9.0794   6.5688 0.000000 0.000000 
1 1 1    0   34    5 o   13.583   8.6926   4.6067   4.1600   4.6067   4.1600   4.6067   4.1600   13.583   8.6926   13.583   8.6926 0.000000 0.000000 
1 1 1    0   34    6 o   11.750   7.9162   2.8189   4.1988   2.8189   4.1988   2.8189   4.1988   11.750   7.9162   11.750   7.9162 -0.000000 0.000000 
1 1 1    0   34    7 o   10.270   7.1545   0.9150   4.1430   0.9150   4.1430   0.9150   4.1430   10.270   7.1545   10.270   7.1545 0.000000 0.000000 
1 1 1    0   34    8 o   11.526   7.7942   2.9664   4.1436   2.9664   4.1436   2.9664   4.1436   11.526   7.7942   11.526   7.7942 0.000000 0.000000 
1 1 1    1    0    1 o  853.310   6.4416  5717.48   86.249  5717.48   86.249  5717.48   86.249  853.310   6.4416  853.310   6.4416 -0.000000 0.000000 
1 1 1    1    0    2 o  429.479   3.1581  1447.73   21.283  1447.73   21.283  1447.73   21.283  429.479   3.1581  429.479   3.1581 -0.000000 0.000000 
1 1 1    1    0    3 o  602.426   4.1987  2848.72   39.690  2848.72   39.690  2848.72   39.690  602.426   4.1987  602.426   4.1987 -0.000000 0.000000 
1 1 1    1    0    4 o  441.580   3.2326  1530.47   22.398  1530.47   22.398  1530.47   22.398  441.580   3.2326  441.580   3.2326 0.000000 0.000000 
1 1 1    1    0    5 o  112.727   2.1460   99.822   3.7932   99.822   3.7932   99.822   3.7932  112.727   2.1460  112.727   2.1460 -0.000000 0.000000 
1 1 1    1    0    6 o  144.368   1.9553  163.638   4.4281  163.638   4.4281  163.638   4.4281  144.368   1.9553  144.368   1.9553 0.000000 0.000000 
1 1 1    1    0    7 o  657.943   4.1665  3397.98   43.015  3397.98   43.015  3397.98   43.015  657.943   4.1665  657.943   4.1665 0.000000 0.000000 
1 1 1    1    0    8 o  651.969   7.1942  3339.70   73.586  3339.70   73.586  3339.70   73.586  651.969   7.1942  651.969   7.1942 -0.000000 0.000000 
1 1 1    1    0    9 o  391.519   2.7198  1203.16   16.709  1203.16   16.709  1203.16   16.709  391.519   2.7198  391.519   2.7198 -0.000000 0.000000 
1 1 1    1    0   10 o  349.573   3.0669  959.329   16.821  959.329   16.821  959.329   16.821  349.573   3.0669  349.573   3.0669 0.000000 0.000000 
1 1 1    1    0   11 o  118.532   1.9899  110.347   3.6991  110.347   3.6991  110.347   3.6991  118.532   1.9899  118.532   1.9899 -0.000000 0.000000 
1 1 1    1    0   12 o  440.154   3.6406  1520.89   25.143  1520.89   25.143  1520.89   25.143  440.154   3.6406  440.154   3.6406 0.000000 0.000000 
1 1 1    1    0   13 o  313.067   4.0448  769.638   19.865  769.638   19.865  769.638   19.865  313.067   4.0448  313.067   4.0448 -0.000000 0.000000 
1 1 1    1    0   14 o   87.889   2.4264   60.754   3.3408   60.754   3.3408   60.754   3.3408   87.889   2.4264   87.889   2.4264 0.000000 0.000000 
1 1 1    1    0   15 o  178.794   2.2184  250.969   6.2223  250.969   6.2223  250.969   6.2223  178.794   2.2184  178.794   2.2184 0.000000 0.000000 
1 1 1    1    0   16 o  765.981   5.8780  4608.32   70.647  4608.32   70.647  4608.32   70.647  765.981   5.8780  765.981   5.8780 -0.000000 0.000000 
1 1 1    1    0   17 o  303.703   2.8190  724.079   13.433  724.079   13.433  724.079   13.433  303.703   2.8190  303.703   2.8190 -0.000000 0.000000 
1 1 1    1    0   18 o   39.281   2.9290   12.313   1.7819   12.313   1.7819   12.313   1.7819   39.281   2.9290   39.281   2.9290 0.000000 0.000000 
1 1 1    1    0   19 o  153.334   2.1173  184.651   5.0925  184.651   5.0925  184.651   5.0925  153.334   2.1173  153.334   2.1173 0.000000 0.000000 
1 1 1    1    0   20 o   72.593   2.1409   41.479   2.4341   41.479   2.4341   41.479   2.4341   72.593   2.1409   72.593   2.1409 -0.000000 0.000000 
1 1 1    1    0   21 o  112.440   3.9379   99.800   6.9292   99.800   6.9292   99.800   6.9292  112.440   3.9379  112.440   3.9379 -0.000000 0.000000 
1 1 1    1    1    0 o  1709.05   12.616 22970.81  338.335 22970.81  338.335 22970.81  338.335  1709.05   12.616  1709.05   12.616 0.000000 0.000000 
1 1 1    1    1    1 o  488.319   2.7743  1871.43   21.260  1884.92   30.272  1858.29   29.864  490.026   3.9366  486.553   3.9112 3.472412 5.549247 
1 1 1    1    1    2 o  539.510   2.8447  2284.38   24.085  2286.51   36.139  2282.68   32.305  539.688   4.2670  539.262   3.8173 0.4264526 5.725301 
1 1 1    1    1    3 o  393.197   2.0937  1213.24   12.919  1197.59   18.055  1229.66   18.493  390.630   2.9453  395.825   2.9771 -5.194855 4.187793 
1 1 1    1    1    4 o  540.718   2.3742  2294.48   20.147  2286.87   29.568  2301.07   27.525  539.774   3.4907  541.460   3.2393 -1.685425 4.762095 
1 1 1    1    1    5 o  901.766   3.7705  6383.06   53.358  6408.96   78.881  6361.21   72.449  903.393   5.5640  900.077   5.1291 3.316223 7.567439 
1 1 1    1    1    6 o  217.795   1.4567  372.217   4.9789  363.944   6.9660  380.858   7.1190  215.354   2.0612  220.302   2.0592 -4.947495 2.913547 
1 1 1    1    1    7 o  239.107   1.6142  448.637   6.0569  445.770   9.0644  450.950   8.1414  238.329   2.4236  239.714   2.1642 -1.385208 3.249220 
1 1 1    1    1    8 o  446.976   3.0039  1568.17   21.070  1555.42   36.217  1574.69   25.906  445.006   5.1861  447.865   3.6859 -2.859680 6.362522 
1 1 1    1    1    9 o  378.955   1.8708  1127.01   11.125  1145.21   15.952  1109.77   15.524  381.970   2.6612  376.013   2.6309 5.956543 3.742143 
1 1 1    1    1   10 o  102.188   1.1732   81.943   1.8814   79.781   2.7783   83.773   2.5568  100.826   1.7559  103.320   1.5769 -2.493286 2.360025 
1 1 1    1    1   11 o  183.674   1.4565  264.740   4.1981  269.208   5.6908  259.405   6.2181  185.209   1.9580  181.801   2.1795 3.407837 2.929814 
1 1 1    1    1   12 o  307.135   1.6285  740.261   7.8494  745.155   11.154  735.460   11.048  308.132   2.3067  306.121   2.2998 2.010803 3.257277 
1 1 1    1    1   13 o   96.567   1.1726   73.173   1.7769   73.175   2.5287   73.172   2.4975   96.565   1.6686   96.564   1.6481 0.1853943E-02 2.345360 
1 1 1    1    1   14 o  263.777   1.6404  545.991   6.7906  552.808   9.6786  539.382   9.5297  265.407   2.3238  262.164   2.3163 3.242737 3.281044 
1 1 1    1    1   15 o  427.114   2.3792  1431.70   15.947  1423.86   23.802  1438.09   21.482  425.890   3.5612  428.030   3.1981 -2.140625 4.786439 
1 1 1    1    1   16 o  259.455   1.8212  528.285   7.4154  516.613   11.927  535.639   9.4675  256.539   2.9626  261.242   2.3093 -4.702454 3.756358 
1 1 1    1    1   17 o  200.153   1.7208  314.395   5.4050  316.146   8.3370  313.126   7.0991  200.686   2.6472  199.736   2.2648 0.9498596 3.483851 
1 1 1    1    1   18 o  101.134   1.4710   80.271   2.3347   82.627   3.3624   78.077   3.2442  102.597   2.0883   99.732   2.0729 2.864853 2.942434 
1 1 1    1    1   19 o  251.574   2.0845  496.938   8.2295  495.701   11.605  498.190   11.672  251.176   2.9442  251.805   2.9536 -0.6286926 4.170436 
1 1 1    1    1   20 o  113.934   2.1489  101.967   3.8423  105.443   5.3710   98.323   5.4989  115.766   2.9588  111.767   3.1382 3.998909 4.313115 
1 1 1    1    1   21 o  162.940   2.2074  208.632   5.6445  209.598   7.8729  207.609   8.0969  163.203   3.0740  162.410   3.1768 0.7924957 4.420588 
1 1 1    1    1   22 o   91.188   2.1699   65.369   3.1052   63.925   4.2454   67.030   4.5536   90.047   3.0085   92.190   3.1521 -2.142494 4.357408 
1 1 1    1    1   24 o   55.339   3.0940   24.249   2.6762   22.990   3.6872   25.650   3.8905   53.623   4.4209   56.662   4.4099 -3.038853 6.244345 
1 1 1    1    2    0 o  835.524   4.4710  5479.58   58.620  5479.58   58.620  5479.58   58.620  835.524   4.4710  835.524   4.4710 -0.000000 0.000000 
1 1 1    1    2    1 o  462.919   2.1756  1681.67   15.805  1675.11   24.373  1686.43   20.762  461.975   3.3618  463.552   2.8541 -1.577606 4.409946 
1 1 1    1    2    2 o  852.921   3.2253  5709.73   43.171  5729.49   61.299  5690.28   60.808  854.277   4.5725  851.351   4.5514 2.925781 6.451578 
1 1 1    1    2    3 o  514.772   2.0560  2079.48   16.609  2077.56   23.466  2081.41   23.512  514.504   2.9063  514.982   2.9093 -0.4772339 4.112265 
1 1 1    1    2    4 o  524.114   2.0873  2155.65   17.168  2171.88   24.455  2139.88   24.106  526.052   2.9624  522.163   2.9418 3.889282 4.174897 
1 1 1    1    2    5 o  524.959   2.5254  2162.72   20.805  2139.89   30.551  2182.47   28.411  522.128   3.7286  527.311   3.4333 -5.183350 5.068515 
1 1 1    1    2    6 o  347.133   1.6281  945.584   8.8690  944.408   12.523  946.768   12.562  346.904   2.3003  347.337   2.3047 -0.4329224 3.256261 
1 1 1    1    2    7 o  488.812   2.1918  1875.11   16.813  1853.47   22.668  1901.59   25.067  485.951   2.9724  492.205   3.2453 -6.254150 4.400832 
1 1 1    1    2    8 o  104.850   1.5064   86.268   2.4786   92.219   3.7799   81.779   3.2829  108.400   2.2220  102.081   2.0493 6.318535 3.022719 
1 1 1    1    2    9 f  486.599   2.0354  1858.29   15.543  1859.36   22.772  1857.34   21.267  486.681   2.9817  486.431   2.7860 0.2502747 4.080698 
1 1 1    1    2   10 o  204.939   1.1821  329.578   3.8017  326.672   5.5558  332.136   5.2134  204.024   1.7352  205.725   1.6148 -1.701614 2.370399 
1 1 1    1    2   11 o  262.246   1.4964  539.689   6.1582  545.148   8.7754  534.392   8.6440  263.554   2.1217  260.941   2.1109 2.612732 2.992934 
1 1 1    1    2   12 o  339.798   1.7503  906.094   9.3336  898.514   13.116  913.870   13.285  338.353   2.4701  341.232   2.4809 -2.878693 3.500927 
1 1 1    1    2   13 o  268.807   1.5239  567.010   6.4284  569.657   9.1254  564.403   9.0572  269.423   2.1583  268.178   2.1521 1.245300 3.047924 
1 1 1    1    2   14 o  471.056   2.2289  1741.36   16.476  1748.97   23.404  1733.88   23.199  472.048   3.1594  470.007   3.1453 2.040344 4.458107 
1 1 1    1    2   15 o  303.027   1.7111  720.585   8.1370  714.280   12.014  725.929   11.060  301.678   2.5376  304.134   2.3173 -2.455994 3.436510 
1 1 1    1    2   16 o  155.609   1.2594  190.010   3.0754  191.267   4.3708  188.779   4.3282  156.116   1.7840  155.098   1.7782 1.018524 2.518927 
1 1 1    1    2   17 o  197.903   1.3932  307.350   4.3269  307.266   6.4149  307.420   5.8610  197.862   2.0660  197.916   1.8870 -0.5409241E-01 2.798056 
1 1 1    1    2   18 o  231.843   1.5626  421.860   5.6852  417.616   8.0082  426.172   8.0723  230.647   2.2125  232.998   2.2077 -2.351181 3.125528 
1 1 1    1    2   19 o   87.472   1.3911   60.056   1.9096   61.321   2.7440   58.868   2.6591   88.375   1.9785   86.590   1.9569 1.785042 2.782811 
1 1 1    1    2   20 o  302.678   2.0161  719.555   9.5762  715.628   13.483  723.552   13.603  301.704   2.8478  303.368   2.8573 -1.663849 4.034121 
1 1 1    1    2   21 o  140.156   1.5326  154.248   3.3710  152.672   4.7445  155.855   4.7904  139.387   2.1690  140.833   2.1675 -1.445740 3.066377 
1 1 1    1    2   22 o  190.721   1.8902  285.830   5.6574  281.500   7.8578  290.491   8.1519  189.139   2.6474  192.124   2.7038 -2.984894 3.784055 
1 1 1    1    2   23 o   75.456   3.4284   45.038   4.0491   45.038   4.0491   0.0000   0.0000   75.456   3.4284  ?   ?  0.000000 3.428403 
1 1 1    1    2   24 o   29.203   4.2810   6.9084   1.9037   8.0875   2.6237   5.5977   2.7663   31.361   5.5334   25.860   6.7466 5.500427 8.725576 
1 1 1    1    2   25 o   25.289   4.5609   5.2547   1.7434   2.2654   2.3502   8.9125   2.5998   18.031   6.4979   32.955   5.1992 -14.92421 8.321875 
1 1 1    1    2   26 o   62.500   2.3931   30.893   2.3429   32.483   3.2238   29.113   3.4108   63.888   3.2259   60.365   3.6171 3.523781 4.846626 
1 1 1    1    2   27 o   13.824   5.8482   0.2821   2.1872   0.2821   2.1872   0.0000   0.0000   13.824   5.8482  ?   ?  0.000000 5.848220 
1 1 1    1    3    0 o  103.302   1.4676   83.787   2.3780   83.787   2.3780   83.787   2.3780  103.302   1.4676  103.302   1.4676 0.000000 0.000000 
1 1 1    1    3    1 o  466.858   1.9050  1710.36   13.957  1690.16   19.520  1731.50   19.963  464.070   2.6803  469.710   2.7083 -5.640076 3.810357 
1 1 1    1    3    2 o  368.334   1.9198  1064.64   11.097  1057.21   16.355  1070.98   15.106  367.025   2.8396  369.413   2.6057 -2.387848 3.853963 
1 1 1    1    3    3 o  675.164   2.6082  3577.45   27.635  3575.98   39.069  3578.92   39.095  674.964   3.6885  675.241   3.6894 -0.2773438 5.216965 
1 1 1    1    3    4 o  237.805   1.4174  443.754   5.2897  444.174   7.4781  443.334   7.4834  237.911   2.0029  237.686   2.0063 0.2249146 2.834936 
1 1 1    1    3    5 o  846.985   3.2084  5630.51   42.646  5634.29   60.353  5626.74   60.267  847.153   4.5397  846.585   4.5363 0.5676880 6.417740 
1 1 1    1    3    6 o  837.350   3.1753  5503.27   41.725  5542.09   59.454  5465.59   58.572  840.172   4.5093  834.357   4.4734 5.814941 6.351744 
1 1 1    1    3    7 o  831.213   3.1558  5423.13   41.165  5426.52   58.254  5419.76   58.179  831.330   4.4652  830.812   4.4623 0.5172729 6.312691 
1 1 1    1    3    8 o  357.765   1.8909  1004.47   10.616  1020.03   15.934  992.058   14.236  360.491   2.8165  355.525   2.5516 4.966034 3.800453 
1 1 1    1    3    9 o  233.896   1.2672  429.297   4.6512  425.948   6.7807  432.274   6.3920  232.970   1.8547  234.696   1.7355 -1.726379 2.540034 
1 1 1    1    3   10 o  182.013   1.1162  259.965   3.1883  263.639   4.5457  256.407   4.4732  183.289   1.5804  180.757   1.5769 2.531357 2.232544 
1 1 1    1    3   11 o  224.015   1.2088  393.788   4.2495  391.268   5.9945  396.333   6.0251  223.289   1.7107  224.730   1.7084 -1.440857 2.417700 
1 1 1    1    3   12 o  530.743   2.2745  2210.71   18.944  2210.82   26.798  2210.60   26.784  530.703   3.2176  530.677   3.2161 0.2587891E-01 4.549375 
1 1 1    1    3   13 o  283.497   1.4627  630.674   6.5076  626.437   9.1689  634.974   9.2377  282.534   2.0679  284.453   2.0694 -1.918701 2.925544 
1 1 1    1    3   14 o  144.564   1.2575  163.992   2.8529  164.438   4.5523  163.704   3.6609  144.755   2.0040  144.435   1.6151 0.3203125 2.573826 
1 1 1    1    3   15 o  519.471   2.4205  2117.87   19.732  2112.19   27.845  2123.59   27.966  518.716   3.4206  520.114   3.4263 -1.398010 4.841477 
1 1 1    1    3   16 o  297.419   1.6346  694.177   7.6291  691.730   10.774  696.637   10.805  296.875   2.3125  297.927   2.3110 -1.051208 3.269321 
1 1 1    1    3   17 o  141.948   1.4773  158.124   3.2908  159.875   4.4163  155.937   4.9343  142.724   1.9718  140.950   2.2308 1.773758 2.977281 
1 1 1    1    3   18 o  174.545   1.5399  239.110   4.2180  239.292   5.1257  238.729   7.4240  174.601   1.8707  174.361   2.7132 0.2402496 3.295575 
1 1 1    1    3   19 o  224.074   1.4280  394.106   5.0215  394.495   7.1235  393.723   7.0797  224.144   2.0252  223.925   2.0147 0.2187347 2.856599 
1 1 1    1    3   20 o   94.553   1.4478   70.186   2.1483   71.050   3.0643   69.351   3.0128   95.108   2.0531   93.964   2.0431 1.143593 2.896473 
1 1 1    1    3   21 o  221.843   1.7745  386.553   6.1778  384.665   8.6991  388.474   8.7748  221.189   2.5061  222.279   2.5155 -1.090561 3.550858 
1 1 1    1    3   22 o   85.463   1.7252   57.382   2.3138   57.221   3.2793   57.542   3.2653   85.253   2.4537   85.494   2.4362 -0.2415466 3.457714 
1 1 1    1    3   23 o   81.626   3.1702   52.638   4.0532   52.898   4.5501   51.640   8.9198   81.756   3.5549   79.731   7.2066 2.025352 8.035700 
1 1 1    1    3   24 o  109.053   1.7357   93.500   2.9704   94.921   4.6769   92.538   3.8455  109.721   2.7162  108.416   2.2603 1.305130 3.533602 
1 1 1    1    3   25 o   77.049   1.7297   46.704   2.0915   48.998   3.2033   44.999   2.7613   78.748   2.5956   75.514   2.3329 3.234505 3.489934 
1 1 1    1    3   26 o   62.049   2.0589   30.391   2.0020   33.048   2.6543   26.885   3.0493   64.589   2.6241   58.063   3.3609 6.526142 4.263972 
1 1 1    1    3   27 o   36.121   3.7545   10.555   2.0972   13.329   2.9678   7.7888   2.9640   40.284   4.7880   30.080   6.4712 10.20418 8.049927 
1 1 1    1    3   28 o   62.088   2.9068   30.773   2.8244   27.503   3.4785   37.100   4.8385   58.325   3.8214   67.345   4.6060 -9.020100 5.984818 
1 1 1    1    3   29 o   42.268   2.7281   14.305   1.7999   15.495   2.5128   13.050   2.5794   43.640   3.7041   39.824   4.1900 3.815716 5.592535 
1 1 1    1    4    0 o  188.235   1.5918  278.089   4.7014  278.089   4.7014  278.089   4.7014  188.235   1.5918  188.235   1.5918 0.000000 0.000000 
1 1 1    1    4    1 o  620.876   2.4278  3025.20   23.655  3018.95   33.383  3031.51   33.523  620.184   3.4300  621.474   3.4373 -1.289307 4.855922 
1 1 1    1    4    2 o  352.819   1.8841  976.839   10.432  986.843   14.251  965.288   15.312  354.607   2.5608  350.708   2.7821 3.899628 3.781271 
1 1 1    1    4    3 o  903.949   3.4123  6413.57   48.406  6362.14   67.856  6466.86   69.072  900.179   4.8035  907.552   4.8498 -7.372498 6.825979 
1 1 1    1    4    4 o  296.695   1.3986  690.750   6.5120  689.095   9.1900  692.419   9.2288  296.332   1.9762  297.046   1.9798 -0.7139282 2.797298 
1 1 1    1    4    5 o  729.606   2.8970  4177.89   33.170  4207.64   48.901  4152.54   45.143  732.097   4.2564  727.314   3.9551 4.783325 5.810318 
1 1 1    1    4    6 o  655.872   2.5506  3376.03   26.253  3365.87   37.002  3386.32   37.253  654.817   3.6008  656.803   3.6143 -1.985657 5.101848 
1 1 1    1    4    7 f  297.449   1.4505  694.285   6.7706  698.123   9.3145  689.984   9.8588  298.260   1.9900  296.513   2.1187 1.746735 2.906743 
1 1 1    1    4    8 o  251.311   1.4850  495.617   5.8567  505.775   8.3714  485.880   8.1966  253.860   2.1013  248.817   2.0992 5.042923 2.970205 
1 1 1    1    4    9 o  180.029   1.2201  254.329   3.4471  256.395   4.5821  251.635   5.2320  180.753   1.6154  179.063   1.8619 1.690002 2.464979 
1 1 1    1    4   10 o   54.496   1.3831   23.321   1.1819   21.791   1.6604   24.892   1.6829   52.654   2.0131   56.286   1.9080 -3.632057 2.773606 
1 1 1    1    4   11 o   56.981   1.4096   25.479   1.2604   25.379   1.7774   25.580   1.7877   56.831   1.9960   57.057   1.9996 -0.2254105 2.825361 
1 1 1    1    4   12 o  204.104   1.5031  326.901   4.8146  327.214   6.1984  326.426   7.6445  204.196   1.9343  203.943   2.3886 0.2531128 3.073543 
1 1 1    1    4   13 o  294.973   1.5075  682.766   6.9781  680.222   9.8458  685.334   9.8915  294.412   2.1310  295.517   2.1329 -1.104156 3.015059 
1 1 1    1    4   14 o  250.605   1.3893  492.815   5.4640  491.641   7.7155  493.997   7.7390  250.298   1.9643  250.897   1.9655 -0.5988159 2.778785 
1 1 1    1    4   15 o  113.091   1.2540  100.361   2.2254   99.848   3.2850  100.796   3.0255  112.797   1.8558  113.333   1.7011 -0.5358353 2.517488 
1 1 1    1    4   16 o  240.701   1.3751  454.645   5.1943  457.999   7.3854  451.361   7.3070  241.576   1.9481  239.819   1.9415 1.757019 2.750402 
1 1 1    1    4   17 o  191.324   1.2729  287.254   3.8219  285.710   5.4039  288.798   5.4062  190.798   1.8048  191.827   1.7959 -1.028595 2.546047 
1 1 1    1    4   18 o  185.153   1.8110  269.093   5.2621  272.474   6.2760  261.092   9.6555  186.298   2.1467  182.295   3.3751 4.003311 3.999967 
1 1 1    1    4   19 o  171.525   1.4190  230.941   3.8196  226.307   5.6597  234.818   5.1762  169.755   2.1245  172.932   1.9073 -3.176941 2.855100 
1 1 1    1    4   20 f  208.536   1.4209  341.405   4.6500  343.089   6.6124  339.758   6.5405  208.994   2.0161  207.978   2.0039 1.015732 2.842632 
1 1 1    1    4   21 o   84.087   1.3706   55.515   1.8086   55.063   2.5741   55.955   2.5418   83.716   1.9593   84.393   1.9193 -0.6770706 2.742717 
1 1 1    1    4   22 o  118.013   1.7219  109.422   3.1889  111.763   4.5174  107.096   4.5022  119.194   2.4151  116.673   2.4590 2.520813 3.446610 
1 1 1    1    4   23 o   12.556   5.6308  -1.0084   2.2977   2.5930   3.1927  -4.8773   3.3092   20.207   7.5253   12.189   5.8668 8.017858 9.541995 
1 1 1    1    4   24 o   90.333   2.1022   64.221   2.9801   63.790   4.1983   64.660   4.2310   89.844   2.9818   90.455   2.9847 -0.6106796 4.218949 
1 1 1    1    4   25 o   48.820   2.7277   18.886   2.0815   19.990   2.9917   17.850   2.8978   49.996   3.8424   47.202   3.9481 2.793915 5.509282 
1 1 1    1    4   26 o   20.638   5.1915   3.5814   1.6796   3.1844   2.4061   3.9588   2.3458   19.956   6.6030   21.713   6.4296 -1.757175 9.216186 
1 1 1    1    4   27 o   34.209   2.9136   9.3656   1.5493   9.8631   2.1961   8.8728   2.1859   34.790   4.1012   32.900   4.3395 1.889488 5.970829 
1 1 1    1    4   28 o   68.522   2.0270   37.155   2.1773   38.610   3.1692   35.855   2.9963   69.542   2.9104   67.032   2.8549 2.510147 4.076905 
1 1 1    1    4   29 o   26.149   4.1114   5.6894   1.6315   6.4969   2.9874   5.3463   1.9477   26.813   7.0190   24.962   5.1432 1.850908 8.701701 
1 1 1    1    4   30 o   24.602   5.1659   5.2846   1.9309   4.3064   2.7311   6.2622   2.7303   21.754   7.0248   26.100   6.6485 -4.345592 9.672117 
1 1 1    1    4   31 o   12.441   5.0364   0.8056   1.5266  -0.6374   2.0907   2.4538   2.2344   11.685   5.2937   17.079   6.3074 -5.393467 8.234520 
1 1 1    1    5    0 o  650.868   3.5880  3324.89   36.645  3324.89   36.645  3324.89   36.645  650.868   3.5880  650.868   3.5880 0.000000 0.000000 
1 1 1    1    5    1 o  422.554   2.0574  1401.17   13.643  1410.55   19.410  1392.01   19.180  423.941   2.9175  421.147   2.9021 2.794373 4.115093 
1 1 1    1    5    2 o  807.482   3.5540  5117.88   45.035  5051.16   62.796  5188.55   64.623  802.069   4.9890  812.896   5.0658 -10.82654 7.109984 
1 1 1    1    5    3 o  968.091   4.2082  7357.27   63.933  7410.30   91.125  7305.86   89.721  971.339   5.9780  964.477   5.9278 6.861694 8.418759 
1 1 1    1    5    4 o  211.742   1.5220  351.819   5.0573  364.842   7.2843  339.701   7.0269  215.618   2.1528  208.056   2.1522 7.561569 3.044048 
1 1 1    1    5    5 o  703.019   3.1379  3879.22   34.619  3937.16   49.721  3824.71   48.230  708.136   4.4742  697.956   4.4034 10.17975 6.277577 
1 1 1    1    5    6 o  252.600   1.5660  500.707   6.2077  505.728   8.4660  494.867   9.1296  253.854   2.1251  251.110   2.3168 2.744476 3.143824 
1 1 1    1    5    7 o  219.962   1.3684  379.670   4.7234  367.656   6.3283  394.781   7.0973  216.446   1.8631  224.286   2.0164 -7.839661 2.745392 
1 1 1    1    5    8 o   60.488   1.4591   28.712   1.3850   29.049   2.0581   28.433   1.8725   60.799   2.1605   60.157   1.9862 0.6420135 2.934758 
1 1 1    1    5    9 o   58.494   1.3583   26.850   1.2468   25.859   1.7640   27.840   1.7625   57.367   1.9623   59.530   1.8890 -2.162498 2.723803 
1 1 1    1    5   10 o  109.832   1.3488   94.662   2.3248   93.133   3.4637   95.916   3.1361  108.935   2.0261  110.553   1.8077 -1.618034 2.715318 
1 1 1    1    5   11 o  196.361   1.3860  302.569   4.2708  305.815   5.6723  298.319   6.4895  197.406   1.8310  194.967   2.1210 2.439072 2.802025 
1 1 1    1    5   12 o  327.219   1.5693  840.214   8.0582  839.232   11.814  841.067   11.020  327.012   2.3021  327.373   2.1449 -0.3611755 3.146492 
1 1 1    1    5   13 o  230.816   1.2851  418.054   4.6549  428.571   6.6878  408.171   6.4831  233.696   1.8236  228.066   1.8114 5.629745 2.570339 
1 1 1    1    5   14 o  168.223   1.1926  222.060   3.1483  228.006   4.5130  216.423   4.3940  170.456   1.6871  166.070   1.6860 4.386124 2.385186 
1 1 1    1    5   15 o  269.943   1.4725  571.826   6.2379  571.417   8.8158  572.236   8.8276  269.833   2.0819  270.026   2.0832 -0.1933289 2.945171 
1 1 1    1    5   16 o  272.639   1.3810  583.308   5.9085  579.813   8.3353  586.839   8.3765  271.807   1.9541  273.449   1.9520 -1.641846 2.762052 
1 1 1    1    5   17 o   42.703   1.8042   14.338   1.2064   14.006   1.7211   14.659   1.6914   42.157   2.6144   43.139   2.5094 -0.9819832 3.623781 
1 1 1    1    5   18 o  108.387   1.1618   92.196   1.9762   90.421   2.7941   93.971   2.7953  107.329   1.6589  109.417   1.6280 -2.087234 2.324237 
1 1 1    1    5   19 o   83.385   1.2038   54.574   1.5752   55.036   2.2325   54.117   2.2230   83.725   1.6992   83.022   1.7062 0.7024765 2.407965 
1 1 1    1    5   20 o   80.545   1.5101   50.937   1.9088   50.091   2.7148   51.763   2.6843   79.817   2.1694   81.144   2.1098 -1.326584 3.026098 
1 1 1    1    5   21 f  110.469   1.3802   95.820   2.3928   94.449   3.3994   97.166   3.3685  109.636   1.9758  111.206   1.9302 -1.569366 2.762172 
1 1 1    1    5   22 o   66.723   1.5769   34.973   1.6511   35.626   2.3691   34.355   2.3023   67.266   2.2475   66.057   2.2241 1.209534 3.161954 
1 1 1    1    5   23 o   19.280   4.1646   3.0573   1.2232   3.2571   2.3184   2.9803   1.4399   20.292   6.4643   19.000   4.8218 1.292131 8.064563 
1 1 1    1    5   24 o   29.165   4.0950   6.8816   1.8226   8.5307   2.5633   5.1951   2.5922   32.265   5.2422   24.898   6.5481 7.367378 8.387978 
1 1 1    1    5   25 o   39.572   3.6918   12.552   2.2662   15.458   3.3605   10.129   3.0690   43.597   5.0023   34.946   5.7992 8.650883 7.658594 
1 1 1    1    5   26 o   40.081   3.5323   12.899   2.1991   12.531   3.2348   13.215   2.9986   38.905   5.4474   40.178   4.8541 -1.273685 7.296314 
1 1 1    1    5   27 o   16.749   6.0497   2.0264   2.0386   1.5266   2.9134   2.5059   2.8536   17.442   6.9939   18.988   7.1058 -1.546217 9.970366 
1 1 1    1    5   28 o   33.896   3.4135   9.3047   1.7910   7.3268   2.5218   11.318   2.5441   29.225   5.7035   37.033   4.4677 -7.808559 7.244988 
1 1 1    1    5   29 o   11.921   4.9023   0.4934   1.4743   0.6849   2.0547   0.2903   2.1165   13.910   5.7604   13.422   5.7183 0.4874268 8.116708 
1 1 1    1    5   30 o   16.194   5.3815   2.2000   1.5978   0.6689   2.1985   3.9139   2.3260   14.047   5.8984   20.790   6.4549 -6.742962 8.743957 
1 1 1    1    5   31 o   18.239   4.1724   2.9107   1.1683   1.7719   1.6504   4.0546   1.6540   14.853   5.4317   21.182   5.0478 -6.329488 7.415078 
1 1 1    1    5   32 o   14.329   5.6448   1.5210   1.8658   0.1038   2.5528   3.1462   2.7337   13.403   5.9782   18.188   6.9219 -4.785008 9.146105 
1 1 1    1    5   33 o  ?   ?   -5.6883   1.5344  -3.4556   2.1483  -8.0133   2.1923   8.9897   4.4147   6.9897   3.5616 2.000004 5.672234 
1 1 1    1    6    0 o   33.075   2.4084   8.7201   1.2345   8.7201   1.2345   8.7201   1.2345   33.075   2.4084   33.075   2.4084 0.000000 0.000000 
1 1 1    1    6    1 o  686.758   2.6668  3701.43   28.741  3691.70   40.531  3711.27   40.761  685.787   3.7661  687.602   3.7775 -1.814941 5.334149 
1 1 1    1    6    2 o  943.953   3.5642  6994.15   52.799  6945.93   74.101  7043.88   75.251  940.526   5.0205  947.128   5.0628 -6.602417 7.130043 
1 1 1    1    6    3 o  621.184   2.6145  3028.35   25.487  3088.64   36.772  2972.62   35.357  627.269   3.7355  615.381   3.6612 11.88879 5.230531 
1 1 1    1    6    4 o  309.735   1.5691  752.823   7.6270  764.425   10.924  741.788   10.654  312.100   2.2303  307.445   2.2081 4.655518 3.138522 
1 1 1    1    6    5 o  898.473   3.7798  6337.43   53.295  6256.93   77.335  6410.24   73.548  892.486   5.5216  903.412   5.1878 -10.92670 7.576372 
1 1 1    1    6    6 o   85.189   1.6897   56.950   2.2590   57.872   3.2033   56.038   3.1861   85.837   2.3803   84.465   2.4062 1.372856 3.384578 
1 1 1    1    6    7 o  307.182   1.6934  740.515   8.1634  734.453   11.476  746.724   11.615  305.899   2.3906  308.444   2.3995 -2.544556 3.387139 
1 1 1    1    6    8 o  282.408   1.6274  625.891   7.2125  639.235   10.356  613.320   10.051  285.381   2.3124  279.537   2.2912 5.843689 3.255237 
1 1 1    1    6    9 o  110.340   1.3707   95.540   2.3735   96.161   3.3687   94.929   3.3446  110.692   1.9392  109.980   1.9379 0.7116547 2.741531 
1 1 1    1    6   10 o  129.352   1.2585  131.296   2.5547  131.251   3.6029  131.342   3.6230  129.325   1.7753  129.369   1.7846 -0.4473877E-01 2.517186 
1 1 1    1    6   11 f  209.532   1.3505  344.513   4.4405  343.922   6.2559  345.113   6.3041  209.345   1.9042  209.707   1.9156 -0.3621979 2.701041 
1 1 1    1    6   12 o  186.254   1.3207  272.216   3.8602  277.399   5.4897  267.147   5.4292  188.014   1.8606  184.507   1.8751 3.507172 2.641532 
1 1 1    1    6   13 o  163.306   1.4118  209.271   3.6181  211.266   5.5780  207.821   4.7539  164.075   2.1663  162.736   1.8615 1.339874 2.856250 
1 1 1    1    6   14 f  291.002   1.5525  664.520   7.0896  658.245   9.9531  670.983   10.101  289.611   2.1900  292.400   2.2013 -2.788635 3.105087 
1 1 1    1    6   15 f  368.187   1.9074  1063.87   11.021  1061.14   17.027  1065.84   14.459  367.668   2.9510  368.504   2.5002 -0.8358459 3.867745 
1 1 1    1    6   16 o  268.304   1.3946  564.916   5.8720  570.127   8.3767  559.882   8.2338  269.522   1.9805  267.090   1.9644 2.431976 2.789495 
1 1 1    1    6   17 o  130.432   1.2211  133.508   2.4995  130.645   3.5432  136.344   3.5264  129.016   1.7500  131.801   1.7049 -2.784958 2.443228 
1 1 1    1    6   18 o   18.045   4.2420   2.6653   1.1809   3.6680   1.7353   1.8005   1.6116   21.162   5.2507   15.803   5.4049 5.358273 7.535395 
1 1 1    1    6   19 o  146.661   1.3306  168.845   3.0625  168.372   4.5915  169.223   4.1104  146.418   1.9983  146.801   1.7842 -0.3833923 2.678911 
1 1 1    1    6   20 o   38.992   1.9867   11.975   1.2116   10.326   1.7351   13.544   1.6927   36.093   3.0932   41.421   2.6174 -5.328148 4.051979 
1 1 1    1    6   21 o   73.423   1.3443   42.330   1.5490   39.044   2.1895   45.623   2.1916   70.459   1.9821   76.203   1.8327 -5.744194 2.699550 
1 1 1    1    6   22 o   53.884   1.8025   22.844   1.5220   21.869   1.9916   24.213   2.3598   52.662   2.4164   55.382   2.7235 -2.720848 3.640955 
1 1 1    1    6   23 o  113.694   1.6771  101.600   2.9923  106.338   4.9043   98.790   3.7767  116.158   2.6904  112.049   2.1478 4.108887 3.442605 
1 1 1    1    6   24 o   28.614   2.9094   6.5319   1.2883   8.1538   1.9304   5.2294   1.7299   31.809   3.9520   25.249   4.5324 6.559729 6.013413 
1 1 1    1    6   25 o   41.895   2.5166   13.911   1.6469   12.632   2.4506   14.964   2.2240   39.608   3.9973   43.307   3.2972 -3.698895 5.181650 
1 1 1    1    6   26 o   14.940   5.5944   1.4265   1.7693   2.4216   2.4793   0.3938   2.5256   18.371   6.6666   14.928   6.2982 3.442484 9.171221 
1 1 1    1    6   27 o   51.904   2.6704   21.444   2.1679   23.483   3.0493   19.361   3.0826   54.008   3.6187   48.854   4.0573 5.153519 5.436634 
1 1 1    1    6   28 o   27.695   4.5453   6.4108   1.9070   7.9438   2.6752   4.8268   2.7192   30.372   5.8245   23.393   6.9213 6.979101 9.045935 
1 1 1    1    6   29 o   18.356   5.6034   2.8967   1.7619   4.7504   2.5271   1.1435   2.4577   22.997   6.6358   15.571   6.3580 7.426270 9.190125 
1 1 1    1    6   30 o   23.768   5.6813   5.0918   2.0902   0.2521   3.0107   9.5953   2.9043   15.168   6.6399   32.743   5.8677 -17.57487 8.861050 
1 1 1    1    6   31 o   21.375   4.9587   4.1331   1.6311   2.9592   2.3060   5.3084   2.3073   18.022   6.4435   23.527   6.1733 -5.504425 8.923471 
1 1 1    1    6   32 o   12.745   4.9612   1.1525   1.4270   1.2522   2.0162   1.0524   2.0199   14.011   5.7442   13.667   5.6900 0.3438168 8.085328 
1 1 1    1    6   33 o   8.6679   4.0419  -0.9004   1.3477  -0.2721   1.8860  -1.5562   1.9267   11.178   5.0494   9.8340   4.6615 1.344428 6.872145 
1 1 1    1    6   34 o   16.372   5.8372   2.9031   1.8911   4.7521   2.6267   0.9132   2.7249   19.531   6.8876   13.565   6.1035 5.966355 9.202805 
1 1 1    1    7    0 o   6.8251   4.4693  -0.1785   1.1885  -0.1785   1.1885  -0.1785   1.1885   6.8251   4.4693   6.8251   4.4693 0.000000 0.000000 
1 1 1    1    7    1 o  369.582   1.6483  1071.85   9.5601  1071.72   13.512  1071.99   13.528  369.543   2.3300  369.589   2.3324 -0.4620361E-01 3.296797 
1 1 1    1    7    2 o  474.401   1.9709  1766.14   14.673  1773.41   20.830  1758.98   20.673  475.346   2.7924  473.409   2.7826 1.937073 3.942141 
1 1 1    1    7    3 o  303.247   1.4676  721.610   6.9842  730.664   9.9637  712.864   9.7928  305.132   2.0808  301.392   2.0705 3.739380 2.935380 
1 1 1    1    7    4 f  277.191   1.4004  602.932   6.0919  596.741   8.5533  609.306   8.6785  275.754   1.9765  278.642   1.9847 -2.887756 2.801026 
1 1 1    1    7    5 o  308.184   1.4804  745.313   7.1599  734.955   10.025  756.097   10.229  306.020   2.0875  310.390   2.1000 -4.369934 2.961073 
1 1 1    1    7    6 o  200.800   1.2444  316.403   3.9213  319.788   5.5777  313.095   5.5139  201.863   1.7607  199.740   1.7591 2.123505 2.488896 
1 1 1    1    7    7 o   67.056   1.4052   35.286   1.4787   36.972   2.0872   33.587   2.0953   68.609   1.9405   65.386   2.0445 3.222961 2.818827 
1 1 1    1    7    8 o  321.944   1.6296  813.394   8.2332  811.639   11.650  815.145   11.638  321.572   2.3085  322.266   2.3011 -0.6941528 3.259485 
1 1 1    1    7    9 o  304.822   1.7131  729.179   8.1947  744.864   11.812  714.626   11.378  308.060   2.4434  301.744   2.4028 6.316010 3.426887 
1 1 1    1    7   10 o  121.659   1.3448  116.145   2.5676  115.907   3.6601  116.375   3.6028  121.530   1.9191  121.776   1.8853 -0.2454529 2.690216 
1 1 1    1    7   11 o  375.492   1.9378  1106.46   11.419  1117.56   16.276  1095.69   16.023  377.347   2.7486  373.638   2.7327 3.709045 3.875881 
1 1 1    1    7   12 o  246.482   1.5684  476.741   6.0665  473.550   8.5429  479.987   8.6162  245.647   2.2161  247.311   2.2201 -1.663773 3.136832 
1 1 1    1    7   13 o  293.873   1.8627  677.716   8.5905  660.858   11.982  695.546   12.323  290.177   2.6312  297.695   2.6377 -7.518158 3.725706 
1 1 1    1    7   14 o   75.464   1.8333   44.691   2.1710   41.491   3.0679   47.900   3.0727   72.656   2.6954   78.081   2.5109 -5.425117 3.683735 
1 1 1    1    7   15 o   51.466   2.3400   20.832   1.8850   23.477   2.6878   18.272   2.6443   54.596   3.1505   48.112   3.5268 6.483639 4.729009 
1 1 1    1    7   16 o  157.232   1.4823  194.013   3.6575  196.434   5.1855  191.615   5.1597  158.198   2.0887  156.245   2.1043 1.952682 2.964954 
1 1 1    1    7   17 o  112.806   1.5423   99.875   2.7303  101.535   3.9946   98.421   3.7404  113.722   2.2383  111.968   2.1287 1.754402 3.088940 
1 1 1    1    7   18 f   67.973   1.7958   36.300   1.9139   35.433   2.6675   37.220   2.7475   67.111   2.5374   68.785   2.5497 -1.673515 3.597161 
1 1 1    1    7   19 o  187.328   1.4667  275.500   4.3118  281.266   6.0898  269.704   6.1058  189.228   2.0507  185.293   2.0998 3.935028 2.935065 
1 1 1    1    7   20 o   55.808   1.9249   24.497   1.6833   25.254   2.3426   23.690   2.4206   56.605   2.6444   54.803   2.8241 1.801952 3.868886 
1 1 1    1    7   21 o   53.549   1.7576   22.553   1.4750   23.244   2.0502   21.811   2.1237   54.308   2.4116   52.587   2.5813 1.721123 3.532610 
1 1 1    1    7   22 o  120.913   1.6242  114.876   3.0818  114.082   4.3131  115.703   4.4051  120.412   2.2825  121.260   2.3149 -0.8477173 3.250927 
1 1 1    1    7   23 o   62.104   1.5635   30.331   1.5225   31.708   2.2118   29.090   2.0990   63.428   2.2255   60.753   2.2052 2.675655 3.133070 
1 1 1    1    7   24 o   22.433   3.2016   4.0608   1.0952   4.1992   1.5181   3.9107   1.5814   22.569   4.4444   21.708   4.7724 0.8610687 6.521344 
1 1 1    1    7   25 o  100.899   1.5851   80.107   2.5098   81.918   3.5758   78.348   3.5237  101.892   2.2363   99.643   2.2534 2.248741 3.174706 
1 1 1    1    7   26 o   18.972   4.2257   3.0047   1.2258   2.9509   1.7631   3.0550   1.7055   18.806   5.5755   19.074   5.4349 -0.2688122 7.786193 
1 1 1    1    7   27 o   65.450   2.7633   34.121   2.8319   36.287   4.0497   32.048   3.9614   67.027   3.8664   62.898   4.0347 4.129601 5.588180 
1 1 1    1    7   28 o   24.586   5.5878   5.2330   2.1069   7.4080   2.8728   2.7018   3.0991   28.978   6.4801   19.413   7.3742 9.564550 9.816861 
1 1 1    1    7   29 o   10.665   4.9194  -1.2395   1.9156  -3.1409   2.7675   0.5093   2.6541   11.477   5.4817   14.993   6.3960 -3.515106 8.423586 
1 1 1    1    7   30 o   17.680   6.1754   2.7012   2.1082  -1.5102   3.0213   6.6975   2.9432   13.249   6.1347   26.387   6.9952 -13.13857 9.304154 
1 1 1    1    7   31 f   22.959   5.8102   5.0032   2.0949   2.8404   2.9770   7.1247   2.9484   18.096   7.1298   26.538   6.9855 -8.442081 9.981538 
1 1 1    1    7   32 o   16.567   5.6429   2.5773   1.7563   3.5424   2.4946   1.6286   2.4731   18.744   6.7018   15.259   6.3194 3.485370 9.211344 
1 1 1    1    7   33 o   16.472   5.9739   2.6556   1.9905   0.7249   2.8241   4.5615   2.8060   14.184   6.3097   20.112   7.1163 -5.927307 9.510726 
1 1 1    1    7   34 o   7.6567   3.7085  -1.6804   1.3741  -1.1162   1.9202  -2.2726   1.9673   9.8400   4.6612   8.9637   4.3635 0.8763008 6.384916 
1 1 1    1    8    0 o  110.442   2.7206   95.895   4.7088   95.895   4.7088   95.895   4.7088  110.442   2.7206  110.442   2.7206 0.000000 0.000000 
1 1 1    1    8    1 o  267.274   1.9617  560.605   8.2280  552.596   11.526  568.928   11.750  265.338   2.7680  269.230   2.7810 -3.891998 3.923714 
1 1 1    1    8    2 o  503.622   2.6252  1990.72   20.748  1969.02   29.073  2013.23   29.619  500.801   3.6993  506.389   3.7271 -5.588654 5.251301 
1 1 1    1    8    3 o  605.745   2.7828  2880.08   26.453  2880.48   37.424  2879.69   37.397  605.682   3.9373  605.600   3.9350 0.8251953E-01 5.566547 
1 1 1    1    8    4 o  389.472   1.9874  1190.46   12.147  1190.77   17.175  1190.15   17.182  389.484   2.8099  389.383   2.8118 0.1015320 3.975163 
1 1 1    1    8    5 o  210.755   1.3694  348.559   4.5292  341.941   6.3187  355.552   6.4953  208.734   1.9290  212.848   1.9446 -4.113541 2.739054 
1 1 1    1    8    6 o  225.672   1.3114  399.645   4.6443  396.662   6.5404  402.679   6.5960  224.817   1.8538  226.515   1.8556 -1.698578 2.622929 
1 1 1    1    8    7 o  260.488   1.4891  532.485   6.0872  525.158   7.9713  542.735   9.4280  258.678   1.9637  262.961   2.2847 -4.283112 3.012569 
1 1 1    1    8    8 o   57.061   1.7025   25.574   1.5228   24.526   2.1510   26.628   2.1563   55.845   2.4604   58.198   2.3659 -2.352642 3.413363 
1 1 1    1    8    9 o  189.707   1.3686  282.410   4.0745  285.312   6.2400  280.253   5.3798  190.670   2.0854  188.976   1.8141 1.693848 2.764023 
1 1 1    1    8   10 o  258.978   1.4054  526.300   5.7116  529.841   8.1093  522.814   8.0459  259.839   1.9887  258.110   1.9864 1.728729 2.810823 
1 1 1    1    8   11 o  108.398   1.3592   92.204   2.3121   89.999   3.2714   94.404   3.2684  107.091   1.9466  109.681   1.8989 -2.589622 2.719326 
1 1 1    1    8   12 o  439.743   1.8928  1517.49   13.062  1513.75   18.435  1521.27   18.509  439.174   2.6749  440.264   2.6790 -1.089996 3.785733 
1 1 1    1    8   13 o  120.891   1.4014  114.683   2.6587  115.830   3.9085  113.694   3.6272  121.489   2.0501  120.365   1.9203 1.124138 2.808953 
1 1 1    1    8   14 o   18.357   5.2755   2.7055   1.6002   4.7405   2.2895   0.7618   2.2375   24.091   6.0618   15.129   6.1072 8.962275 8.604787 
1 1 1    1    8   15 o  211.230   1.3488  350.134   4.4709  343.480   6.2703  357.015   6.3767  209.201   1.9099  213.283   1.9052 -4.082123 2.697693 
1 1 1    1    8   16 o   66.184   1.8313   34.407   1.9002   36.567   2.7111   32.321   2.6641   68.199   2.5376   64.106   2.6539 4.093124 3.671821 
1 1 1    1    8   17 o   87.665   1.5332   60.322   2.1093   59.408   2.9952   61.221   2.9709   86.955   2.1967   88.302   2.1440 -1.346596 3.069516 
1 1 1    1    8   18 o   74.645   1.6550   43.746   1.9386   43.367   2.7645   44.113   2.7194   74.259   2.3753   74.900   2.3163 -0.6411743 3.317736 
1 1 1    1    8   19 o  117.651   1.4854  108.678   2.7425  108.415   3.9168  108.930   3.8412  117.470   2.1247  117.752   2.0787 -0.2817917 2.972440 
1 1 1    1    8   20 o   30.833   3.3723   7.5786   1.6051   7.6901   2.3568   7.4821   2.1921   30.772   5.0559   30.401   4.7501 0.3709202 6.937278 
1 1 1    1    8   21 o   41.878   2.2683   13.834   1.4851   13.382   2.1177   14.270   2.0833   41.062   3.3145   42.433   3.1509 -1.371410 4.573249 
1 1 1    1    8   22 o   74.273   2.0044   43.416   2.3342   46.207   3.5544   41.300   3.0951   76.490   2.9668   72.345   2.7311 4.144768 4.032450 
1 1 1    1    8   23 o  112.780   1.4459   99.950   2.5590   98.540   3.6588  101.300   3.5803  111.894   2.0837  113.462   2.0108 -1.568085 2.895667 
1 1 1    1    8   24 f   53.288   1.8274   22.376   1.5259   20.566   2.1192   24.325   2.1989   50.961   2.6591   55.456   2.5334 -4.495644 3.672671 
1 1 1    1    8   25 o   26.100   2.7981   5.4558   1.1282   4.7036   1.5590   6.2827   1.6346   23.870   4.3210   27.798   3.8504 -3.928156 5.787581 
1 1 1    1    8   26 o   65.968   1.5803   34.277   1.6360   31.760   2.2553   37.072   2.3768   63.331   2.2729   68.445   2.2157 -5.113384 3.174212 
1 1 1    1    8   27 o   54.996   1.9657   23.932   1.6938   25.395   2.4019   22.484   2.3888   56.442   2.7198   53.049   2.8802 3.392666 3.961392 
1 1 1    1    8   28 o   17.720   4.1891   2.6578   1.1464   0.9111   1.6427   4.3162   1.6007   13.307   5.2794   22.531   4.6801 -9.224683 7.055142 
1 1 1    1    8   29 o   22.050   5.9859   4.3544   2.1240   2.4117   3.0514   6.1805   2.9584   18.490   7.2384   25.782   7.0913 -7.291403 10.13319 
1 1 1    1    8   30 o   31.697   5.2975   8.9453   2.5422   9.0973   3.5778   8.7904   3.6128   30.160   7.5715   29.498   7.7173 0.6623135 10.81134 
1 1 1    1    8   31 f   16.488   6.3094   2.3202   2.2794   0.7150   3.1555   4.0719   3.2963   15.280   6.7395   20.057   7.6083 -4.776392 10.16404 
1 1 1    1    8   32 o   9.4583   4.5921  -2.7953   2.1402  -4.7773   2.9430  -0.5704   3.1181   10.270   5.0674   13.601   6.2746 -3.330894 8.065351 
1 1 1    1    8   33 o   9.9635   4.6630  -1.0181   1.8207   3.1703   2.5916  -5.0999   2.5584   17.316   6.7011   9.0093   4.4923 8.307022 8.067616 
1 1 1    1    8   34 o   10.424   4.8635  -0.5451   1.9554  -1.3766   2.8331   0.2114   2.7022   11.366   5.4597   12.489   5.7896 -1.123055 7.957892 
1 1 1    1    9    0 o  216.204   1.8400  366.888   6.2419  366.888   6.2419  366.888   6.2419  216.204   1.8400  216.204   1.8400 0.000000 0.000000 
1 1 1    1    9    1 o  347.370   1.6119  946.935   8.7869  939.086   12.347  954.990   12.508  345.904   2.2745  348.820   2.2850 -2.916260 3.224039 
1 1 1    1    9    2 f  338.536   1.5942  899.388   8.4693  908.920   12.083  890.183   11.874  340.302   2.2626  336.777   2.2467 3.525330 3.188631 
1 1 1    1    9    3 o  232.731   1.3419  425.038   4.9009  430.950   6.9804  419.291   6.8825  234.332   1.8982  231.140   1.8974 3.191559 2.683907 
1 1 1    1    9    4 o  235.778   1.3510  436.242   4.9990  435.728   7.0646  436.758   7.0746  235.626   1.9106  235.904   1.9110 -0.2783203 2.702234 
1 1 1    1    9    5 o  212.593   1.3126  354.665   4.3790  349.341   6.1461  360.155   6.2407  210.981   1.8563  214.221   1.8564 -3.240463 2.625270 
1 1 1    1    9    6 o  273.716   1.5375  587.942   6.6041  585.292   9.2844  590.654   9.3958  273.081   2.1665  274.328   2.1825 -1.247467 3.075225 
1 1 1    1    9    7 o  215.723   1.5448  365.191   5.2298  371.627   7.4500  358.938   7.3433  217.602   2.1817  213.855   2.1881 3.747253 3.089876 
1 1 1    1    9    8 o   32.995   3.1743   8.6250   1.6234   8.8431   2.2643   8.3942   2.3287   33.262   4.4493   32.353   4.7261 0.9095650 6.490945 
1 1 1    1    9    9 o  443.785   2.4222  1545.66   16.869  1555.52   26.762  1539.16   21.729  445.127   3.8312  442.819   3.1268 2.307709 4.945189 
1 1 1    1    9   10 o  224.164   1.8383  394.328   6.4669  396.215   8.7600  392.068   9.5868  224.690   2.4844  223.506   2.7332 1.183746 3.693604 
1 1 1    1    9   11 o  150.337   1.5677  177.354   3.6987  173.090   5.2140  181.673   5.2476  148.512   2.2372  152.150   2.1977 -3.638138 3.136090 
1 1 1    1    9   12 o  305.746   1.6574  733.572   7.9522  743.854   11.383  723.770   11.114  307.865   2.3561  303.681   2.3321 4.183929 3.315101 
1 1 1    1    9   13 o  404.111   1.9324  1281.61   12.255  1282.04   17.379  1281.18   17.284  404.143   2.7401  404.008   2.7261 0.1347961 3.865219 
1 1 1    1    9   14 o  128.436   1.7926  129.457   3.6131  137.894   6.0536  124.788   4.5031  132.537   2.9105  126.092   2.2757 6.444504 3.694577 
1 1 1    1    9   15 o  206.790   1.4780  335.590   4.7964  330.410   6.7868  340.758   6.7794  205.171   2.1079  208.360   2.0733 -3.188934 2.956665 
1 1 1    1    9   16 o  156.416   1.4700  192.019   3.6084  197.681   5.2081  186.793   5.0041  158.685   2.0914  154.253   2.0672 4.431122 2.940624 
1 1 1    1    9   17 o  194.231   1.3721  296.116   4.1821  299.181   5.9580  293.139   5.8718  195.200   1.9450  193.219   1.9365 1.980728 2.744597 
1 1 1    1    9   18 o  221.939   1.3991  386.685   4.8729  393.064   6.9483  380.512   6.8357  223.706   1.9792  220.105   1.9790 3.601074 2.798880 
1 1 1    1    9   19 o  113.701   1.4415  101.507   2.5720  101.800   3.6312  101.212   3.6436  113.828   2.0328  113.498   2.0457 0.3297729 2.883929 
1 1 1    1    9   20 o   43.690   2.4347   15.060   1.6627   15.554   2.3298   14.548   2.3736   44.293   3.3773   42.802   3.5661 1.490898 4.911541 
1 1 1    1    9   21 o   34.489   2.9630   9.4435   1.5881   10.308   2.2919   8.6444   2.2027   35.856   4.1496   32.746   4.3975 3.109337 6.046203 
1 1 1    1    9   22 o   64.272   2.3173   32.563   2.3335   36.431   3.5173   29.522   3.1186   67.829   3.3144   61.051   3.2670 6.777851 4.653884 
1 1 1    1    9   23 o   81.777   1.7214   52.595   2.2091   51.508   3.2143   53.568   3.0412   80.778   2.5388   82.414   2.3539 -1.635155 3.462134 
1 1 1    1    9   24 o   12.937   5.0083   0.8914   1.4480   4.2418   2.1203  -2.0370   1.9822   22.445   5.9312   10.243   4.8167 12.20170 7.640663 
1 1 1    1    9   25 o   34.276   2.6074   9.3546   1.3920   7.4199   1.9616   11.317   1.9757   30.110   4.2711   37.545   3.3896 -7.435225 5.452664 
1 1 1    1    9   26 o   52.979   1.9966   22.199   1.6570   23.217   2.3586   21.207   2.3285   53.979   2.7938   51.556   2.8895 2.423107 4.019290 
1 1 1    1    9   27 o   7.8973   3.6679  -0.9134   1.0926  -0.7339   1.5281  -1.1011   1.5629   10.017   4.5330   9.6468   4.4475 0.3701677 6.350428 
1 1 1    1    9   28 o   46.355   2.3486   17.130   1.7029   15.811   2.3754   18.524   2.4425   44.125   3.4580   47.861   3.2716 -3.736477 4.760410 
1 1 1    1    9   29 o   24.897   3.6956   5.1699   1.4002   4.6990   1.9668   5.6539   1.9938   22.963   5.5252   25.402   5.1773 -2.439062 7.571806 
1 1 1    1    9   30 o   15.659   6.1979   1.7489   2.2590   3.6702   3.2529  -0.0408   3.1395   19.882   7.5544   14.729   6.5954 5.152829 10.02833 
1 1 1    1    9   31 o   24.580   5.8870   5.8525   2.2409   3.0802   3.1470   8.7038   3.1916   18.251   7.2856   28.945   7.0847 -10.69406 10.16231 
1 1 1    1    9   32 o   15.538   6.0583   2.0894   2.1305   3.5060   3.0440   0.7291   2.9828   18.466   7.2294   14.618   6.4945 3.848606 9.718166 
1 1 1    1    9   33 o   16.547   6.0889   2.9037   2.0790   3.2833   2.9312   2.5194   2.9493   17.119   6.9609   16.027   6.7860 1.091455 9.721355 
1 1 1    1    9   34 o   12.808   5.4697   1.3221   1.9445   1.5530   2.7468   1.0901   2.7532   13.805   6.1762   13.301   6.0450 0.5040474 8.642178 
1 1 1    1   10    0 o  131.347   2.1418  135.495   4.4120  135.495   4.4120  135.495   4.4120  131.347   2.1418  131.347   2.1418 0.000000 0.000000 
1 1 1    1   10    1 o  284.015   1.4703  633.016   6.5534  626.156   9.2026  640.075   9.3346  282.454   2.0761  285.576   2.0829 -3.121826 2.940873 
1 1 1    1   10    2 o  267.081   1.4347  559.777   6.0132  548.164   8.3919  572.033   8.6206  264.280   2.0234  269.972   2.0348 -5.692139 2.869579 
1 1 1    1   10    3 o  109.731   1.3495   94.489   2.3238   99.235   3.3242   89.952   3.2498  112.448   1.8838  107.058   1.9343 5.389305 2.700041 
1 1 1    1   10    4 o  146.455   1.4157  168.319   3.2538  168.291   5.0110  168.339   4.2785  146.431   2.1807  146.457   1.8616 -0.2627563E-01 2.867171 
1 1 1    1   10    5 o  309.961   1.5421  753.956   7.5011  747.837   10.545  760.224   10.673  308.682   2.1768  311.228   2.1852 -2.545807 3.084417 
1 1 1    1   10    6 o   38.772   2.6133   11.853   1.5808   9.4450   2.2342   14.267   2.2370   34.423   4.2244   42.495   3.3823 -8.072697 5.411610 
1 1 1    1   10    7 o  128.218   1.7288  129.011   3.4786  130.483   5.5223  128.042   4.4790  128.935   2.7292  127.730   2.2345 1.205162 3.527272 
1 1 1    1   10    8 o  152.879   1.4429  183.403   3.4617  185.166   5.3350  182.121   4.5495  153.605   2.2132  152.340   1.9030 1.264832 2.918866 
1 1 1    1   10    9 o  187.036   1.5674  274.512   4.6005  272.630   6.4744  276.431   6.5381  186.386   2.2135  187.681   2.2199 -1.294678 3.134878 
1 1 1    1   10   10 o  123.164   1.4386  119.035   2.7805  121.955   3.9413  116.142   3.9233  124.662   2.0147  121.654   2.0550 3.007431 2.877850 
1 1 1    1   10   11 o  319.581   1.5917  801.455   7.9828  804.950   11.326  798.005   11.253  320.262   2.2535  318.878   2.2488 1.384460 3.183608 
1 1 1    1   10   12 o  263.203   1.5211  543.632   6.2829  537.698   8.5800  550.492   9.2259  261.751   2.0888  264.843   2.2198 -3.092377 3.048025 
1 1 1    1   10   13 o  339.307   1.6484  903.486   8.7775  901.564   12.392  905.422   12.435  338.922   2.3299  339.647   2.3329 -0.7242737 3.297086 
1 1 1    1   10   14 o   60.305   2.1986   28.583   2.0772   26.426   2.9127   30.815   2.9633   57.924   3.2169   62.575   3.0266 -4.651726 4.416853 
1 1 1    1   10   15 o  325.227   1.6225  830.159   8.2807  823.776   11.646  836.687   11.776  323.932   2.2910  326.460   2.2987 -2.527985 3.245364 
1 1 1    1   10   16 o   93.911   1.7468   69.233   2.5744   71.446   3.6008   66.919   3.6821   95.350   2.4083   92.270   2.5453 3.080818 3.504093 
1 1 1    1   10   17 o   90.187   1.7916   63.868   2.5357   63.867   3.5307   63.868   3.6441   90.122   2.4989   90.116   2.5794 0.5653381E-02 3.591349 
1 1 1    1   10   18 f  172.456   1.5639  233.530   4.2323  234.837   6.1318  232.340   5.8491  172.872   2.2603  171.961   2.1675 0.9115906 3.131553 
1 1 1    1   10   19 o   29.323   4.6227   6.9608   2.0569   9.9246   2.7779   3.3638   3.0602   35.021   5.2132   21.509   7.4445 13.51291 9.088294 
1 1 1    1   10   20 o   33.564   3.8778   9.0164   2.0050   8.8184   2.8674   9.2058   2.8047   32.811   5.7798   33.600   5.5101 -0.7884445 7.985450 
1 1 1    1   10   21 o   54.619   2.5960   23.550   2.2188   24.719   3.2026   22.471   3.0768   55.797   3.6780   53.182   3.7099 2.615273 5.224083 
1 1 1    1   10   22 o  118.808   1.8898  111.027   3.5234  111.777   4.8911  110.217   5.0798  119.075   2.6175  118.215   2.7382 0.8600082 3.787997 
1 1 1    1   10   23 f   26.441   4.2356   5.7052   1.6982   5.9750   2.4005   5.4349   2.4028   26.695   5.8886   25.412   6.1023 1.282419 8.480132 
1 1 1    1   10   24 o   51.888   2.2341   21.287   1.8149   22.014   2.5838   20.579   2.5499   52.576   3.1460   50.810   3.2144 1.766037 4.497736 
1 1 1    1   10   25 o   22.187   4.7913   4.1346   1.6193   3.3230   2.3712   4.8439   2.2168   20.133   6.5491   23.788   5.9530 -3.654819 8.850381 
1 1 1    1   10   26 o   81.498   1.8469   52.433   2.3621   49.417   3.3519   55.409   3.3293   78.798   2.7147   83.515   2.5432 -4.717407 3.719870 
1 1 1    1   10   27 f   27.842   3.5078   6.3321   1.4987   8.1616   2.1594   4.6317   2.0817   31.293   4.5287   23.058   5.7681 8.235226 7.333474 
1 1 1    1   10   28 o   27.781   3.4964   6.3411   1.4907   5.5699   2.1465   7.0595   2.0717   25.193   5.5768   28.830   4.7440 -3.636105 7.321577 
1 1 1    1   10   29 o   24.288   3.3849   4.9035   1.2552   6.2878   1.8015   3.5976   1.7498   27.090   4.3875   19.991   5.4355 7.098959 6.985326 
1 1 1    1   10   30 o   15.975   5.2519   2.2767   1.5230   3.6827   2.1156   0.7641   2.1943   19.610   6.1661   13.752   5.8395 5.857717 8.492382 
1 1 1    1   10   31 o   9.4132   4.1527  -0.1013   1.1986  -0.3257   1.6091   0.1785   1.7967   10.423   4.6901   11.710   5.1277 -1.286553 6.949091 
1 1 1    1   10   32 o   13.069   5.7157   0.5838   2.2263   3.6357   3.1281  -2.5493   3.1694   18.469   7.2986   11.960   5.7527 6.508131 9.293166 
1 1 1    1   10   33 f   11.260   5.2135  -0.3712   2.1817  -1.6194   3.0889   0.8715   3.0820   11.836   5.6893   13.866   6.3378 -2.029959 8.516809 
1 1 1    1   11    0 o  174.489   1.8776  239.005   5.1399  239.005   5.1399  239.005   5.1399  174.489   1.8776  174.489   1.8776 0.000000 0.000000 
1 1 1    1   11    1 o  118.694   1.3659  110.556   2.5443  111.741   3.6074  109.382   3.5890  119.323   1.9265  118.057   1.9372 1.266174 2.732078 
1 1 1    1   11    2 o  150.813   1.3311  178.482   3.1504  180.628   4.4744  176.372   4.4365  151.710   1.8794  149.911   1.8858 1.798096 2.662378 
1 1 1    1   11    3 o  161.369   1.3345  204.342   3.3796  205.751   4.7849  202.938   4.7739  161.917   1.8831  160.807   1.8917 1.110947 2.669237 
1 1 1    1   11    4 o  195.505   1.3656  299.939   4.1898  300.501   5.9377  299.382   5.9129  195.680   1.9336  195.315   1.9291 0.3643951 2.731356 
1 1 1    1   11    5 o  205.215   1.3661  330.470   4.3994  334.311   6.2568  326.713   6.1871  206.397   1.9317  204.038   1.9323 2.358917 2.732260 
1 1 1    1   11    6 f  221.245   1.4102  384.112   4.8964  377.153   6.8633  391.324   6.9874  219.223   1.9950  223.304   1.9939 -4.080643 2.820587 
1 1 1    1   11    7 o  229.351   1.6583  412.781   5.9684  421.375   10.403  408.564   7.2870  231.704   2.8610  228.171   2.0351 3.533173 3.510972 
1 1 1    1   11    8 o  345.146   1.6679  934.807   9.0340  937.940   12.812  931.709   12.740  345.708   2.3616  344.558   2.3562 1.149994 3.335955 
1 1 1    1   11    9 o  142.436   1.8076  159.207   4.0404  161.374   5.2446  156.043   6.3372  143.397   2.3306  141.002   2.8640 2.395004 3.692403 
1 1 1    1   11   10 o  164.743   1.5202  212.976   3.9302  211.662   5.5103  214.336   5.6072  164.228   2.1381  165.262   2.1621 -1.033768 3.040683 
1 1 1    1   11   11 f  158.101   1.6283  196.154   4.0399  197.121   5.7580  195.218   5.6696  158.480   2.3152  157.714   2.2908 0.7663269 3.256948 
1 1 1    1   11   12 o  211.434   1.7211  350.827   5.7105  347.775   7.7668  354.419   8.4252  210.499   2.3512  212.495   2.5265 -1.996460 3.451273 
1 1 1    1   11   13 o  273.575   1.8376  587.384   7.8894  582.393   10.668  593.409   11.721  272.386   2.4956  274.940   2.7166 -2.554016 3.688924 
1 1 1    1   11   14 o   69.979   2.2354   38.481   2.4517   38.457   3.4874   38.504   3.4474   69.904   3.1874   69.949   3.1486 -0.4502106E-01 4.480296 
1 1 1    1   11   15 o  217.602   1.5537  371.659   5.3056  372.075   7.5811  371.260   7.4279  217.687   2.2192  217.452   2.1767 0.2357483 3.108487 
1 1 1    1   11   16 o   64.895   2.2826   33.120   2.3210   34.375   3.3529   31.966   3.2161   66.038   3.2452   63.678   3.2289 2.360004 4.577889 
1 1 1    1   11   17 o   82.612   1.8679   53.600   2.4216   49.478   3.5278   57.273   3.3301   79.273   2.8404   85.329   2.4895 -6.055389 3.776974 
1 1 1    1   11   18 o   62.671   2.1516   30.902   2.1129   27.972   2.9668   33.917   3.0099   59.522   3.1878   65.588   2.9317 -6.066021 4.330927 
1 1 1    1   11   19 o   78.901   1.8597   48.919   2.3027   49.966   3.2634   47.880   3.2495   79.643   2.6146   77.955   2.6602 1.687775 3.729981 
1 1 1    1   11   20 o   44.873   2.8279   15.927   1.9813   18.508   2.8281   13.440   2.7765   48.246   3.7651   40.955   4.3884 7.290459 5.782187 
1 1 1    1   11   21 o   77.481   1.9086   47.212   2.3206   45.916   3.2786   48.514   3.2852   76.269   2.7437   78.411   2.6737 -2.142723 3.831022 
1 1 1    1   11   22 o   46.618   2.8349   17.221   2.0641   17.627   2.7852   16.725   3.0744   46.984   3.8102   45.638   4.3451 1.346004 5.779052 
1 1 1    1   11   23 o   32.010   3.7764   8.2635   1.8605   5.3562   2.5660   11.486   2.7016   25.131   6.4685   37.575   4.6829 -12.44405 7.985717 
1 1 1    1   11   24 o   30.283   3.5706   7.4109   1.6643   7.4707   2.4140   7.3567   2.2976   29.901   5.3404   29.740   5.1070 0.1616020 7.389310 
1 1 1    1   11   25 o   46.121   2.6726   16.937   1.9261   14.583   2.6884   19.419   2.7609   42.362   4.0950   49.112   3.6074 -6.750320 5.457269 
1 1 1    1   11   26 o   31.365   3.7703   8.0349   1.8186   8.3682   2.5719   7.7017   2.5720   31.404   5.4142   29.994   5.6719 1.409533 7.841173 
1 1 1    1   11   27 o   43.493   2.4762   15.102   1.6831   13.874   2.3807   16.328   2.3798   41.239   3.7186   44.896   3.4031 -3.657612 5.040746 
1 1 1    1   11   28 o   30.709   3.5016   7.7560   1.6574   7.3873   2.3307   8.1331   2.3573   29.146   5.2905   30.733   5.0639 -1.586586 7.323406 
1 1 1    1   11   29 o   11.023   4.5734   0.4390   1.2985   4.2199   1.8785  -3.0207   1.7969   21.455   5.5408   8.4073   4.1096 13.04774 6.898464 
1 1 1    1   11   30 o   9.2269   4.1518  -0.3729   1.2609   2.1220   1.8202  -2.6747   1.7483   15.649   5.7071   8.4127   4.0993 7.236081 7.026805 
1 1 1    1   11   31 f   9.5759   4.0312   0.2836   1.0310  -0.1566   1.7003   0.5396   1.2966   10.897   4.8683   10.976   4.5634 -0.7952309E-01 6.672721 
1 1 1    1   11   32 o   10.035   4.4034   0.0815   1.3313   0.3299   1.8618  -0.1785   1.9045   11.823   5.1973   11.212   5.0685 0.6112413 7.259536 
1 1 1    1   11   33 o   14.043   6.2153   1.6266   2.7063   3.5634   3.9275  -0.1244   3.7343   16.449   7.3703   13.401   6.3913 3.048217 9.755532 
1 1 1    1   12    0 o   43.693   5.3715   15.655   3.5341   15.655   3.5341   15.655   3.5341   43.693   5.3715   43.693   5.3715 -0.000000 0.000000 
1 1 1    1   12    1 o   77.783   2.4163   47.531   2.9459   45.778   4.1664   49.283   4.1659   76.282   3.4896   79.161   3.3610 -2.879242 4.845003 
1 1 1    1   12    2 o  303.645   1.8191  723.550   8.6680  706.162   12.075  742.037   12.450  299.953   2.5652  307.477   2.5803 -7.524292 3.638446 
1 1 1    1   12    3 o   88.980   1.9190   62.134   2.6796   61.527   3.8060   62.731   3.7733   88.495   2.7439   89.360   2.6938 -0.8644638 3.845192 
1 1 1    1   12    4 o   61.606   2.4536   29.833   2.3673   30.759   3.3784   28.940   3.3182   62.501   3.4579   60.617   3.5032 1.884506 4.922299 
1 1 1    1   12    5 o  121.115   1.6005  115.109   3.0420  109.246   4.2849  121.067   4.3194  117.984   2.3143  124.204   2.2161 -6.219986 3.204172 
1 1 1    1   12    6 o  287.703   1.5529  649.530   7.0114  653.424   9.9579  645.701   9.8737  288.552   2.1991  286.842   2.1935 1.710175 3.105993 
1 1 1    1   12    7 o   16.935   6.2124   1.7853   2.1615   3.1266   3.0856   0.4926   3.0290   21.285   7.4683   16.815   6.9814 4.470518 10.22324 
1 1 1    1   12    8 o   56.696   2.4269   25.273   2.1543   27.731   3.0558   22.846   3.0374   59.346   3.2941   53.826   3.6169 5.520672 4.892128 
1 1 1    1   12    9 o  167.650   1.6923  220.562   4.4524  219.034   5.4861  223.509   7.6206  167.063   2.0926  168.749   2.8777 -1.685440 3.558056 
1 1 1    1   12   10 o  170.936   1.4488  229.290   3.8865  227.422   5.4958  231.158   5.4967  170.230   2.0573  171.622   2.0409 -1.392990 2.897876 
1 1 1    1   12   11 o  156.834   1.4800  193.022   3.6427  200.315   5.1978  185.984   5.1064  159.761   2.0732  153.939   2.1138 5.821747 2.960791 
1 1 1    1   12   12 o   90.499   1.8425   64.277   2.6168   64.140   3.6947   64.415   3.7067   90.355   2.6084   90.549   2.6113 -0.1939545 3.690852 
1 1 1    1   12   13 o  247.813   1.5158  481.960   5.8947  483.104   8.3553  480.825   8.3175  248.082   2.1461  247.497   2.1415 0.5856323 3.031825 
1 1 1    1   12   14 o  174.772   1.4803  239.739   4.0601  244.866   5.7850  234.762   5.6997  176.607   2.0873  172.924   2.1003 3.682617 2.961144 
1 1 1    1   12   15 o   56.648   2.4597   25.256   2.1814   24.973   3.0983   25.534   3.0719   56.240   3.5283   56.878   3.4580 -0.6379128 4.940279 
1 1 1    1   12   16 o   71.357   2.0925   40.032   2.3406   36.555   3.2959   43.569   3.3247   68.103   3.0919   74.386   2.8534 -6.282158 4.207336 
1 1 1    1   12   17 o   59.755   2.3613   28.109   2.2099   27.513   3.1573   28.682   3.0941   59.009   3.4242   60.269   3.2838 -1.260475 4.744318 
1 1 1    1   12   18 o   65.533   2.2120   33.799   2.2716   33.225   3.2154   34.372   3.2097   64.869   3.1682   65.989   3.1082 -1.120003 4.438260 
1 1 1    1   12   19 o   16.091   5.8625   1.6958   1.9200   5.0876   2.7401  -1.5756   2.6910   24.796   6.8264   13.149   5.9761 11.64743 9.072703 
1 1 1    1   12   20 o   79.044   1.9379   49.133   2.4039   49.763   3.4245   48.521   3.3754   79.414   2.7520   78.417   2.7471 0.9971695 3.888469 
1 1 1    1   12   21 o   43.080   3.0361   14.728   2.0395   11.522   2.8448   18.118   2.9253   37.698   4.9265   47.634   3.9489 -9.936024 6.313829 
1 1 1    1   12   22 o   42.856   2.9828   14.596   1.9935   14.141   2.7751   15.081   2.8657   41.900   4.2805   43.285   4.2745 -1.385181 6.049255 
1 1 1    1   12   23 o   40.975   2.9738   13.378   1.8992   11.285   2.6574   15.563   2.7155   37.190   4.6549   43.962   3.9791 -6.772095 6.123846 
1 1 1    1   12   24 o   27.906   4.1515   6.3893   1.7628   4.2906   2.4456   8.6587   2.5431   22.417   6.5455   32.227   5.2060 -9.809280 8.363340 
1 1 1    1   12   25 o   41.730   2.8249   13.918   1.8391   11.080   2.5387   17.053   2.6678   36.677   4.5052   45.913   3.7349 -9.235596 5.852063 
1 1 1    1   12   26 o   13.606   5.4865   0.8397   1.8038  -1.0589   2.4589   3.0514   2.6540   12.652   5.7352   19.526   6.9198 -6.874575 8.987548 
1 1 1    1   12   27 o   44.482   2.6179   15.856   1.8193   15.936   2.5469   15.774   2.5998   44.135   3.7115   43.859   3.8151 0.2765160 5.322670 
1 1 1    1   12   28 o   27.330   4.3528   6.3644   1.8043   6.2977   2.5766   6.4285   2.5275   26.119   6.3489   26.485   6.1925 -0.3658237 8.868742 
1 1 1    1   12   29 o   19.648   5.0956   3.5216   1.5842   3.1274   2.1635   3.9773   2.3263   18.357   6.2627   20.304   6.4762 -1.947073 9.009019 
1 1 1    1   12   30 f   11.662   4.8563   0.6169   1.4717   2.2939   2.0218  -1.2733   2.1465   16.058   5.9868   10.857   5.0752 5.201418 7.848516 
1 1 1    1   12   31 o   9.6488   4.2492  -0.0368   1.2498   0.5002   1.7837  -0.5546   1.7516   12.074   5.1988   10.448   4.7764 1.626287 7.059822 
1 1 1    1   12   32 o   10.900   4.3943   0.7841   1.1568   1.5739   1.6784   0.0695   1.5965   13.514   5.3445   10.618   4.7324 2.896281 7.138591 
1 1 1    1   12   33 o   9.9503   4.4376   0.1560   1.4062   0.6371   1.9515  -0.3635   2.0280   11.745   5.2336   10.664   4.9679 1.080914 7.215971 
1 1 1    1   13    0 o  115.051   2.4298  104.013   4.3825  104.013   4.3825  104.013   4.3825  115.051   2.4298  115.051   2.4298 -0.000000 0.000000 
1 1 1    1   13    1 o  287.805   1.6179  650.002   7.3074  653.272   10.057  646.345   10.636  288.516   2.2211  286.980   2.3617 1.536835 3.242100 
1 1 1    1   13    2 o  237.667   1.4895  443.251   5.5554  446.345   7.8667  440.173   7.8464  238.486   2.1019  236.832   2.1112 1.654846 2.979134 
1 1 1    1   13    3 o  283.679   1.5629  631.491   6.9578  633.265   9.8554  629.728   9.8242  284.065   2.2108  283.271   2.2100 0.7945251 3.125960 
1 1 1    1   13    4 o  192.488   1.5152  290.748   4.5769  296.815   6.3050  283.990   6.6546  194.479   2.0659  190.229   2.2291 4.250229 3.039219 
1 1 1    1   13    5 o   67.292   2.2205   35.575   2.3416   34.050   3.3292   37.068   3.2943   65.784   3.2348   68.653   3.0654 -2.868668 4.456510 
1 1 1    1   13    6 o  137.568   1.6585  148.508   3.5805  150.708   5.1434  146.440   4.9875  138.576   2.3651  136.600   2.3266 1.975754 3.317674 
1 1 1    1   13    7 o  368.148   2.0559  1063.63   11.878  1051.70   15.497  1080.61   18.492  366.057   2.6978  371.035   3.1759 -4.977875 4.167041 
1 1 1    1   13    8 o   77.940   2.4486   47.724   2.9912   47.060   4.2460   48.378   4.2145   77.344   3.5073   78.426   3.4327 -1.082169 4.907608 
1 1 1    1   13    9 o  205.534   2.2671  331.555   7.3123  330.425   8.6493  334.385   13.691  205.173   2.6863  206.343   4.2281 -1.170685 5.009247 
1 1 1    1   13   10 o   71.182   2.6358   39.827   2.9393   36.062   4.1249   43.709   4.1895   67.655   3.9017   74.525   3.5928 -6.870102 5.303935 
1 1 1    1   13   11 o   82.988   2.3109   54.100   3.0067   54.053   4.2444   54.148   4.2599   82.906   3.2687   82.978   3.2778 -0.7180023E-01 4.629074 
1 1 1    1   13   12 o   68.989   2.5986   37.420   2.8084   34.506   3.9530   40.390   3.9906   66.163   3.8235   71.618   3.5618 -5.455551 5.225498 
1 1 1    1   13   13 o   95.270   1.9719   71.253   2.9482   68.488   4.1274   74.133   4.2125   93.338   2.8211   97.115   2.7669 -3.777168 3.951469 
1 1 1    1   13   14 o   74.589   2.2912   43.737   2.6787   46.039   3.7240   41.268   3.8561   76.470   3.1097   72.367   3.4050 4.102776 4.611274 
1 1 1    1   13   15 o  165.840   1.7574  215.966   4.5738  219.683   6.5046  212.330   6.4326  167.199   2.4790  164.375   2.4937 2.823517 3.516267 
1 1 1    1   13   16 o   92.965   2.0743   67.901   3.0261   66.553   4.1605   69.416   4.4096   91.937   2.8873   93.883   2.9968 -1.945992 4.161412 
1 1 1    1   13   17 o   68.456   2.5022   36.904   2.6835   37.919   3.8171   35.912   3.7735   69.270   3.5230   67.399   3.5805 1.870956 5.023104 
1 1 1    1   13   18 o   80.579   2.2469   51.104   2.8385   52.263   4.0003   49.929   4.0284   81.370   3.1386   79.514   3.2351 1.855606 4.507417 
1 1 1    1   13   19 o   82.746   2.2217   53.910   2.8823   54.122   4.0822   53.699   4.0702   82.765   3.1487   82.440   3.1519 0.3253174 4.455184 
1 1 1    1   13   20 o   36.617   3.9470   10.748   2.2323   11.238   3.0712   10.198   3.2502   37.116   5.4336   35.149   6.1143 1.967319 8.179828 
1 1 1    1   13   21 o   35.662   3.8987   10.219   2.1464   10.465   2.9565   9.9449   3.1211   35.710   5.4479   34.653   5.9539 1.057606 8.070214 
1 1 1    1   13   22 o   65.980   2.3057   34.391   2.3837   38.932   3.3528   29.750   3.3895   70.030   3.0582   61.072   3.5519 8.958160 4.687069 
1 1 1    1   13   23 o   24.700   5.3534   5.1474   2.0151   5.9052   2.8381   4.3770   2.8616   26.145   6.8399   22.814   7.1711 3.331209 9.910036 
1 1 1    1   13   24 o   20.338   5.8338   3.5183   1.9586   5.1320   2.7741   1.9143   2.7658   24.272   6.9366   17.782   6.9112 6.490326 9.791925 
1 1 1    1   13   25 f   34.916   3.6956   9.9217   1.9943   12.439   2.7744   7.2303   2.8686   38.761   4.6541   28.687   6.5204 10.07387 8.011048 
1 1 1    1   13   26 o   14.951   5.7203   1.4373   1.8735   2.9627   2.6274  -0.1404   2.6721   19.225   6.8774   14.272   6.2513 4.953257 9.293964 
1 1 1    1   13   27 o   16.307   5.7002   2.1449   1.7965   1.5064   2.5883   2.7385   2.4955   16.278   6.5693   18.389   6.6861 -2.111589 9.373312 
1 1 1    1   13   28 o   9.7378   4.5407  -1.2597   1.7006   2.3530   2.4522  -4.6068   2.3604   17.162   6.5499   9.1393   4.5147 8.022397 7.955111 
1 1 1    1   13   29 o   24.619   5.0742   5.5450   1.8952   3.8821   2.6384   7.3176   2.7241   19.742   6.9075   27.226   6.4714 -7.483648 9.465320 
1 1 1    1   13   30 o   12.483   5.1098   0.9188   1.5923  -0.1787   2.2464   2.0271   2.2574   12.251   5.5244   15.599   6.1888 -3.348163 8.295826 
1 1 1    1   13   31 o   10.589   4.7466  -0.1428   1.6309  -2.0575   2.3512   1.6326   2.2641   10.458   5.0104   14.626   6.0508 -4.167410 7.856035 
1 1 1    1   13   32 o   16.007   5.2813   2.7029   1.5396   4.6406   2.2147   0.8908   2.1417   19.795   6.3195   12.635   5.5633 7.160673 8.419445 
1 1 1    1   14    0 o  240.003   2.2313  452.128   8.4024  452.128   8.4024  452.128   8.4024  240.003   2.2313  240.003   2.2313 0.000000 0.000000 
1 1 1    1   14    1 o  243.546   1.6914  465.457   6.4645  472.101   9.1934  458.960   9.0917  245.266   2.3885  241.828   2.3957 3.437836 3.382968 
1 1 1    1   14    2 o  479.836   2.3182  1806.94   17.456  1787.84   23.589  1830.05   25.952  477.257   3.1496  482.843   3.4250 -5.586151 4.653022 
1 1 1    1   14    3 o  181.604   1.5588  258.799   4.4425  261.491   6.3074  256.150   6.2582  182.538   2.2019  180.664   2.2073 1.873917 3.117777 
1 1 1    1   14    4 o   28.025   5.5255   6.3853   2.3437   6.6185   3.3133   6.1519   3.3156   28.484   7.3599   27.528   7.4812 0.9557781 10.49460 
1 1 1    1   14    5 o  192.128   1.5887  289.667   4.7900  287.624   6.9710  291.494   6.5929  191.439   2.3204  192.725   2.1799 -1.285919 3.183710 
1 1 1    1   14    6 f  170.332   1.7390  227.680   4.6483  224.553   6.4031  231.164   6.7586  169.148   2.4122  171.618   2.5095 -2.469955 3.480860 
1 1 1    1   14    7 o  245.690   1.8649  473.723   7.1902  471.159   9.7455  476.786   10.652  245.007   2.5347  246.459   2.7540 -1.451935 3.742877 
1 1 1    1   14    8 o  115.706   1.9791  105.069   3.5936  102.119   5.0612  108.068   5.1032  114.058   2.8276  117.334   2.7715 -3.276047 3.959343 
1 1 1    1   14    9 o   99.125   2.3501   77.122   3.6558   74.105   5.2306   80.003   5.1115   97.089   3.4384  100.894   3.2325 -3.805077 4.719309 
1 1 1    1   14   10 o  122.719   2.0095  118.202   3.8699  115.364   5.2287  121.640   5.7547  121.221   2.7486  124.470   2.9461 -3.248573 4.029175 
1 1 1    1   14   11 o   73.168   2.3736   42.073   2.7218   42.435   3.7855   41.686   3.9163   73.429   3.2935   72.767   3.4393 0.6626663 4.761914 
1 1 1    1   14   12 o  115.182   1.8286  104.143   3.3054  103.945   4.5922  104.356   4.7614  115.049   2.5435  115.273   2.6321 -0.2237473 3.660223 
1 1 1    1   14   13 o  124.615   1.6602  121.908   3.2467  120.627   4.5854  123.197   4.5976  123.926   2.3578  125.241   2.3393 -1.314362 3.321354 
1 1 1    1   14   14 o   84.694   2.0033   56.339   2.6625   56.121   3.7685   56.557   3.7623   84.440   2.8480   84.769   2.8322 -0.3288803 4.016506 
1 1 1    1   14   15 o  100.991   1.8356   80.109   2.9092   84.480   4.1484   75.879   4.0808  103.662   2.5501   98.200   2.6505 5.461823 3.678031 
1 1 1    1   14   16 o   27.980   5.2457   6.4003   2.2187   1.3138   3.1199   11.605   3.1559   18.092   7.2432   37.878   5.4673 -19.78649 9.074982 
1 1 1    1   14   17 o   73.612   2.3686   42.667   2.7326   40.809   3.9025   44.454   3.8275   71.844   3.4717   75.024   3.2587 -3.180298 4.761495 
1 1 1    1   14   18 o   30.709   5.0785   7.6920   2.3620   7.8217   3.4403   7.5764   3.2485   30.550   7.2798   30.099   7.0087 0.4508438 10.10533 
1 1 1    1   14   19 o   26.890   5.8139   6.0088   2.3818   7.9098   3.5257   4.4130   3.2304   30.631   7.4151   23.561   7.6426 7.069315 10.64861 
1 1 1    1   14   20 o   14.063   6.0569  -0.1212   2.4223  -0.7354   3.3748   0.5315   3.4789   15.858   6.9831   17.608   7.4081 -1.749445 10.18060 
1 1 1    1   14   21 o   41.598   4.2950   13.960   2.7636   10.801   3.6056   18.459   4.3026   35.826   6.6582   47.371   5.9164 -11.54504 8.906995 
1 1 1    1   14   22 o   49.623   2.9605   19.600   2.2950   19.139   3.1908   20.094   3.3033   48.681   4.2182   49.875   4.2613 -1.193645 5.995981 
1 1 1    1   14   23 o   12.340   5.4510  -0.4734   2.0717  -1.4088   2.8864   0.5206   2.9754   13.612   6.1876   16.129   6.8220 -2.517145 9.210108 
1 1 1    1   14   24 o   29.246   4.5300   7.1073   2.0119   6.6147   2.8191   7.6185   2.8721   27.445   6.6221   29.587   6.3741 -2.141422 9.191381 
1 1 1    1   14   25 f   10.019   4.7304  -1.9951   1.9472  -5.4865   2.7377   1.5791   2.7700   9.9403   4.9013   17.011   6.8201 -7.071027 8.398633 
1 1 1    1   14   26 o   15.489   5.8146   1.6888   1.9139   2.0964   2.7062   1.2809   2.7072   17.569   6.8342   16.235   6.6561 1.334621 9.539943 
1 1 1    1   14   27 o   12.769   5.3692   0.5000   1.8257   0.2172   2.5751   0.7857   2.5889   14.185   6.1764   14.999   6.3546 -0.8139410 8.861628 
1 1 1    1   14   28 o   30.366   3.9860   7.8792   1.8537   6.8324   2.6261   8.9185   2.6168   26.630   6.3698   31.230   5.5423 -4.600161 8.443421 
1 1 1    1   14   29 o   8.8658   4.2474  -1.8780   1.6896  -3.0999   2.3932  -0.6638   2.3857   9.9796   4.8477   12.100   5.5476 -2.120184 7.367243 
1 1 1    1   14   30 o   23.447   4.7589   5.0939   1.6912   5.7696   2.4270   4.4560   2.3579   23.535   6.4025   20.540   6.5164 2.995251 9.135421 
1 1 1    1   14   31 o   12.756   5.2931   1.1206   1.7398  -0.7728   2.4279   3.1189   2.4943   11.573   5.4059   16.948   6.5699 -5.375299 8.508045 
1 1 1    1   14   32 o   11.555   4.8354   0.9689   1.4699   0.7938   2.0719   1.1464   2.0856   12.149   5.4044   12.658   5.5342 -0.5090504 7.735264 
1 1 1    1   15    0 o   25.950   11.628   7.6547   5.0469   7.6547   5.0469   7.6547   5.0469   25.950   11.628   25.950   11.628 -0.000000 0.000000 
1 1 1    1   15    1 o  335.703   2.4545  884.492   12.931  896.118   18.477  873.332   18.103  337.861   3.4849  333.539   3.4586 4.321869 4.909801 
1 1 1    1   15    2 o  219.362   1.8256  377.624   6.2845  380.315   8.9264  374.979   8.8493  220.127   2.5840  218.577   2.5799 1.549591 3.651425 
1 1 1    1   15    3 o  155.184   1.9704  188.994   4.7984  203.484   7.2993  177.967   6.3677  161.008   2.8889  150.578   2.6947 10.42995 3.950585 
1 1 1    1   15    4 o  105.810   2.1668   87.867   3.5980   87.688   5.1041   88.043   5.0726  105.646   3.0820  105.860   3.0566 -0.2147064 4.340694 
1 1 1    1   15    5 o   81.692   2.5123   52.431   3.2169   49.428   4.4913   55.594   4.6097   79.260   3.6205   84.074   3.5015 -4.814522 5.036709 
1 1 1    1   15    6 f  156.258   1.7284  191.614   4.2383  190.400   6.0496  192.785   5.9397  155.749   2.4751  156.723   2.4150 -0.9736176 3.458108 
1 1 1    1   15    7 o   86.638   2.1613   58.913   2.9386   53.945   4.1033   64.144   4.2104   82.832   3.1625   90.344   2.9738 -7.511223 4.341022 
1 1 1    1   15    8 o   42.446   3.8440   14.266   2.5328   16.759   3.5973   11.816   3.5666   45.898   5.0793   38.281   6.1448 7.616501 7.972359 
1 1 1    1   15    9 o   57.557   3.3028   26.103   2.9707   32.570   4.2213   19.757   4.1815   64.243   4.2103   49.825   5.4359 14.41821 6.875697 
1 1 1    1   15   10 o  102.279   1.8824   82.113   3.0213   85.484   4.3061   78.845   4.2403  104.305   2.6328  100.167   2.7000 4.138802 3.771148 
1 1 1    1   15   11 o  114.878   1.7729  103.596   3.1961  100.119   4.4934  107.156   4.5470  112.907   2.5360  116.810   2.4805 -3.902870 3.547412 
1 1 1    1   15   12 o   78.380   2.1944   48.288   2.6965   50.313   3.8486   46.335   3.7793   79.943   3.0734   76.706   3.1463 3.236832 4.398306 
1 1 1    1   15   13 o   95.903   1.9477   72.236   2.9313   70.217   4.1536   74.241   4.1375   94.463   2.8051   97.142   2.7167 -2.679771 3.905008 
1 1 1    1   15   14 o  179.610   1.5927  253.321   4.4891  254.990   6.3731  251.676   6.3243  180.132   2.2545  178.958   2.2519 1.174133 3.186534 
1 1 1    1   15   15 o   48.543   3.1939   18.637   2.4195   18.473   3.4417   18.798   3.4022   48.120   4.6141   48.562   4.5160 -0.4418449 6.456297 
1 1 1    1   15   16 o   63.082   2.5447   31.363   2.5140   30.633   3.5713   32.081   3.5395   62.191   3.6756   63.668   3.5566 -1.476654 5.114689 
1 1 1    1   15   17 o   18.377   6.2926   2.4937   2.1846   5.3474   3.0957  -0.3369   3.0832   25.448   7.3450   15.668   6.7907 9.780139 10.00313 
1 1 1    1   15   18 o   43.826   3.4954   15.280   2.3841   17.287   3.4053   13.350   3.3389   46.382   4.7452   40.552   5.3794 5.830402 7.173177 
1 1 1    1   15   19 o   46.996   3.1916   17.538   2.3398   17.377   3.3063   17.699   3.3118   46.485   4.5922   46.927   4.5543 -0.4418755 6.467609 
1 1 1    1   15   20 o   34.137   4.3366   9.4434   2.2708   11.834   3.1918   6.9928   3.2314   37.943   5.5224   28.633   7.1999 9.310350 9.073880 
1 1 1    1   15   21 o   57.906   3.1049   26.679   2.8112   25.060   3.9438   28.352   4.0082   55.673   4.5538   59.317   4.3359 -3.643806 6.287822 
1 1 1    1   15   22 o   53.056   2.7320   22.384   2.2670   18.960   3.2038   25.818   3.2084   48.349   4.2662   56.715   3.6238 -8.365540 5.597492 
1 1 1    1   15   23 o   11.875   5.3049  -0.6605   2.0186   1.0054   2.8876  -2.2527   2.8228   16.534   6.8362   12.564   5.8558 3.969412 9.001310 
1 1 1    1   15   24 o   8.5697   4.2539  -5.0407   2.1915  -6.0034   3.1297  -4.1145   3.0697   10.743   5.2862   11.718   5.6425 -0.9745741 7.731819 
1 1 1    1   15   25 o   26.740   5.5952   6.2259   2.2724   7.6630   3.2456   4.8440   3.1827   28.953   7.1789   23.213   7.5898 5.740414 10.44711 
1 1 1    1   15   26 o   14.267   5.9382   0.7873   2.1991  -0.1680   3.1351   1.7125   3.0854   15.073   6.6795   17.384   7.1141 -2.311256 9.758386 
1 1 1    1   15   27 o   31.172   4.6769   8.4578   2.2173   6.5924   3.1269   10.345   3.1448   25.647   7.3756   33.346   6.2388 -7.698751 9.660324 
1 1 1    1   15   28 o   10.961   5.0072  -0.6778   1.9204  -0.0946   2.6137  -1.3621   2.8311   13.351   5.9950   12.531   5.8484 0.8199635 8.375228 
1 1 1    1   15   29 o   9.6387   4.5556  -1.4527   1.8148  -2.2352   2.5736  -0.6788   2.5595   11.000   5.2625   12.360   5.6959 -1.359930 7.754853 
1 1 1    1   15   30 o   12.171   5.1936   0.6703   1.7508   0.4640   2.4717   0.8780   2.4804   13.248   5.8974   13.790   6.0320 -0.5421410 8.435874 
1 1 1    1   15   31 o   11.985   5.0843   0.9307   1.6608   0.8896   2.3580   0.9713   2.3396   12.931   5.7579   13.012   5.7680 -0.8094692E-01 8.150055 
1 1 1    1   16    0 o  408.567   2.7357  1310.23   17.539  1310.23   17.539  1310.23   17.539  408.567   2.7357  408.567   2.7357 -0.000000 0.000000 
1 1 1    1   16    1 o   18.014   6.8783   1.7364   2.7051   0.9694   3.8425   2.4900   3.8089   19.362   7.9331   21.433   8.1671 -2.070820 11.38582 
1 1 1    1   16    2 o  270.135   1.7007  572.674   7.2097  572.680   9.9021  572.666   10.518  270.118   2.3360  270.110   2.4813 0.8300781E-02 3.407867 
1 1 1    1   16    3 o   60.437   3.0928   28.750   2.9236   30.747   4.0130   26.491   4.2679   62.434   4.1188   57.877   4.7405 4.557922 6.279841 
1 1 1    1   16    4 o  121.050   1.8730  114.999   3.5580  112.791   4.9954  117.273   5.0690  119.871   2.6555  122.230   2.6426 -2.358864 3.746385 
1 1 1    1   16    5 o  194.684   1.6296  297.446   4.9786  299.438   7.0487  295.463   7.0329  195.319   2.2996  194.018   2.3099 1.301010 3.259413 
1 1 1    1   16    6 o  237.574   1.6530  442.953   6.1627  448.112   8.7248  437.817   8.7060  238.931   2.3269  236.169   2.3490 2.761459 3.306409 
1 1 1    1   16    7 o  105.409   2.0266   87.212   3.3523   91.121   4.7806   83.431   4.7022  107.690   2.8312  103.039   2.9109 4.651649 4.060696 
1 1 1    1   16    8 o  226.058   1.6176  401.082   5.7386  405.700   8.1894  396.627   8.0438  227.326   2.2956  224.770   2.2804 2.555511 3.235768 
1 1 1    1   16    9 o  188.389   1.7864  278.591   5.2812  281.379   7.7468  276.170   7.2186  189.286   2.6079  187.535   2.4528 1.750793 3.580174 
1 1 1    1   16   10 o   68.949   2.5350   37.393   2.7383   35.744   3.8419   39.094   3.9040   67.321   3.6502   70.424   3.5439 -3.102654 5.087495 
1 1 1    1   16   11 o   62.607   2.8860   30.877   2.8279   34.547   3.9792   27.132   4.0195   66.135   3.8507   58.515   4.4097 7.620495 5.854366 
1 1 1    1   16   12 o  115.005   1.9546  103.885   3.5276  102.855   4.9173  104.976   5.0634  114.377   2.7396  115.546   2.7924 -1.168655 3.911901 
1 1 1    1   16   13 o  145.190   1.9012  165.594   4.3319  161.725   6.2549  169.161   6.0052  143.391   2.7797  146.672   2.6090 -3.280365 3.812275 
1 1 1    1   16   14 o   40.947   4.4709   13.408   2.8263   15.992   4.0044   10.842   3.9898   44.491   5.8790   36.201   7.2756 8.289890 9.354023 
1 1 1    1   16   15 o   78.571   2.5343   48.629   3.1208   50.458   4.4641   46.880   4.3644   79.886   3.5699   76.988   3.6226 2.898628 5.085989 
1 1 1    1   16   16 f   50.810   3.5585   20.491   2.8194   15.672   4.0021   25.240   3.9727   43.901   5.9630   56.232   4.5405 -12.33083 7.494914 
1 1 1    1   16   17 o   29.491   5.8152   7.1971   2.5956   10.207   3.8359   4.6547   3.5253   34.904   7.2405   24.284   7.9905 10.62006 10.78302 
1 1 1    1   16   18 o   16.248   6.4465   1.2084   2.4493  -0.1017   3.5292   2.4257   3.4019   16.969   7.3097   20.185   7.7119 -3.215425 10.62565 
1 1 1    1   16   19 o   34.012   4.7884   9.4320   2.4852   10.813   3.5651   8.1267   3.4661   35.934   6.5639   30.878   7.2735 5.055683 9.797326 
1 1 1    1   16   20 o   33.929   4.5193   9.3889   2.3465   10.667   3.2471   7.9914   3.3948   35.730   6.0037   30.471   7.2122 5.258572 9.384021 
1 1 1    1   16   21 o   33.210   5.1746   9.1635   2.6090   11.148   3.7312   7.2648   3.6495   36.035   6.8484   28.715   7.8674 7.319578 10.43050 
1 1 1    1   16   22 o   40.025   3.6682   12.954   2.2784   18.795   3.3004   7.6350   3.1493   47.972   4.4341   29.499   6.9228 18.47330 8.221065 
1 1 1    1   16   23 o   17.070   6.3396   2.0612   2.2630  -1.0072   3.1984   5.1370   3.2022   14.692   6.6114   24.105   7.5871 -9.413646 10.06354 
1 1 1    1   16   24 o   20.436   6.4623   3.6188   2.3206   4.9161   3.2672   2.2980   3.2966   23.450   7.6913   18.928   7.4888 4.521618 10.73487 
1 1 1    1   16   25 f   29.631   5.1991   7.5848   2.3294   8.6803   3.3126   6.5131   3.2764   30.682   7.0307   26.281   7.5473 4.401194 10.31471 
1 1 1    1   16   26 o   16.523   6.3844   2.0193   2.3497   0.8392   3.2243   3.3559   3.4313   16.158   6.9737   19.908   7.7090 -3.750172 10.39525 
1 1 1    1   16   27 o   14.137   6.0037   0.8588   2.3202   0.7167   3.2666   1.0036   3.2960   15.595   6.8686   15.966   6.9691 -0.3706493 9.785022 
1 1 1    1   16   28 o   12.272   5.6365  -0.6570   2.4774  -2.9267   3.4933   1.6399   3.5141   12.532   6.0306   16.460   7.1903 -3.928456 9.384474 
1 1 1    1   16   29 o   23.258   6.3779   5.6661   2.3972   6.1061   3.4197   5.2409   3.3614   22.458   7.8635   21.011   7.7404 1.446991 11.03400 
1 1 1    1   16   30 o   13.409   5.7984   1.1006   2.2374   4.2877   3.1686  -2.0690   3.1599   18.574   7.3441   11.874   5.7195 6.700376 9.308494 
1 1 1    1   16   31 o   11.465   5.2063   0.3356   2.0371   1.8035   2.7440  -1.4669   3.0407   13.984   6.2202   11.446   5.5372 2.538535 8.327751 
1 1 1    1   17    0 o  133.726   2.8143  140.541   5.9002  140.541   5.9002  140.541   5.9002  133.726   2.8143  133.726   2.8143 0.000000 0.000000 
1 1 1    1   17    1 o  176.160   1.9608  243.561   5.4207  248.624   7.7075  238.605   7.6251  177.958   2.7599  174.335   2.7871 3.623322 3.922367 
1 1 1    1   17    2 o  261.920   1.7248  538.405   7.0896  541.621   10.039  535.206   10.014  262.673   2.4354  261.112   2.4437 1.560730 3.450070 
1 1 1    1   17    3 o  109.677   2.1651   94.421   3.7266  102.212   5.3325   86.984   5.2099  114.055   2.9818  105.200   3.1593 8.854607 4.344285 
1 1 1    1   17    4 o  129.696   1.9162  132.028   3.9000  131.701   5.5032  132.357   5.5277  129.516   2.7076  129.838   2.7129 -0.3220367 3.832913 
1 1 1    1   17    5 o   41.850   4.3578   13.916   2.8202   17.289   3.9966   10.570   3.9801   46.541   5.5833   35.971   7.3006 10.57063 9.190848 
1 1 1    1   17    6 o   43.699   4.3365   15.162   2.9347   17.740   3.9130   11.846   4.4367   47.171   5.3822   38.058   7.6935 9.112648 9.389208 
1 1 1    1   17    7 o  174.827   1.6824  239.914   4.6157  248.076   6.6098  232.147   6.4484  177.743   2.3697  171.941   2.3898 5.802094 3.365496 
1 1 1    1   17    8 o  223.253   1.6434  391.259   5.7576  392.293   8.1488  390.227   8.1362  223.500   2.3233  222.910   2.3259 0.5895996 3.287482 
1 1 1    1   17    9 o  118.250   1.9996  109.809   3.7106  113.377   5.6425  107.091   4.9254  120.094   2.9939  116.739   2.6886 3.355644 4.023947 
1 1 1    1   17   10 o   40.322   3.9923   12.932   2.4931   15.437   3.5200   10.411   3.5316   43.905   5.2103   35.689   6.5468 8.215725 8.367084 
1 1 1    1   17   11 o  202.064   1.6328  320.620   5.1777  319.968   7.3393  321.267   7.3056  201.779   2.3178  202.190   2.3024 -0.4112701 3.267007 
1 1 1    1   17   12 o   92.079   2.0886   66.625   3.0181   69.629   4.3164   63.752   4.2216   94.021   2.9290   89.953   2.9947 4.067665 4.188963 
1 1 1    1   17   13 o  108.942   2.0567   93.281   3.5162   90.000   4.9146   96.723   5.0328  106.877   2.9330  110.806   2.8968 -3.928352 4.122351 
1 1 1    1   17   14 o   23.965   6.5509   4.7438   2.5336   0.9309   3.5442   8.7288   3.6233   18.427   7.5918   32.340   7.3116 -13.91337 10.54011 
1 1 1    1   17   15 o   41.888   4.3915   14.059   2.8439   11.841   4.0136   16.297   4.0302   37.778   7.0286   44.795   5.8746 -7.016556 9.160317 
1 1 1    1   17   16 o   44.928   4.1983   16.149   2.9258   18.818   4.1396   13.484   4.1358   48.201   5.5753   40.376   6.7664 7.825382 8.767422 
1 1 1    1   17   17 o   31.665   5.8281   8.2994   2.7894   5.1123   3.8747   11.728   4.0190   25.312   8.3794   37.417   7.1041 -12.10550 10.98556 
1 1 1    1   17   18 o   28.731   5.8067   6.8926   2.5279   4.1359   3.5073   9.8730   3.6469   23.129   7.9713   34.162   7.0368 -11.03365 10.63294 
1 1 1    1   17   19 o   12.891   5.7437  -0.7780   2.3502  -2.8640   3.3602   1.2196   3.2882   13.667   6.3762   17.957   7.3458 -4.289242 9.727100 
1 1 1    1   17   20 o   29.334   5.2669   7.1948   2.3354   6.3685   3.4640   7.8835   3.1622   27.008   7.7617   30.215   6.8301 -3.206121 10.33898 
1 1 1    1   17   21 o   23.471   6.8122   4.7729   2.6561   4.5743   3.5134   5.0378   4.0576   23.394   7.9809   24.542   8.5675 -1.147814 11.70887 
1 1 1    1   17   22 o   20.798   6.5318   3.6953   2.3746   0.0483   3.3699   7.2918   3.3465   16.255   7.0718   28.484   7.4154 -12.22963 10.24683 
1 1 1    1   17   23 o   18.708   6.6207   2.7946   2.4288   1.9136   3.4669   3.6437   3.4036   18.661   7.5769   21.259   7.7961 -2.597923 10.87150 
1 1 1    1   17   24 o   29.267   6.1952   7.6347   2.7566   4.1985   3.9009   11.062   3.8959   22.233   8.3105   34.589   7.4010 -12.35587 11.12836 
1 1 1    1   17   25 o   38.266   4.2437   12.311   2.5056   8.3022   3.5086   16.482   3.5793   29.259   7.5806   43.533   5.3518 -14.27355 9.279376 
1 1 1    1   17   26 o   12.669   5.6829  -0.3213   2.3420   0.1623   3.3259  -0.7970   3.2986   15.239   6.8086   14.245   6.5283 0.9941578 9.432711 
1 1 1    1   17   27 o   9.3065   4.5245  -2.8985   2.0967  -3.6574   2.9324  -2.1047   2.9989   10.968   5.3367   12.197   5.7914 -1.228328 7.875306 
1 1 1    1   17   28 o   12.115   5.3889   0.1060   2.0598   2.9600   2.9317  -2.6767   2.8948   17.476   7.0129   11.356   5.4710 6.120342 8.894507 
1 1 1    1   17   29 o   13.790   5.6964   1.3965   2.0023   2.1482   2.8527   0.6665   2.8113   15.814   6.6838   13.916   6.2355 1.897488 9.140788 
1 1 1    1   17   30 o   13.711   5.6046   1.7718   1.9124   0.9372   2.7033   2.6080   2.7057   13.271   6.0151   15.348   6.4993 -2.076827 8.855611 
1 1 1    1   18    0 o   79.219   3.7562   49.612   4.6457   49.612   4.6457   49.612   4.6457   79.219   3.7562   79.219   3.7562 0.000000 0.000000 
1 1 1    1   18    1 o  143.671   1.8618  162.027   4.1976  167.119   5.9827  157.089   5.8910  145.884   2.6133  141.437   2.6541 4.447311 3.724704 
1 1 1    1   18    2 o   93.797   2.3526   69.121   3.4602   72.990   4.9363   65.384   4.8518   96.332   3.2700   91.160   3.3975 5.172882 4.715497 
1 1 1    1   18    3 o  122.486   1.9992  117.778   3.8429  113.935   5.4275  121.642   5.4418  120.438   2.8716  124.449   2.7864 -4.010468 4.001305 
1 1 1    1   18    4 o   25.353   7.1206   5.2180   2.9491   6.4274   4.1035   3.9262   4.2411   28.352   8.5299   24.264   8.7307 4.088503 12.20594 
1 1 1    1   18    5 o  110.698   2.3359   96.234   4.0579   95.313   5.7619   97.141   5.7157  110.067   3.3397  111.124   3.2812 -1.056519 4.681855 
1 1 1    1   18    6 o   75.932   3.6575   45.457   4.3454   40.775   6.1681   50.070   6.1229   71.677   5.5262   79.554   4.9286 -7.876823 7.404783 
1 1 1    1   18    7 f   77.207   2.8353   46.917   3.4294   48.149   4.8590   45.694   4.8409   78.100   3.9776   76.066   4.0701 2.033119 5.690984 
1 1 1    1   18    8 o   40.192   4.9213   12.940   3.0393   13.819   4.3523   12.104   4.2462   41.163   6.9872   38.400   7.3134 2.762798 10.11462 
1 1 1    1   18    9 o  108.993   2.3026   93.354   3.9385   90.246   5.5710   96.460   5.5687  107.025   3.3210  110.666   3.2099 -3.641556 4.618706 
1 1 1    1   18   10 f   56.920   3.2840   25.594   2.9209   29.844   4.2078   21.642   4.0579   61.325   4.4016   52.069   5.0286 9.256073 6.682874 
1 1 1    1   18   11 o   18.732   6.6865   2.4062   2.4823   3.0460   3.5485   1.7932   3.4735   21.657   7.9573   19.549   7.7018 2.108019 11.07416 
1 1 1    1   18   12 o   32.635   5.0701   8.6416   2.5124   9.0911   3.6076   8.2182   3.5010   33.068   7.1596   31.406   7.2502 1.662336 10.18948 
1 1 1    1   18   13 o   16.038   6.3827   1.1015   2.4081  -3.5020   3.3981   5.7459   3.4132   13.434   6.3137   26.409   7.7386 -12.97539 9.987406 
1 1 1    1   18   14 o   48.111   3.5353   18.388   2.6506   18.544   3.7616   18.235   3.7355   48.008   5.0694   47.600   5.0791 0.4075279 7.176039 
1 1 1    1   18   15 o   25.815   6.3952   5.5747   2.5773   3.4933   3.6171   7.7214   3.6733   22.309   8.0582   30.220   7.7189 -7.911404 11.15870 
1 1 1    1   18   16 o   29.568   5.5809   7.2360   2.4947   1.5907   3.5435   12.784   3.5129   19.174   7.7046   39.468   5.8484 -20.29386 9.672902 
1 1 1    1   18   17 o   59.633   2.9426   28.189   2.7453   27.520   3.8376   28.890   3.9289   58.613   4.1999   60.063   4.1947 -1.449669 5.935866 
1 1 1    1   18   18 o   22.442   6.4717   4.2389   2.4043   5.8975   3.3653   2.5094   3.4363   26.250   7.6820   20.148   7.7376 6.101685 10.90333 
1 1 1    1   18   19 o   35.545   4.2577   10.290   2.3278   7.4183   3.2912   13.165   3.2929   29.187   7.2246   39.862   5.4029 -10.67533 9.021437 
1 1 1    1   18   20 o   22.064   6.2868   4.1801   2.2820   1.7269   3.2852   6.4674   3.1722   18.422   7.4129   27.080   7.3000 -8.657846 10.40392 
1 1 1    1   18   21 o   24.981   6.0300   5.4266   2.3368   4.6701   3.3299   6.1607   3.2801   23.279   7.7698   26.216   7.5587 -2.936691 10.83990 
1 1 1    1   18   22 o   20.893   6.4494   3.7941   2.3260   1.9934   3.3112   5.5481   3.2680   18.550   7.4499   24.763   7.6448 -6.212746 10.67449 
1 1 1    1   18   23 o   29.697   5.3737   7.6180   2.4122   8.1817   3.3656   7.0226   3.4590   29.785   7.2661   27.364   7.7210 2.420530 10.60235 
1 1 1    1   18   24 o   17.577   6.4072   2.4906   2.2938   1.3963   3.2593   3.5644   3.2287   17.161   7.1923   20.421   7.5747 -3.259520 10.44534 
1 1 1    1   18   25 o   14.118   5.9709   0.7857   2.2789   0.4141   3.2111   1.1628   3.2348   15.419   6.7998   16.340   7.0179 -0.9215155 9.771824 
1 1 1    1   18   26 o   15.904   6.2431   2.0397   2.2752   0.4127   3.2863   3.5375   3.1531   15.102   6.7561   19.078   7.3891 -3.976119 10.01218 
1 1 1    1   18   27 o   11.340   5.3534  -1.5733   2.4919  -3.6390   3.4830   0.5927   3.5665   11.981   5.8265   15.273   6.9168 -3.291210 9.043799 
1 1 1    1   18   28 o   12.514   5.6822  -0.0935   2.4259  -0.4178   3.4186   0.2355   3.4431   13.881   6.4610   14.479   6.6480 -0.5974092 9.270404 
1 1 1    1   18   29 f   13.562   5.9418   1.1935   2.4154  -0.6732   3.4229   3.0448   3.4088   13.039   6.1901   16.466   7.1386 -3.427816 9.448617 
1 1 1    1   18   30 o   13.181   5.8160   1.4842   2.3524   2.2636   3.4045   0.7722   3.2541   14.524   6.6471   13.164   6.1842 1.359782 9.079044 
1 1 1    1   19    0 o  238.363   2.4615  446.215   9.2055  446.215   9.2055  446.215   9.2055  238.363   2.4615  238.363   2.4615 -0.000000 0.000000 
1 1 1    1   19    1 o   20.506   7.5053   2.6890   3.1521   1.9660   4.6590   3.2993   4.2805   22.155   8.8577   23.325   8.7081 -1.169678 12.42134 
1 1 1    1   19    2 o   27.095   7.6065   5.9890   3.3661   4.1385   4.7826   7.8055   4.7385   25.265   9.2453   31.015   9.1262 -5.750101 12.99087 
1 1 1    1   19    3 o   97.518   2.6299   74.784   4.0210   73.136   5.6956   76.421   5.6775   96.324   3.7752   98.477   3.6803 -2.153351 5.272248 
1 1 1    1   19    4 o  114.291   2.3985  102.632   4.3018  101.571   6.0623  103.708   6.1053  113.570   3.4053  114.761   3.3938 -1.190811 4.807658 
1 1 1    1   19    5 o   44.814   4.7598   16.024   3.2963   18.049   4.6714   14.016   4.6519   47.287   6.4641   41.369   7.4390 5.917881 9.855161 
1 1 1    1   19    6 o   25.173   7.8567   5.0269   3.4412   5.7575   5.3174   4.5005   4.5138   28.139   9.8089   25.377   9.0212 2.761904 13.32651 
1 1 1    1   19    7 o   83.062   2.8217   54.328   3.6727   49.314   5.1643   59.459   5.2242   78.960   4.1826   86.772   3.8460 -7.812561 5.682081 
1 1 1    1   19    8 o   37.201   5.3877   11.184   3.0538   14.274   4.4806   8.5030   4.1733   41.754   7.0914   31.964   8.2606 9.790140 10.88695 
1 1 1    1   19    9 o   17.861   7.0219   1.5005   2.8820   10.060   4.0418  -7.3540   4.1107   34.788   7.6151   12.893   6.2831 21.89586 9.872554 
1 1 1    1   19   10 o   33.597   5.3780   9.1790   2.7399   8.3964   3.7420   10.083   4.0227   31.714   7.6151   34.790   7.5828 -3.076012 10.74655 
1 1 1    1   19   11 o   11.594   5.4300  -2.4556   2.4761  -4.8500   3.5299  -0.1360   3.4743   12.829   6.1445   16.916   7.2692 -4.086197 9.518169 
1 1 1    1   19   12 o   40.296   4.2387   13.002   2.6403   10.680   3.7691   15.238   3.6998   35.860   6.9487   43.372   5.5638 -7.512707 8.901663 
1 1 1    1   19   13 o   39.561   4.3380   12.565   2.6491   10.722   3.7674   14.367   3.7256   35.878   6.9422   41.988   5.8097 -6.109867 9.052462 
1 1 1    1   19   14 o   72.373   2.6715   41.356   3.0290   39.272   4.2713   43.465   4.2961   70.277   3.8881   73.986   3.7120 -3.709274 5.375520 
1 1 1    1   19   15 o   26.767   6.2822   6.0177   2.5933   2.6137   3.5904   9.7304   3.7497   20.758   7.9247   33.924   7.2624 -13.16688 10.74907 
1 1 1    1   19   16 o   51.872   3.3472   21.422   2.7102   19.841   3.8083   23.044   3.8576   49.480   4.9719   53.462   4.6440 -3.982159 6.803460 
1 1 1    1   19   17 o   22.871   6.7038   4.4095   2.5610  -0.3631   3.7039   8.7814   3.5450   16.881   7.3778   31.938   7.2405 -15.05725 10.33721 
1 1 1    1   19   18 o   22.741   6.6216   4.4082   2.5059   0.6792   3.6041   7.8981   3.4867   17.752   7.5083   30.041   7.4361 -12.28926 10.56738 
1 1 1    1   19   19 o   27.233   6.3421   6.4235   2.6596   9.7681   3.7957   3.1974   3.7278   33.241   7.4599   21.294   8.0879 11.94714 11.00294 
1 1 1    1   19   20 o   23.209   6.8601   4.7199   2.6724   5.3638   3.7674   4.0677   3.7914   24.721   8.2647   22.536   8.2340 2.184837 11.66636 
1 1 1    1   19   21 o   14.760   6.3700   0.1735   2.6898   2.8197   3.8515  -2.3461   3.7582   20.501   8.0996   14.693   6.8169 5.807376 10.58655 
1 1 1    1   19   22 o   38.393   4.6075   12.338   2.7206   5.9842   3.7290   19.570   3.9783   25.307   8.2113   47.960   5.3783 -22.65238 9.815939 
1 1 1    1   19   23 o   12.589   5.7224  -0.9466   2.4687   1.1692   3.4833  -3.0820   3.4993   17.277   7.3474   13.255   6.2830 4.021630 9.667511 
1 1 1    1   19   24 o   27.074   6.1462   6.8354   2.5514   5.7900   3.6010   7.8893   3.6156   23.794   8.0805   27.733   7.9170 -3.938786 11.31249 
1 1 1    1   19   25 o   17.731   6.4144   2.9161   2.2930   6.9078   3.2301  -1.1390   3.2556   25.448   7.5471   13.647   6.3360 11.80076 9.854087 
1 1 1    1   19   26 o   13.578   5.8675   0.7651   2.2883   1.8190   3.1926  -0.3484   3.2814   16.231   6.9715   14.044   6.4637 2.186989 9.506898 
1 1 1    1   19   27 o   20.696   6.3133   4.5259   2.2371   4.5047   3.1738   4.5468   3.1538   19.756   7.4721   19.837   7.4605 -0.8164024E-01 10.55893 
1 1 1    1   19   28 f   10.196   4.8609  -1.5803   2.1559  -1.7397   3.0581  -1.4227   3.0397   11.948   5.7213   12.147   5.7857 -0.1994581 8.136778 
1 1 1    1   19   29 f   13.426   5.7239   1.6543   2.1232   2.2742   3.0272   1.0541   2.9788   14.669   6.5285   13.383   6.1592 1.285793 8.975350 
1 1 1    1   20    0 o   11.063   7.5148  -2.1147   3.9406  -2.1147   3.9406  -2.1147   3.9406   11.063   7.5148   11.063   7.5148 0.000000 0.000000 
1 1 1    1   20    1 o  102.053   2.2267   81.838   3.5662   81.902   5.0398   81.773   5.0469  101.971   3.1532  101.890   3.1602 0.8136749E-01 4.464233 
1 1 1    1   20    2 o   18.088   6.9320   1.7768   2.7542  -4.1571   3.9117   7.6105   3.8785   14.370   6.7598   30.317   8.0269 -15.94771 10.49412 
1 1 1    1   20    3 o   95.443   2.2878   71.591   3.4266   69.811   4.8098   73.425   4.8830   94.115   3.2615   96.528   3.2280 -2.413040 4.588823 
1 1 1    1   20    4 f   66.982   2.8987   35.364   3.0398   35.369   4.2474   35.359   4.3523   66.841   4.0685   66.816   4.1717 0.2497864E-01 5.827116 
1 1 1    1   20    5 o   70.395   2.7812   39.045   3.0664   40.472   4.3414   37.625   4.3316   71.532   3.8820   68.943   4.0210 2.589638 5.589134 
1 1 1    1   20    6 o   21.714   7.6448   3.3444   3.2351   4.8812   4.5900   1.8274   4.5603   25.963   9.1089   21.661   8.7276 4.302408 12.61520 
1 1 1    1   20    7 o   90.885   2.3560   64.998   3.3574   64.674   4.7286   65.326   4.7677   90.530   3.3341   90.984   3.3449 -0.4541016 4.722744 
1 1 1    1   20    8 o   93.185   2.3053   68.292   3.3711   66.593   4.7752   69.980   4.7599   91.847   3.3184   94.172   3.2256 -2.325066 4.627769 
1 1 1    1   20    9 o   47.043   4.1490   17.640   3.0316   16.415   4.4039   18.743   4.1797   44.867   6.4388   48.198   5.6320 -3.330776 8.554373 
1 1 1    1   20   10 o   37.463   5.3554   11.396   3.0590   10.207   4.3625   12.546   4.2906   34.792   8.1362   38.850   7.3056 -4.057858 10.93476 
1 1 1    1   20   11 o   20.838   7.3333   3.1390   2.9766   11.819   4.3001  -4.8465   4.1245   37.559   7.5576   14.323   6.7985 23.23585 10.16547 
1 1 1    1   20   12 o   49.128   4.1222   19.281   3.1488   17.944   4.5003   20.563   4.4074   46.830   6.2820   50.361   5.6755 -3.530987 8.466079 
1 1 1    1   20   13 o   78.851   2.8897   49.152   3.5696   47.832   5.0151   50.509   5.0821   77.479   4.1397   79.641   4.0799 -2.161476 5.812258 
1 1 1    1   20   14 o   36.211   5.5345   10.777   3.0453   14.525   4.1531   6.4188   4.4788   41.826   6.5415   27.825   8.9968 14.00125 11.12359 
1 1 1    1   20   15 o   23.210   7.1655   4.4737   2.8710  -1.2152   4.0702   10.107   4.0503   16.902   7.5430   34.263   7.7187 -17.36076 10.79242 
1 1 1    1   20   16 o   24.452   6.8426   5.1065   2.7285   3.2076   3.9202   6.8908   3.8000   21.865   8.2965   28.139   8.1425 -6.274473 11.62463 
1 1 1    1   20   17 o   27.521   6.5201   6.5356   2.7724   4.6902   4.0851   8.1112   3.7748   24.166   8.5830   30.273   7.8728 -6.107033 11.64689 
1 1 1    1   20   18 o   12.855   5.9325  -1.8639   2.7911   1.7218   3.9739  -5.3549   3.9211   19.561   8.0469   13.166   6.3492 6.394935 10.25011 
1 1 1    1   20   19 o   18.853   7.0651   2.5484   2.8231   8.4137   4.0285  -3.1117   3.9574   30.240   8.2579   14.647   6.8612 15.59348 10.73636 
1 1 1    1   20   20 o   18.974   7.3343   2.4739   3.1018   3.4852   4.1945   1.2534   4.6079   21.802   8.5006   19.644   8.4051 2.158611 11.95432 
1 1 1    1   20   21 o   30.489   5.9799   8.1744   2.7589   8.0982   3.9566   8.2465   3.8490   29.109   8.2728   29.473   8.0814 -0.3639431 11.56496 
1 1 1    1   20   22 o   14.175   6.1792   0.1152   2.5836   1.5429   3.6798  -1.2728   3.6284   18.058   7.6095   15.001   6.8641 3.057258 10.24797 
1 1 1    1   20   23 o   15.917   6.4655   1.5633   2.5257   5.3969   3.4670  -2.7718   3.6867   23.234   7.9280   13.633   6.4582 9.600936 10.22554 
1 1 1    1   20   24 o   11.866   5.4814  -1.0467   2.3908  -2.3603   3.3621   0.2970   3.4003   12.932   6.1381   15.306   6.8579 -2.373630 9.203615 
1 1 1    1   20   25 o   15.214   6.2433   1.7085   2.3847  -2.4199   3.3495   5.9527   3.3961   12.564   6.0089   22.685   7.8428 -10.12103 9.880091 
1 1 1    1   20   26 o   10.371   4.9588  -1.9813   2.2786   0.2909   3.2072  -4.2971   3.2378   14.292   6.5067   11.017   5.4123 3.274511 8.463430 
1 1 1    1   20   27 o   20.135   6.4304   4.4951   2.2930   6.0200   3.2702   3.0205   3.2159   21.709   7.6824   17.017   7.1389 4.692095 10.48732 
1 1 1    1   20   28 o   13.980   5.8953   1.8701   2.2111   3.1918   3.1511   0.5882   3.1033   16.002   6.9001   13.255   6.1650 2.746274 9.253025 
1 1 1    1   21    0 o   21.214   11.529   5.1388   5.4100   5.1388   5.4100   5.1388   5.4100   21.214   11.529   21.214   11.529 0.000000 0.000000 
1 1 1    1   21    1 o   47.389   5.5789   18.067   4.0695   19.951   5.7849   16.222   5.7257   49.313   7.7290   44.150   8.5732 5.163383 11.54289 
1 1 1    1   21    2 o   84.892   3.1279   56.840   4.1599   54.834   5.9610   58.743   5.8078   83.132   4.5871   86.107   4.3117 -2.975060 6.295422 
1 1 1    1   21    3 o   16.333   7.0010  -0.0964   3.2075  -0.3953   4.5159   0.2079   4.5566   19.032   8.2338   19.749   8.4012 -0.7162247 11.76330 
1 1 1    1   21    4 o   23.581   7.5399   4.3886   3.1518   2.5653   4.3972   6.3151   4.5199   22.281   8.6988   28.135   9.0327 -5.854109 12.54031 
1 1 1    1   21    5 f   49.394   3.8943   19.391   2.9942   21.563   4.2453   17.240   4.2238   51.839   5.2926   46.142   5.9731 5.697105 7.980545 
1 1 1    1   21    6 o   35.918   5.6775   10.517   3.0939   10.920   4.1368   10.005   4.6609   36.186   7.5303   34.443   8.6392 1.742771 11.46037 
1 1 1    1   21    7 o   51.903   3.6510   21.387   2.9548   21.294   4.2098   21.476   4.1483   51.466   5.2876   51.712   5.1816 -0.2460213 7.403174 
1 1 1    1   21    8 o   45.114   4.1160   16.251   2.8820   13.559   4.0575   18.993   4.0942   40.595   6.5953   48.501   5.4747 -7.905972 8.571501 
1 1 1    1   21    9 o   14.421   6.3319  -0.6070   2.7564  -0.2729   3.9602  -0.9211   3.8390   17.821   7.7101   16.856   7.4343 0.9647560 10.71049 
1 1 1    1   21   10 o   38.614   4.8083   12.054   2.8507   14.455   4.0695   9.7391   3.9946   41.917   6.3881   33.938   7.6803 7.979137 9.989697 
1 1 1    1   21   11 o   42.370   4.2228   14.405   2.7705   17.553   3.9466   11.346   3.8900   46.480   5.5183   36.823   6.9873 9.656948 8.903638 
1 1 1    1   21   12 o   35.858   4.9329   10.468   2.7023   11.663   3.8455   9.3032   3.7983   37.332   6.8149   33.078   7.4918 4.254066 10.12769 
1 1 1    1   21   13 o   59.168   3.3409   27.844   3.0895   27.950   4.4504   27.745   4.2923   58.845   4.8627   58.680   4.7004 0.1645851 6.763090 
1 1 1    1   21   14 o   47.109   3.8455   17.810   2.8182   17.070   3.9454   18.582   4.0269   45.535   5.6418   47.591   5.4926 -2.055424 7.873915 
1 1 1    1   21   15 o   15.148   6.3403   0.5286   2.5280  -3.0364   3.5283   4.2892   3.6238   13.901   6.5012   23.213   8.0971 -9.312062 10.38409 
1 1 1    1   21   16 o   29.685   5.7747   7.4804   2.5933   5.8314   3.6658   9.1322   3.6690   25.857   8.1150   32.225   7.4101 -6.368345 10.98918 
1 1 1    1   21   17 o   25.740   6.3933   5.7759   2.5709   3.5130   3.6837   7.9248   3.5897   21.653   8.0794   29.737   7.6491 -8.084221 11.12585 
1 1 1    1   21   18 o   10.406   5.0198  -3.4961   2.4549  -5.0522   3.4831  -1.9600   3.4606   12.198   5.9070   14.399   6.6311 -2.201888 8.880525 
1 1 1    1   21   19 o   23.406   6.6609   4.8849   2.5633   5.0809   3.6258   4.6891   3.6244   23.870   8.1082   23.179   8.0969 0.6909275 11.45878 
1 1 1    1   21   20 o   13.462   6.2465  -1.9793   3.1570  -1.8411   5.2515  -2.0575   3.9506   17.732   8.1668   15.184   7.0252 2.548265 10.77260 
1 1 1    1   21   21 o   14.194   6.1327   0.2850   2.4989   1.2794   3.5491  -0.6925   3.5190   17.514   7.4311   15.302   6.9059 2.212382 10.14465 
1 1 1    1   21   22 o   9.6331   4.7262  -4.2159   2.4443  -9.7773   3.4542   1.3624   3.4594   9.6522   4.8682   17.089   7.2966 -7.436977 8.771519 
1 1 1    1   21   23 o   12.026   5.5423  -0.9835   2.4242   1.8339   3.4430  -3.7531   3.4137   17.110   7.2915   12.119   5.8638 4.990638 9.356878 
1 1 1    1   21   24 o   19.857   6.8456   4.1275   2.5867   1.4565   3.5139   7.2870   3.8217   16.231   7.1372   24.562   8.3246 -8.331200 10.96528 
1 1 1    1   21   25 o   15.451   6.4431   1.8872   2.5961  -2.4038   3.6388   6.3360   3.7051   12.862   6.1805   22.380   8.1454 -9.518488 10.22478 
1 1 1    1   21   26 o   11.893   5.5365  -0.7262   2.5119  -0.9160   3.5405  -0.5338   3.5642   13.473   6.3666   13.793   6.4774 -0.3198452 9.082370 
1 1 1    1   21   27 o   11.022   5.2969  -1.5805   2.6744  -1.8750   3.7890  -1.2881   3.7755   12.492   6.0752   12.811   6.1910 -0.3194199 8.673895 
1 1 1    1   21   28 o   10.483   5.0336  -1.0895   2.4026  -7.7142   3.3484   5.9418   3.4496   8.9989   4.5670   18.357   7.5185 -9.358622 8.796872 
1 1 1    1   22    0 o   37.040   8.1120   12.328   4.1284   12.328   4.1284   12.328   4.1284   37.040   8.1120   37.040   8.1120 -0.000000 0.000000 
1 1 1    1   22    1 o   30.654   6.1332   7.7693   2.8473   9.2409   4.0141   6.2791   4.0394   33.162   7.8381   27.695   8.4902 5.466532 11.55509 
1 1 1    1   22    2 o   37.542   5.0623   11.400   2.9065   5.7342   4.0753   17.265   4.1465   26.739   8.5762   46.148   5.8574 -19.40943 10.38557 
1 1 1    1   22    3 o   74.326   2.7846   43.588   3.2422   43.239   4.5402   43.951   4.6315   73.826   3.9330   74.423   3.9801 -0.5969849 5.595503 
1 1 1    1   22    4 o   53.351   3.6477   22.602   3.0356   23.521   4.3155   21.702   4.2709   54.120   5.1429   51.925   5.3163 2.195202 7.396785 
1 1 1    1   22    5 o   29.784   6.4080   7.3877   2.9062   3.7788   4.0886   11.073   4.1318   23.445   8.5530   36.354   7.4916 -12.90975 11.37007 
1 1 1    1   22    6 o   12.104   5.7203  -3.2032   2.8599  -4.4407   4.0370  -1.9564   4.0520   14.372   6.7934   16.365   7.3960 -1.993038 10.04248 
1 1 1    1   22    7 o   50.348   3.9182   20.209   3.0715   21.314   4.4163   19.174   4.2747   51.314   5.5736   48.601   5.7137 2.712852 7.981906 
1 1 1    1   22    8 o   17.153   7.0382   0.9218   3.0302   0.0042   4.2845   1.8401   4.2861   18.769   8.0690   20.919   8.4497 -2.150738 11.68361 
1 1 1    1   22    9 o   20.789   7.5514   3.0025   3.1822   3.8452   4.5669   2.2072   4.4366   24.009   8.9884   21.603   8.6414 2.406147 12.46858 
1 1 1    1   22   10 o   30.840   6.8098   8.0289   3.2076   12.005   4.5852   4.2183   4.4888   37.485   8.0360   24.389   8.9515 13.09616 12.02942 
1 1 1    1   22   11 o   13.630   6.2625  -2.0481   3.0624  -3.9986   4.3304  -0.0968   4.3313   15.261   7.1581   18.614   8.0582 -3.352512 10.77835 
1 1 1    1   22   12 o   77.337   3.0934   47.486   3.7467   46.300   5.2423   48.725   5.3568   75.901   4.4203   77.878   4.4010 -1.976776 6.237635 
1 1 1    1   22   13 o   21.544   7.4376   3.6458   3.0538   4.7419   4.2948   2.5250   4.3430   24.604   8.7939   21.487   8.5649 3.117193 12.27558 
1 1 1    1   22   14 o   22.122   7.4040   4.0140   3.0234   6.2753   4.2570   1.7124   4.2948   26.895   8.7768   20.244   8.3506 6.650908 12.11464 
1 1 1    1   22   15 o   18.999   7.1793   2.4632   2.9284  -1.3443   4.1503   6.2382   4.1325   16.641   7.5061   26.593   8.6454 -9.951744 11.44928 
1 1 1    1   22   16 o   17.705   6.8935   1.9364   2.7554  -3.1196   3.8572   7.2055   3.9377   14.442   6.7679   28.113   8.3316 -13.67131 10.73411 
1 1 1    1   22   17 o   17.255   6.8583   1.7057   2.7770   1.7229   3.9204   1.6883   3.9342   19.203   7.9550   19.182   7.9596 0.2136230E-01 11.25331 
1 1 1    1   22   18 o   17.051   6.8261   1.6571   2.7706   0.7108   3.9183   2.6035   3.9182   17.844   7.6944   20.163   8.1019 -2.319014 11.17341 
1 1 1    1   22   19 o   13.882   6.1159  -0.2065   2.5916  -0.0376   3.6625  -0.3759   3.6676   16.412   7.2488   16.075   7.1681 0.3367615 10.19448 
1 1 1    1   22   20 o   14.789   6.5725  -0.2245   3.0568   2.3336   4.3684  -2.6789   4.2790   19.818   8.3175   15.130   7.1027 4.687358 10.93751 
1 1 1    1   22   21 o   12.198   5.6594  -1.4447   2.5908  -0.6991   3.6879  -2.1711   3.6403   15.271   6.9619   13.959   6.5525 1.311119 9.560502 
1 1 1    1   22   22 o   17.831   6.8580   2.8245   2.7023   5.7760   3.8934   0.0808   3.7537   22.853   8.3449   15.638   7.0879 7.214443 10.94880 
1 1 1    1   22   23 o   11.560   5.5246  -2.3040   2.8204  -1.2070   3.8677  -3.5497   4.1216   14.319   6.7315   13.236   6.4135 1.083090 9.297694 
1 1 1    1   22   24 o   15.305   6.5975   1.5827   2.8790   0.9992   4.0978   2.1515   4.0457   15.956   7.2988   16.949   7.5450 -0.9931345 10.49754 
1 1 1    1   22   25 o   17.310   6.8743   3.2021   2.7876   6.9173   3.9232  -0.5861   3.9616   22.386   8.3409   14.271   6.7408 8.114517 10.72422 
1 1 1    1   22   26 o   15.821   6.4436   2.7805   2.5164   1.5501   3.5068   4.0865   3.6131   14.764   6.7530   17.431   7.4502 -2.667214 10.05525 
1 1 1    1   22   27 f   9.4732   4.6666  -2.7665   2.4622  -8.2477   3.4182   3.1450   3.5498   8.9728   4.5599   15.151   6.8773 -6.178511 8.251677 
1 1 1    1   23    0 o   28.582   10.144   8.6208   4.1412   8.6208   4.1412   8.6208   4.1412   28.582   10.144   28.582   10.144 -0.000000 0.000000 
1 1 1    1   23    1 o   43.565   4.4661   15.240   3.0101   17.274   4.3356   13.347   4.1824   45.967   6.1657   40.100   6.8946 5.867172 9.249406 
1 1 1    1   23    2 o   23.286   7.2387   4.4044   2.9242   0.0630   4.1114   8.8489   4.1599   18.485   7.9250   32.253   8.2015 -13.76805 11.40479 
1 1 1    1   23    3 o   40.705   4.8282   13.384   3.0242   17.413   4.2773   9.3569   4.2765   46.169   6.0488   33.135   8.2548 13.03380 10.23382 
1 1 1    1   23    4 o   41.031   4.8176   13.601   3.0430   15.961   4.2853   11.201   4.3218   44.055   6.3843   36.369   7.8059 7.685692 10.08424 
1 1 1    1   23    5 o   34.994   5.7519   10.080   3.0490   7.0538   4.2666   13.239   4.3588   28.947   8.6953   39.757   7.2534 -10.81006 11.32348 
1 1 1    1   23    6 o   37.075   5.2802   11.223   2.9854   13.248   4.2458   9.2434   4.1986   39.801   7.0560   32.859   8.1755 6.941505 10.79933 
1 1 1    1   23    7 o   18.212   7.0490   1.8478   2.8680   3.2572   4.0823   0.4744   4.0300   22.450   8.4781   18.688   7.9236 3.762030 11.60439 
1 1 1    1   23    8 o   11.163   5.3484  -3.6420   2.6801  -2.7262   3.8020  -4.5466   3.7787   14.979   6.9169   13.563   6.4573 1.416724 9.462593 
1 1 1    1   23    9 o   38.893   4.7999   12.308   2.8676   12.980   4.0626   11.641   4.0481   39.285   6.8382   37.020   7.2274 2.264778 9.949705 
1 1 1    1   23   10 f   19.387   7.0870   2.6355   2.8092   5.4815   3.9843  -0.1775   3.9613   25.710   8.4965   17.660   7.6753 8.050171 11.44992 
1 1 1    1   23   11 o   25.553   6.7893   5.6070   2.7685   5.4739   3.8510   5.7493   3.9829   25.508   8.3493   26.059   8.4886 -0.5509930 11.90664 
1 1 1    1   23   12 o   15.965   6.5450   0.9428   2.6173   1.2465   3.6485   0.6208   3.7567   18.538   7.6764   17.972   7.6362 0.5661354 10.82764 
1 1 1    1   23   13 o   17.224   6.7171   1.7388   2.6196   1.3932   3.6567   2.1031   3.7546   18.638   7.6983   19.757   7.9336 -1.119207 11.05466 
1 1 1    1   23   14 o   18.331   6.9857   2.2483   2.7867  -0.9079   3.8774   5.6204   4.0079   16.395   7.3364   25.351   8.5250 -8.956083 11.24715 
1 1 1    1   23   15 o   10.982   5.3428  -4.7088   2.9380  -9.1936   4.1465  -0.1874   4.1634   11.721   5.8236   17.560   7.7433 -5.838970 9.688810 
1 1 1    1   23   16 o   16.164   6.8718   0.6382   3.0452   2.8372   4.3421  -1.4904   4.2720   21.107   8.5121   16.468   7.5020 4.639334 11.34617 
1 1 1    1   23   17 o   21.986   7.3892   4.2673   3.0111   4.3644   4.2639   4.1707   4.2528   22.876   8.6588   22.589   8.6246 0.2865448 12.22126 
1 1 1    1   23   18 o   12.046   5.6713  -2.3748   2.7637  -2.9690   3.8981  -1.7742   3.9190   14.287   6.7292   15.246   7.0337 -0.9591694 9.734216 
1 1 1    1   23   19 o   16.509   6.6504   1.6815   2.6473   6.0250   3.7560  -2.6063   3.7318   24.716   8.2519   14.031   6.6011 10.68550 10.56732 
1 1 1    1   23   20 o   17.231   6.7702   2.2834   2.6777   3.5953   3.7745   0.9544   3.7992   20.196   8.0059   16.973   7.4437 3.222612 10.93175 
1 1 1    1   23   21 o   10.954   5.2817  -3.0145   2.7106  -4.8588   3.7368  -0.9663   3.9379   12.098   5.9164   14.967   6.9556 -2.868897 9.131465 
1 1 1    1   23   22 o   20.246   7.0849   4.4141   2.7757   5.6511   3.9460   3.2025   3.9052   21.669   8.2991   18.427   7.8057 3.242121 11.39316 
1 1 1    1   23   23 o   17.551   6.8749   3.1777   2.7541   3.1143   3.8885   3.2415   3.9012   17.801   7.6704   17.948   7.7076 -0.1467819 10.87386 
1 1 1    1   23   24 o   13.365   6.1426   0.0068   2.9495  -1.4362   4.1965   1.4154   4.1463   13.975   6.6947   15.941   7.3106 -1.966464 9.912866 
1 1 1    1   23   25 o   10.219   5.0359  -3.5934   2.8767  -2.1008   4.0466  -5.1184   4.0903   12.823   6.2456   11.502   5.7265 1.320243 8.473535 
1 1 1    1   23   26 o   13.497   6.0185   1.7095   2.5858   3.4884   3.6230  -0.1377   3.6917   15.505   7.0017   12.760   6.1552 2.745407 9.322527 
1 1 1    1   24    0 o   14.435   8.9680   1.2710   4.0778   1.2710   4.0778   1.2710   4.0778   14.435   8.9680   14.435   8.9680 -0.000000 0.000000 
1 1 1    1   24    1 o   18.528   7.1125   1.9983   2.9028   1.5948   4.0503   2.4245   4.1623   20.084   8.1766   21.376   8.4280 -1.292179 11.74255 
1 1 1    1   24    2 o   30.224   6.4309   7.6793   2.9565   7.1707   4.1496   8.2037   4.2133   29.015   8.5410   30.889   8.4494 -1.874062 12.01419 
1 1 1    1   24    3 o   31.930   6.2205   8.5267   3.0049   5.5736   4.2745   11.412   4.2250   26.273   8.8036   36.622   7.6006 -10.34916 11.63070 
1 1 1    1   24    4 o   30.813   6.2929   7.9732   2.9399   10.831   4.1509   5.0965   4.1645   35.606   7.6563   25.362   8.6881 10.24375 11.58024 
1 1 1    1   24    5 o   16.013   7.0034  -0.4572   3.3424  -0.6445   4.6826  -0.2626   4.7725   18.768   8.2463   19.310   8.4082 -0.5420914 11.77709 
1 1 1    1   24    6 o   21.671   7.7535   3.4713   3.3396  -1.0691   4.7045   8.0835   4.7416   18.377   8.1610   30.495   9.1679 -12.11827 12.27407 
1 1 1    1   24    7 o   33.360   6.7146   9.4531   3.3934   6.6889   4.8188   12.173   4.7795   28.145   9.3455   37.326   8.3669 -9.181002 12.54369 
1 1 1    1   24    8 f   28.485   7.2551   7.0183   3.2515   5.3882   4.6184   8.6203   4.5786   25.894   9.1327   31.198   8.9101 -5.304142 12.75913 
1 1 1    1   24    9 o   20.838   7.4546   3.2757   3.0870   6.0250   4.3856   0.5760   4.3460   26.640   8.9173   19.110   8.1693 7.529732 12.09360 
1 1 1    1   24   10 o   19.054   7.1359   2.4901   2.8790   5.9671   4.1180  -0.8340   4.0265   26.283   8.6357   16.941   7.5350 9.342415 11.46083 
1 1 1    1   24   11 o   14.998   6.4275   0.1921   2.7025   2.7334   3.8066  -2.3905   3.8373   20.707   8.0909   15.056   6.9510 5.651251 10.66673 
1 1 1    1   24   12 o   16.900   6.7633   1.4786   2.7190   3.2523   3.8194  -0.3439   3.8716   21.375   8.1703   16.941   7.4690 4.433256 11.06977 
1 1 1    1   24   13 o   20.943   6.9496   3.7054   2.6648   3.3505   3.7920   4.0516   3.7457   21.355   8.1462   22.410   8.1848 -1.055281 11.54778 
1 1 1    1   24   14 o   13.733   6.1160  -0.5890   2.6614  -3.0451   3.7552   1.8896   3.7724   14.148   6.6453   19.134   7.8523 -4.986242 10.28686 
1 1 1    1   24   15 o   19.236   6.9542   2.9572   2.6946  -0.2022   3.7894   6.1886   3.8323   16.613   7.3538   25.765   8.3215 -9.151936 11.10518 
1 1 1    1   24   16 o   29.730   6.1725   7.8653   2.7855   6.2943   3.9188   9.4694   3.9601   25.719   8.4227   31.550   7.9909 -5.830585 11.61022 
1 1 1    1   24   17 o   18.067   6.8543   2.5028   2.6755   1.1801   3.7829   3.8266   3.7846   17.764   7.6086   21.287   8.1339 -3.522739 11.13781 
1 1 1    1   24   18 o   13.220   5.9647  -0.6324   2.6226  -1.7065   3.6993   0.4529   3.7187   14.581   6.7643   16.616   7.3231 -2.035506 9.969116 
1 1 1    1   24   19 o   15.836   6.5381   1.5367   2.6359   4.3975   3.7100  -1.3793   3.7456   21.122   8.0576   14.587   6.7807 6.534670 10.53104 
1 1 1    1   24   20 o   13.766   6.1171   0.2305   2.6475   1.6236   3.7377  -1.1723   3.7505   16.950   7.4096   14.399   6.7238 2.550600 10.00561 
1 1 1    1   24   21 o   21.755   6.9645   5.1586   2.6884   8.1048   3.7622   2.0843   3.8431   25.781   8.2372   17.017   7.4740 8.764385 11.12261 
1 1 1    1   24   22 o   9.5344   4.7068  -4.1343   2.5508  -0.8179   3.5679  -7.6017   3.6483   13.749   6.4641   10.300   5.1693 3.448833 8.276884 
1 1 1    1   24   23 o   19.150   6.9332   4.2673   2.6796   2.4904   3.9834   5.7358   3.6214   16.708   7.4591   20.758   7.9504 -4.049223 10.90166 
1 1 1    1   24   24 o   10.469   5.0835  -2.3267   2.6248  -2.0010   3.7034  -2.6555   3.7208   12.425   6.0343   12.090   5.9105 0.3347912 8.446703 
1 1 1    1   24   25 o   10.117   4.9611  -2.3725   2.6817   1.3126   3.7119  -6.3956   3.8784   13.700   6.4869   10.205   5.1482 3.494944 8.281562 
1 1 1    1   25    0 o   14.691   9.1746   1.3034   4.3240   1.3034   4.3240   1.3034   4.3240   14.691   9.1746   14.691   9.1746 0.000000 0.000000 
1 1 1    1   25    1 o   18.968   7.5985   1.7418   3.4355  -4.9726   4.8874   8.2997   4.8301   15.766   7.4588   30.715   9.2574 -14.94941 11.88839 
1 1 1    1   25    2 o   52.932   4.4470   22.635   3.6598   23.084   5.1475   22.176   5.2045   52.694   6.3530   51.529   6.5864 1.164867 9.151021 
1 1 1    1   25    3 o   33.893   6.8336   9.8090   3.5090   8.3021   4.9370   11.348   4.9884   30.655   9.3840   35.706   8.9271 -5.050396 12.95197 
1 1 1    1   25    4 o   16.189   7.0885  -0.3885   3.4331   1.9391   4.9433  -2.5573   4.7716   21.685   8.9532   17.142   7.8542 4.543705 11.91002 
1 1 1    1   25    5 o   40.964   5.8389   13.985   3.6474   11.830   4.8626   16.758   5.5152   36.452   8.6342   43.710   8.3446 -7.257595 12.00755 
1 1 1    1   25    6 o   25.559   7.5899   5.6585   3.2651   8.6641   4.6187   2.6558   4.6165   31.055   8.9741   21.926   8.7998 9.128984 12.56865 
1 1 1    1   25    7 o   30.606   6.8708   8.1366   3.2189   13.984   4.5789   2.4238   4.5260   40.022   7.5676   21.421   8.6720 18.60067 11.50965 
1 1 1    1   25    8 o   13.947   6.3340  -1.3965   3.0157   6.6068   4.4363  -8.2721   4.1119   27.321   8.9624   12.130   5.9859 15.19113 10.77758 
1 1 1    1   25    9 o   12.206   5.7714  -2.9901   2.9189  -3.4630   4.0575  -2.4830   4.2020   14.697   6.9048   15.753   7.2731 -1.055358 10.02868 
1 1 1    1   25   10 o   23.946   7.3308   5.0434   3.0128   9.2838   4.2832   0.8910   4.2386   31.740   8.4500   18.900   8.0733 12.83983 11.68679 
1 1 1    1   25   11 o   19.155   7.0698   2.7518   2.8064   1.5654   3.9596   3.9494   3.9782   19.110   7.9621   22.410   8.3893 -3.300655 11.56611 
1 1 1    1   25   12 o   19.894   7.1085   3.1882   2.8061  -0.9232   3.9598   7.3360   3.9772   16.349   7.3570   28.006   8.3913 -11.65680 11.15966 
1 1 1    1   25   13 f   8.9875   4.5114  -7.6804   2.7852  -8.0543   3.9651  -7.3163   3.9130   11.704   5.7944   11.921   5.8743 -0.2162285 8.251229 
1 1 1    1   25   14 f   16.553   6.7391   1.4304   2.7513   3.3214   3.9080  -0.4280   3.8741   20.965   8.1962   16.448   7.3485 4.517168 11.00809 
1 1 1    1   25   15 o   14.399   6.3338  -0.0738   2.7694  -1.9706   3.9196   1.8169   3.9134   15.049   6.9751   18.788   7.8779 -3.738164 10.52203 
1 1 1    1   25   16 f   20.137   7.1919   3.5898   2.8720   6.5814   4.1952   0.9513   3.9399   25.525   8.7207   17.604   7.6528 7.920767 11.60246 
1 1 1    1   25   17 o   15.845   6.7616   1.0213   2.9677  -0.9445   4.1572   3.0642   4.2380   15.878   7.2959   19.990   8.2751 -4.111811 11.03208 
1 1 1    1   25   18 o   12.585   5.9045  -1.7189   2.9496  -6.7658   4.1078   3.6529   4.2380   11.972   5.9218   20.001   8.2770 -8.028911 10.17722 
1 1 1    1   25   19 o   12.711   6.0578  -2.2944   3.3421  -5.9258   4.3364   3.0190   5.2453   12.499   6.1641   19.171   8.5589 -6.672059 10.54758 
1 1 1    1   25   20 o   18.594   7.0755   3.6991   2.8562   6.8784   4.0300   0.4905   4.0486   22.989   8.4743   15.580   7.1740 7.409148 11.10312 
1 1 1    1   25   21 o   12.487   5.7790  -0.4990   2.6760   2.7083   3.8452  -3.5111   3.7264   17.100   7.4943   12.201   5.9538 4.899215 9.571440 
1 1 1    1   25   22 o   12.078   5.6168  -0.5543   2.5744  -2.1457   3.6217   1.0712   3.6602   12.626   6.0922   15.049   6.8892 -2.422865 9.196514 
1 1 1    1   25   23 o   8.7719   4.4033  -5.5128   2.6539  -6.4541   3.9596  -4.7450   3.5760   10.722   5.3816   10.803   5.3744 -0.8092403E-01 7.605588 
1 1 1    1   25   24 o   10.731   5.1409  -0.9033   2.4750  -2.3718   3.4902   0.5821   3.5101   11.238   5.5399   12.978   6.1915 -1.739792 8.308158 
1 1 1    1   26    0 o   18.684   10.026   4.3021   4.0419   4.3021   4.0419   4.3021   4.0419   18.684   10.026   18.684   10.026 -0.000000 0.000000 
1 1 1    1   26    1 o   23.659   7.0233   4.8322   2.7962   1.8423   3.9066   7.9735   4.0042   19.688   8.0246   29.817   8.2691 -10.12888 11.52269 
1 1 1    1   26    2 o   17.499   6.9380   1.6526   2.8351   5.5594   3.9549  -2.4777   4.0664   25.420   8.4672   15.529   7.1645 9.891110 11.09160 
1 1 1    1   26    3 o   24.869   7.0311   5.3997   2.8656   1.5755   4.0012   9.4267   4.1059   19.465   8.0476   32.394   8.0991 -12.92846 11.41746 
1 1 1    1   26    4 o   29.264   6.6102   7.4579   2.9637   5.9307   4.3458   8.7859   4.0523   26.114   8.8767   31.184   8.1805 -5.069401 12.07130 
1 1 1    1   26    5 o   17.898   7.3919   1.2880   3.3711  -2.2854   4.8760   4.5598   4.6658   17.271   7.9234   24.175   9.0780 -6.903847 12.04948 
1 1 1    1   26    6 o   34.618   5.6354   10.156   2.9563   12.086   4.1763   8.2189   4.1853   36.894   7.4697   29.926   8.5097 6.968784 11.32306 
1 1 1    1   26    7 o   21.437   7.2655   3.8506   2.9112   5.5375   4.1448   2.2081   4.0898   25.148   8.6656   20.195   8.2184 4.952930 11.94298 
1 1 1    1   26    8 o   23.395   7.6146   4.8041   3.2053   5.5841   4.4501   3.9631   4.6206   25.240   8.9588   23.031   8.9381 2.209118 12.65505 
1 1 1    1   26    9 o   18.543   7.3931   2.0571   3.2368  -0.2880   4.6577   4.2474   4.5013   18.254   8.1126   23.183   8.8676 -4.928274 12.01869 
1 1 1    1   26   10 o   14.540   6.6613  -1.6057   3.4311   0.1080   5.1503  -2.9731   4.6006   19.308   8.5585   15.932   7.4418 3.376036 11.34144 
1 1 1    1   26   11 o   13.575   6.3057  -2.0873   3.2304  -3.3552   4.6194  -0.8737   4.5192   15.617   7.3464   17.301   7.8155 -1.683904 10.72624 
1 1 1    1   26   12 o   12.004   5.7485  -3.5684   3.0874  -6.9339   4.2560   0.1702   4.4857   12.777   6.2620   18.062   7.9976 -5.284803 10.15748 
1 1 1    1   26   13 o   12.613   5.8815  -1.9707   2.8533  -2.3331   4.0184  -1.6021   4.0522   14.965   6.9787   15.606   7.1827 -0.6409073 10.01462 
1 1 1    1   26   14 o   12.008   5.6666  -2.3760   2.7881  -5.3501   3.9815   0.4855   3.9054   12.827   6.2359   17.077   7.5163 -4.250314 9.766349 
1 1 1    1   26   15 o   34.375   5.6109   10.558   2.9225   4.3672   4.0773   17.100   4.1911   21.732   8.4065   43.185   6.3756 -21.45396 10.55072 
1 1 1    1   26   16 o   15.651   6.6633   1.1753   2.8703   2.2186   3.9142  -0.0384   4.2218   18.283   7.7825   16.425   7.4729 1.858532 10.78940 
1 1 1    1   26   17 o   16.609   6.8725   2.0509   2.9215   5.5244   4.1251  -1.4447   4.1382   22.052   8.4754   14.820   6.9659 7.231980 10.97069 
1 1 1    1   26   18 o   16.529   6.8392   2.2794   2.8931  -2.4336   4.0803   7.0445   4.1028   13.735   6.5855   23.550   8.5715 -9.815713 10.80920 
1 1 1    1   26   19 o   23.609   8.0466   7.0511   3.5713   12.602   5.6922   3.4475   4.5864   27.723   10.095   18.305   8.0972 9.417402 12.94133 
1 1 1    1   26   20 o   9.6185   4.8181  -6.3632   3.0976  -6.3636   4.3401  -6.3627   4.4222   11.801   5.8790   11.922   5.9385 -0.1210918 8.356329 
1 1 1    1   26   21 o   11.591   5.5945  -2.1773   3.0597  -5.5083   4.2987   1.2434   4.3561   11.869   5.9027   15.554   7.2576 -3.685200 9.354892 
1 1 1    1   26   22 o   10.466   5.1461  -3.0691   2.9495  -4.2352   4.1883  -1.9217   4.1543   11.722   5.8291   12.708   6.2195 -0.9857178 8.524105 
1 1 1    1   26   23 o   10.782   5.3362  -2.7594   3.3539  -4.9087   4.9943  -0.9939   4.5265   11.661   5.8777   12.669   6.2573 -1.008642 8.584956 
1 1 1    1   27    0 o   15.928   10.196   1.3045   5.7282   1.3045   5.7282   1.3045   5.7282   15.928   10.196   15.928   10.196 0.000000 0.000000 
1 1 1    1   27    1 o   23.533   8.4881   4.6384   4.0115   9.3673   5.6514  -0.1637   5.6950   31.091   10.110   20.142   8.9600 10.94853 13.50930 
1 1 1    1   27    2 o   14.050   6.6667  -3.9168   3.9604   2.6362   5.5983 -10.4820   5.6035   22.544   9.4356   14.130   6.9754 8.414475 11.73407 
1 1 1    1   27    3 o   13.673   6.5330  -4.4010   3.9400 -12.8882   5.5403   4.2835   5.6044   13.154   6.5671   24.283   9.7127 -11.12880 11.72445 
1 1 1    1   27    4 o   26.088   7.1743   6.1338   3.0284   3.6071   4.2824   8.6615   4.2832   22.131   8.6003   30.338   8.6025 -8.207010 12.16423 
1 1 1    1   27    5 o   15.908   6.9849  -0.1203   3.3542  -7.9619   5.6460   4.1570   4.1699   15.176   7.3886   22.753   8.5738 -7.576901 11.31818 
1 1 1    1   27    6 o   11.905   5.6420  -2.8703   2.8197  -5.8475   3.9828   0.1212   3.9924   12.851   6.2450   17.396   7.6298 -4.544863 9.859732 
1 1 1    1   27    7 o   12.010   5.6994  -2.9724   2.8955  -7.1090   4.1744   0.8634   4.0197   12.604   6.1824   18.181   7.8161 -5.577003 9.965622 
1 1 1    1   27    8 o   16.662   6.9003   1.2296   2.9485   3.1081   4.2313  -0.5434   4.1108   21.092   8.4384   16.840   7.5432 4.252333 11.31846 
1 1 1    1   27    9 o   13.932   6.2608  -0.7260   2.8570  -0.0928   4.0596  -1.3473   4.0215   17.097   7.5874   15.880   7.2512 1.217199 10.49511 
1 1 1    1   27   10 f   13.615   6.2603  -1.4940   3.0680  -3.7168   4.7282   0.1224   4.0320   15.430   7.3106   17.170   7.5937 -1.740426 10.54079 
1 1 1    1   27   11 o   31.228   6.3047   8.8202   2.9832   3.6168   4.2598   13.828   4.1790   21.348   8.4913   38.619   7.1591 -17.27104 11.10648 
1 1 1    1   27   12 o   17.353   6.9304   2.0366   2.8490   4.1769   4.0713  -0.0170   3.9880   21.735   8.4024   16.669   7.4509 5.066362 11.23014 
1 1 1    1   27   13 o   21.038   7.2413   4.1741   2.8940   0.0925   4.0913   8.2611   4.0940   16.743   7.5106   28.057   8.5370 -11.31417 11.37056 
1 1 1    1   27   14 o   18.549   7.0995   3.0237   2.8864   3.0913   4.0359   2.9529   4.1296   19.491   8.0726   19.395   8.1098 0.9590530E-01 11.44268 
1 1 1    1   27   15 o   15.839   6.6615   1.5718   2.8113   0.5113   3.9540   2.6560   3.9979   16.184   7.3107   18.419   7.8536 -2.235420 10.72966 
1 1 1    1   27   16 o   17.935   6.8995   3.1495   2.7355   5.4419   3.8163   0.7270   3.9231   21.510   8.1802   15.952   7.2365 5.557548 10.92164 
1 1 1    1   27   17 o   12.005   5.6554  -1.3454   2.7548   0.9013   3.8626  -3.6710   3.9299   15.655   7.1325   12.603   6.1423 3.052054 9.412794 
1 1 1    1   27   18 o   34.079   5.6252   11.501   2.9035   11.502   3.9386   11.501   4.2970   30.488   8.0966   29.272   8.7105 1.216192 11.89237 
1 1 1    1   27   19 o   10.772   5.2599  -3.1854   2.9219  -2.4936   3.8497  -4.1254   4.4875   12.758   6.1860   12.812   6.3091 -0.5341911E-01 8.835774 
1 1 1    1   27   20 o   9.2643   4.5997  -4.2522   2.5672  -1.1058   3.6347  -7.3843   3.6264   13.007   6.2311   10.016   5.0437 2.991103 8.016580 
1 1 1    1   27   21 o   15.265   6.4316   2.8644   2.6281   2.8996   3.7033   2.8287   3.7301   15.276   6.9689   15.215   6.9612 0.6086159E-01 9.850121 
1 1 1    1   27   22 f   11.447   5.4259   0.0189   2.6096   1.2678   3.6910  -1.2294   3.6901   13.173   6.3021   11.745   5.7716 1.427732 8.545629 
1 1 1    1   28    0 f   23.620   10.470   6.9821   4.0922   6.9821   4.0922   6.9821   4.0922   23.620   10.470   23.620   10.470 0.000000 0.000000 
1 1 1    1   28    1 o   23.165   7.7411   4.8360   3.3052   4.9114   4.6504   4.7589   4.6986   23.887   9.0424   23.707   9.0619 0.1796188 12.80172 
1 1 1    1   28    2 o   37.200   5.2850   11.814   2.9986   10.659   4.2451   12.964   4.2361   33.538   8.1474   37.611   7.4407 -4.072720 11.03372 
1 1 1    1   28    3 o   14.154   6.3670  -0.7823   2.9631  -3.9683   4.2830   2.1426   4.1037   14.509   6.8984   19.667   8.1424 -5.158530 10.67178 
1 1 1    1   28    4 o   12.609   5.8992  -2.2211   2.9101  -4.8909   4.2040   0.2352   4.0324   13.757   6.6191   17.384   7.6448 -3.626576 10.11214 
1 1 1    1   28    5 o   22.718   7.6769   4.6863   3.2500   3.4090   4.3786   6.2534   4.8499   21.466   8.5853   25.620   9.3200 -4.154034 12.67165 
1 1 1    1   28    6 o   15.046   6.5592   0.1639   2.9114   1.0854   4.1710  -0.7117   4.0657   18.398   7.9360   16.449   7.4236 1.948641 10.86687 
1 1 1    1   28    7 o   11.227   5.4179  -3.7732   2.8667  -3.7415   4.1217  -3.8028   3.9899   14.184   6.7507   13.870   6.6127 0.3137178 9.449820 
1 1 1    1   28    8 o   14.155   6.3478  -0.5298   2.9200  -0.7298   4.1414  -0.3322   4.1178   16.414   7.4417   16.729   7.5171 -0.3143616 10.57761 
1 1 1    1   28    9 o   13.638   6.2122  -0.9670   2.9286  -0.2062   4.1572  -1.7164   4.1263   16.778   7.5449   15.454   7.1606 1.323368 10.40190 
1 1 1    1   28   10 o   24.857   7.5852   6.0957   3.2290   8.2738   4.8870   4.4082   4.3016   27.532   9.4122   21.970   8.5961 5.562052 12.74688 
1 1 1    1   28   11 o   12.657   5.9634  -2.2069   3.0653  -3.1220   4.2475  -1.2123   4.4282   14.417   6.8592   16.051   7.4305 -1.633891 10.11245 
1 1 1    1   28   12 o   17.872   7.2726   2.5011   3.2023   3.4372   4.5627   1.5924   4.4956   20.083   8.4687   18.146   8.0220 1.937012 11.66493 
1 1 1    1   28   13 o   25.691   7.7158   7.2256   3.3597   5.9868   4.9751   8.2642   4.5554   22.455   9.0914   25.824   9.0733 -3.369291 12.84439 
1 1 1    1   28   14 o   15.149   6.7688   0.7352   3.2880   1.5328   4.7244  -0.0141   4.5788   17.405   7.9134   16.086   7.4841 1.318268 10.89190 
1 1 1    1   28   15 o   17.775   7.2292   3.2078   3.1621   2.8301   4.4905   3.5793   4.4536   17.891   7.9575   18.593   8.1089 -0.7025890 11.36118 
1 1 1    1   28   16 o   14.484   6.5570   0.7275   3.2009   7.8429   4.5864  -6.0295   4.4694   22.919   8.9021   12.179   6.0504 10.74047 10.76361 
1 1 1    1   28   17 o   15.603   6.8321   1.9742   3.1894  -3.6880   4.4587   7.9077   4.5643   12.992   6.3759   22.495   8.8388 -9.503150 10.89843 
1 1 1    1   28   18 o   13.372   6.2953  -0.3634   3.4041  -1.1290   4.8456   0.3826   4.7832   14.413   6.9766   15.196   7.2434 -0.7833414 10.05683 
1 1 1    1   28   19 f   15.069   6.9367   1.9930   3.7816  -5.2909   5.2570   9.8039   5.4438   12.585   6.3001   21.200   9.1046 -8.615291 11.07185 
1 1 1    1   28   20 o   15.355   6.9115   3.4949   3.4977   6.9127   5.2344   0.7376   4.7015   17.125   7.9789   13.683   6.6796 3.441475 10.40577 
1 1 1    1   28   21 o   10.168   5.0646  -3.1568   3.2145  -6.1150   4.3704   0.3298   4.7447   10.456   5.2971   12.875   6.3675 -2.418289 8.282757 
1 1 1    1   29    0 o   35.903   8.8508   12.727   4.3172   12.727   4.3172   12.727   4.3172   35.903   8.8508   35.903   8.8508 0.000000 0.000000 
1 1 1    1   29    1 o   12.350   5.8242  -2.4687   2.9360  -7.5275   4.2204   2.2756   4.0871   12.305   6.0708   19.434   8.0926 -7.128993 10.11655 
1 1 1    1   29    2 f   12.326   5.8184  -2.5102   2.9432  -1.9865   4.1826  -3.0238   4.1422   15.447   7.1752   14.620   6.9017 0.8267784 9.955746 
1 1 1    1   29    3 o   11.495   5.5448  -3.7883   2.9949  -5.2865   4.3923  -2.4865   4.0944   13.713   6.6390   14.875   6.9718 -1.162436 9.627101 
1 1 1    1   29    4 o   22.537   7.4179   4.8055   3.0380   6.6060   4.3333   3.0651   4.2603   25.505   8.8570   20.429   8.3599 5.075390 12.17921 
1 1 1    1   29    5 o   12.708   5.9523  -2.0612   2.9771  -2.7184   4.1968  -1.3956   4.2239   14.809   6.9776   15.835   7.3044 -1.025845 10.10153 
1 1 1    1   29    6 o   27.592   6.9725   7.2882   3.0199   2.3611   4.3019   12.075   4.2403   19.437   8.2111   34.904   7.9233 -15.46681 11.41054 
1 1 1    1   29    7 o   14.681   6.4933   0.0886   2.9489   1.1888   4.2030  -0.9782   4.1385   17.921   7.8451   15.851   7.2819 2.070142 10.70380 
1 1 1    1   29    8 o   22.407   7.3630   4.9780   2.9937   4.0387   4.2650   5.8902   4.2032   21.050   8.4546   23.652   8.6652 -2.602346 12.10645 
1 1 1    1   29    9 o   15.655   6.7253   1.0768   2.9721   1.6413   4.2068   0.5143   4.1996   17.923   7.8474   16.839   7.5770 1.084150 10.90837 
1 1 1    1   29   10 o   14.355   6.6096  -0.6809   3.4361  -2.4848   4.8824   1.0893   4.8366   15.317   7.3058   17.719   8.0369 -2.402408 10.86123 
1 1 1    1   29   11 o   12.167   5.8558  -2.9789   3.2957  -2.2494   4.6112  -3.7408   4.7122   14.831   7.0813   14.149   6.8565 0.6818237 9.856812 
1 1 1    1   29   12 o   13.344   6.2436  -1.0444   3.2612  -3.9294   4.5932   1.8885   4.6312   13.636   6.6445   17.434   7.8903 -3.798371 10.31530 
1 1 1    1   29   13 o   14.626   6.6232   0.6048   3.2691   7.6484   4.5996  -6.5859   4.6473   23.124   8.9331   12.359   6.1449 10.76486 10.84245 
1 1 1    1   29   14 o   11.125   5.4201  -3.1840   3.0528  -3.6361   4.2745  -2.7134   4.3613   12.904   6.3140   13.485   6.5491 -0.5817690 9.097117 
1 1 1    1   29   15 o   11.343   5.4205  -1.7193   2.7143   0.8009   3.7455  -4.5068   3.9392   14.885   6.8704   11.858   5.8529 3.026814 9.025466 
1 1 1    1   29   16 o   10.360   5.0640  -3.0515   2.7281   0.0807   3.8566  -6.1883   3.8595   14.231   6.6999   10.915   5.4543 3.315382 8.639361 
1 1 1    1   29   17 o   18.611   6.9815   4.4986   2.7581   1.6402   3.8784   7.4231   3.9230   15.034   6.9577   21.474   8.2620 -6.439625 10.80143 
1 1 1    1   29   18 f   9.9274   4.8828  -2.7545   2.6614  -1.4781   3.6882  -4.1414   3.8443   12.102   5.9094   11.054   5.5109 1.048265 8.080305 
1 1 1    1   29   19 f   9.7757   4.8267  -2.5533   2.6860  -3.0072   3.7768  -2.0888   3.8209   10.987   5.4751   11.416   5.6583 -0.4298763 7.873525 
1 1 1    1   30    0 o   11.509   8.0540  -3.5954   5.4227  -3.5954   5.4227  -3.5954   5.4227   11.509   8.0540   11.509   8.0540 -0.000000 0.000000 
1 1 1    1   30    1 o   19.193   7.6665   3.0560   3.4869   3.7490   4.8752   2.3302   4.9892   21.018   8.8016   19.667   8.5797 1.350998 12.29142 
1 1 1    1   30    2 o   16.680   7.2066   1.1938   3.4506   4.7596   4.8380  -2.4983   4.9230   22.087   8.9569   15.828   7.4876 6.258740 11.67434 
1 1 1    1   30    3 o   20.958   7.8384   4.2829   3.4713   10.954   4.9616  -2.1131   4.8582   30.758   9.4059   15.915   7.5011 14.84345 12.03070 
1 1 1    1   30    4 o   15.458   6.8937   0.2955   3.3931   0.8126   4.7910  -0.2247   4.8061   17.848   8.0563   17.046   7.8369 0.8022194 11.23923 
1 1 1    1   30    5 o   23.439   8.0525   5.9570   3.5782   8.9170   5.1473   3.1888   4.9777   26.745   9.6190   19.933   8.6339 6.811464 12.92553 
1 1 1    1   30    6 o   20.553   7.3756   4.3462   3.0244   5.5087   4.3287   3.2374   4.2275   22.142   8.6348   19.277   8.1415 2.864370 11.86776 
1 1 1    1   30    7 o   11.251   5.4512  -3.3877   2.9753  -3.0118   4.1615  -3.7808   4.2554   13.773   6.6162   13.489   6.5316 0.2840939 9.297123 
1 1 1    1   30    8 o   13.581   6.2365  -0.4632   3.0312  -0.8169   4.3077  -0.1163   4.2662   15.251   7.1490   15.714   7.2808 -0.4621296 10.20386 
1 1 1    1   30    9 o   21.019   7.3836   4.9887   3.0166   2.5345   4.3037   7.3590   4.2295   17.758   7.8499   23.734   8.6928 -5.976114 11.71263 
1 1 1    1   30   10 o   10.875   5.3676  -4.8229   3.3116  -3.4828   4.7085  -6.1347   4.6584   13.795   6.7232   12.568   6.2322 1.227151 9.167441 
1 1 1    1   30   11 o   18.353   7.1014   3.7970   2.9102   8.0938   4.0890  -0.6133   4.1427   24.091   8.5839   14.521   6.8691 9.569938 10.99396 
1 1 1    1   30   12 f   14.444   6.3934   1.2102   2.8640  -1.0649   3.9738   3.6692   4.1314   13.837   6.5974   17.862   7.7997 -4.025731 10.21567 
1 1 1    1   30   13 o   10.055   4.9553  -3.8530   2.7860  -7.4127   3.8904  -0.1060   3.9915   10.569   5.3088   14.335   6.7694 -3.766171 8.602818 
1 1 1    1   30   14 o   17.098   6.9030   3.4251   2.8591   4.0794   4.0212   2.7562   4.0659   17.737   7.7207   16.448   7.4234 1.288515 10.71058 
1 1 1    1   30   15 o   9.9672   4.9134  -3.5059   2.7454  -3.0137   3.9085  -3.9852   3.8573   12.117   5.9513   11.595   5.7357 0.5222044 8.265322 
1 1 1    1   30   16 o   11.198   5.3728  -1.0621   2.7259  -1.5426   3.8049  -0.5554   3.9072   12.265   5.9920   12.901   6.2497 -0.6360397 8.658102 
1 1 1    1   30   17 o   13.463   6.0817   1.9813   2.7364   0.7419   3.7871   3.3354   3.9584   12.934   6.2379   14.710   6.8815 -1.775956 9.287960 
1 1 1    1   30   18 o   11.113   5.4487  -1.0070   3.2323  -1.2904   4.6016  -0.7309   4.5415   11.979   5.9811   12.152   6.0475 -0.1736193 8.505647 
1 1 1    1   31    0 o   19.778   10.487   6.3383   4.3762   6.3383   4.3762   6.3383   4.3762   19.778   10.487   19.778   10.487 -0.000000 0.000000 
1 1 1    1   31    1 o   15.998   6.8488   1.7066   3.0625   1.2154   4.2703   2.2268   4.3946   16.742   7.5768   17.757   7.8866 -1.015589 10.93647 
1 1 1    1   31    2 o   15.747   6.7832   1.5589   3.0392  -2.8655   4.3182   5.9020   4.2783   13.881   6.6863   21.848   8.5655 -7.966536 10.86621 
1 1 1    1   31    3 o   14.855   6.5827   0.8545   3.0445  -1.0038   4.3362   2.6613   4.2757   15.000   7.0750   17.948   7.8832 -2.948238 10.59244 
1 1 1    1   31    4 o   13.937   6.3433   0.0586   3.0452   3.6731   4.3105  -3.5428   4.3027   18.867   8.1021   13.362   6.4929 5.504835 10.38280 
1 1 1    1   31    5 o   13.914   6.3283   0.1546   3.0244  -0.7213   4.2068   1.0916   4.3510   14.824   6.9849   16.327   7.4880 -1.502926 10.24008 
1 1 1    1   31    6 o   16.134   6.8236   2.1930   2.9765  -0.9836   4.1899   5.4294   4.2291   14.502   6.8744   20.492   8.3505 -5.989723 10.81612 
1 1 1    1   31    7 f   10.486   5.1646  -4.2297   3.0111  -8.6173   4.2534   0.1786   4.2634   10.947   5.5059   15.233   7.1313 -4.285759 9.009508 
1 1 1    1   31    8 f   23.336   7.6632   6.8474   3.2430   2.1075   4.6057   11.508   4.5670   16.733   7.6854   28.141   9.0838 -11.40762 11.89876 
1 1 1    1   31    9 o   12.815   6.0941  -1.2251   3.3454   3.5063   4.8779  -5.4271   4.5968   17.708   8.0472   12.406   6.1587 5.301886 10.13349 
1 1 1    1   31   10 o   15.555   7.2292   1.3338   4.2545   3.8253   5.8877  -1.3888   6.1546   17.806   8.3501   15.359   7.5283 2.446484 11.24269 
1 1 1    1   31   11 f   14.987   6.8716   1.3353   3.6610   4.6147   5.4479  -1.3653   4.9437   18.074   8.3220   14.324   6.9601 3.749988 10.84889 
1 1 1    1   31   12 o   12.835   6.2658  -2.3551   4.1394  -2.3660   5.8696  -2.3444   5.8384   14.389   7.1103   14.376   7.1013 0.1359844E-01 10.04915 
1 1 1    1   31   13 o   14.743   6.8899   1.5229   3.9508  -2.4248   5.5421   5.6019   5.6335   13.766   6.8215   17.679   8.2504 -3.912138 10.70523 
1 1 1    1   31   14 o   12.572   6.1258  -0.9240   3.9028  -0.4614   5.5327  -1.3823   5.5062   13.815   6.8401   13.472   6.6966 0.3429136 9.572441 
1 1 1    1   31   15 o   11.923   5.8285  -0.7180   3.6155   2.2854   5.0715  -3.8221   5.1558   14.019   6.8636   11.887   5.9892 2.132680 9.109275 
1 1 1    1   31   16 o   10.684   5.2753  -1.7071   3.2087   2.0249   4.5577  -5.3744   4.5181   13.253   6.4923   10.616   5.3786 2.637625 8.430892 
1 1 1    1   32    0 o   9.3754   6.6823  -3.7906   4.3384  -3.7906   4.3384  -3.7906   4.3384   9.3754   6.6823   9.3754   6.6823 -0.000000 0.000000 
1 1 1    1   32    1 o   13.743   6.2900   0.3534   3.0489   0.5353   4.2942   0.1685   4.3296   15.235   7.1403   15.013   7.0776 0.2224617 10.05369 
1 1 1    1   32    2 f   18.713   7.5582   4.3606   3.4294   6.0804   4.8903   2.6965   4.8104   20.054   8.6212   17.100   7.8539 2.954874 11.66228 
1 1 1    1   32    3 o   11.707   5.7204  -3.2938   3.4735  -3.2346   4.9965  -3.3492   4.8323   13.769   6.7556   13.540   6.6436 0.2284594 9.474986 
1 1 1    1   32    4 o   19.948   8.0644   5.5955   3.9079   7.7697   5.1804   2.7243   5.9531   21.320   9.0089   17.306   8.2007 4.014181 12.18238 
1 1 1    1   32    5 o   13.405   6.3215  -0.4864   3.4586   4.3232   4.9969  -4.9092   4.7918   18.108   8.1955   12.737   6.3169 5.371165 10.34742 
1 1 1    1   32    6 o   19.529   7.6683   5.1880   3.4335  -3.4907   4.8002   14.279   4.9130   13.253   6.5261   30.237   9.3800 -16.98387 11.42694 
1 1 1    1   32    7 o   13.902   6.3553   0.7592   3.1004  -1.8533   4.3889   3.3614   4.3803   13.507   6.5618   17.016   7.6900 -3.509589 10.10907 
1 1 1    1   32    8 o   18.474   7.3885   4.5601   3.2427   3.4117   4.5978   5.6966   4.5741   16.928   7.7388   18.969   8.2460 -2.041210 11.30862 
1 1 1    1   32    9 o   15.291   6.6682   2.3289   3.0113   5.6717   4.2384  -1.0784   4.2791   18.870   8.0673   13.567   6.5648 5.303083 10.40083 
1 1 1    1   32   10 o   9.9037   4.9619  -5.6576   3.2925  -6.2171   4.6243  -5.0823   4.6890   11.596   5.8197   12.051   6.0201 -0.4544792 8.373214 
1 1 1    1   32   11 o   16.606   6.8472   3.8593   2.8861   8.2912   4.0240  -0.8357   4.1417   21.078   8.2941   12.965   6.3157 8.113735 10.42494 
1 1 1    1   32   12 o   10.652   5.2097  -1.8256   2.8999  -1.6026   4.0860  -2.0520   4.1162   12.069   5.9578   11.899   5.8929 0.1702318 8.379860 
1 1 1    1   32   13 o   8.9024   4.4733  -4.5176   2.7737  -4.8414   3.8622  -4.1728   3.9859   10.277   5.1787   10.629   5.3438 -0.3523932 7.441402 
1 1 1    1   32   14 o   11.948   5.6615   0.9741   2.8366  -0.1800   3.9728   2.1746   4.0516   11.894   5.8723   13.098   6.3496 -1.203503 8.648719 
1 1 1    1   33    0 o   9.0873   6.5008  -3.7413   4.2556  -3.7413   4.2556  -3.7413   4.2556   9.0873   6.5008   9.0873   6.5008 0.000000 0.000000 
1 1 1    1   33    1 o   11.479   5.5361  -1.8221   2.9824   0.6341   4.2526  -4.1992   4.1837   14.611   6.9258   11.988   5.9379 2.623172 9.122788 
1 1 1    1   33    2 o   9.9688   4.9487  -4.3863   2.9675  -1.3050   4.1752  -7.5318   4.2185   13.352   6.4663   10.801   5.4390 2.551099 8.449601 
1 1 1    1   33    3 o   14.757   6.5421   1.9031   3.0104  -0.0757   4.2681   3.8620   4.2466   14.100   6.7539   17.007   7.6385 -2.906754 10.19619 
1 1 1    1   33    4 o   11.821   5.8114  -3.1053   3.7557  -0.3374   5.9599  -4.9284   4.8369   14.950   7.3439   12.361   6.1659 2.588407 9.589082 
1 1 1    1   33    5 o   14.431   6.4630   1.7595   3.0163   2.7502   4.2745   0.7768   4.2569   15.823   7.3162   14.430   6.8655 1.393436 10.03307 
1 1 1    1   33    6 o   11.710   5.6617  -1.5337   3.1679  -1.1894   4.4410  -1.8903   4.5203   13.299   6.4921   13.037   6.4026 0.2622509 9.118154 
1 1 1    1   33    7 o   11.591   5.6693  -2.0704   3.4347  -5.8873   4.8102   1.9002   4.9060   11.632   5.8511   14.872   7.1544 -3.240067 9.242303 
1 1 1    1   33    8 o   13.647   6.4054   1.4611   3.4774  -3.9217   4.8318   7.2453   5.0087   11.996   6.0104   17.696   8.0851 -5.699703 10.07443 
1 1 1    1   33    9 o   11.445   5.6019  -1.2466   3.3714  -0.7080   4.7819  -1.7790   4.7540   12.736   6.3155   12.320   6.1400 0.4163828 8.808287 
1 1 1    1   33   10 f   12.025   5.9961  -1.3651   4.5568  -1.9464   6.0307  -0.5917   6.9567   12.524   6.3305   13.089   6.6362 -0.5645142 9.171381 
1 1 1    1   33   11 o   10.294   5.1307  -2.5735   3.3235  -4.7694   4.6077  -0.1920   4.7984   10.723   5.4331   12.224   6.1043 -1.500998 8.171976 
1 1 1    1   34    0 o   10.502   7.2825   0.2989   4.1650   0.2989   4.1650   0.2989   4.1650   10.502   7.2825   10.502   7.2825 -0.000000 0.000000 
1 1 1    1   34    1 o   10.787   5.2729  -1.7284   2.9583   0.0722   4.1725  -3.5483   4.1949   12.922   6.3045   11.374   5.6839 1.547856 8.488448 
1 1 1    1   34    2 o   12.211   5.7907   0.4046   2.9793   0.8775   4.2441  -0.0549   4.1834   13.294   6.4572   12.787   6.2545 0.5074730 8.989685 
1 1 1    1   34    3 o   9.5572   4.7802  -4.0879   2.9962  -3.4666   4.2570  -4.6979   4.2179   11.320   5.6670   10.867   5.4677 0.4529037 7.874692 
1 1 1    1   34    4 o   13.052   6.2340   1.4043   3.5799  -0.3906   5.2027   3.0183   4.9335   12.847   6.4061   14.167   6.8994 -1.319524 9.414937 
1 1 1    1   34    5 o   11.742   5.6339   0.2215   2.9971   1.1163   4.2596  -0.6558   4.2179   12.939   6.3251   12.107   5.9908 0.8311558 8.711843 
1 1 1    1   34    6 o   14.148   6.3567   3.1887   2.9436   3.0700   4.2360   3.2995   4.0934   13.741   6.6198   13.898   6.6457 -0.1569204 9.380139 
1 1 1    1   34    7 o   12.093   5.7583   1.1604   3.0066   4.4441   4.0650  -2.8059   4.4675   14.356   6.7949   11.130   5.6035 3.226097 8.807386 
1 1 1    1   34    8 o   9.6750   4.8177  -2.5400   2.9002  -2.7531   4.0585  -2.3177   4.1458   10.733   5.3957   10.943   5.4945 -0.2094908 7.700883 
1 1 1    2    0    0 o  564.928   6.3036  2505.76   55.868  2505.76   55.868  2505.76   55.868  564.928   6.3036  564.928   6.3036 -0.000000 0.000000 
1 1 1    2    0    1 o  684.970   3.7304  3682.46   40.097  3682.46   40.097  3682.46   40.097  684.970   3.7304  684.970   3.7304 0.000000 0.000000 
1 1 1    2    0    2 o  531.751   2.9923  2219.15   24.968  2219.15   24.968  2219.15   24.968  531.751   2.9923  531.751   2.9923 -0.000000 0.000000 
1 1 1    2    0    3 o  614.663   3.3886  2965.22   32.684  2965.22   32.684  2965.22   32.684  614.663   3.3886  614.663   3.3886 -0.000000 0.000000 
1 1 1    2    0    4 o   53.157   1.3516   22.215   1.1258   22.215   1.1258   22.215   1.1258   53.157   1.3516   53.157   1.3516 -0.000000 0.000000 
1 1 1    2    0    5 o  171.633   2.1211  231.260   5.7112  231.260   5.7112  231.260   5.7112  171.633   2.1211  171.633   2.1211 -0.000000 0.000000 
1 1 1    2    0    6 o   83.628   1.3409   54.919   1.7587   54.919   1.7587   54.919   1.7587   83.628   1.3409   83.628   1.3409 -0.000000 0.000000 
1 1 1    2    0    7 o  258.754   2.5448  525.561   10.331  525.561   10.331  525.561   10.331  258.754   2.5448  258.754   2.5448 0.000000 0.000000 
1 1 1    2    0    8 o   65.523   1.8243   33.768   1.8726   33.768   1.8726   33.768   1.8726   65.523   1.8243   65.523   1.8243 0.000000 0.000000 
1 1 1    2    0    9 o  788.552   4.9130  4882.67   60.792  4882.67   60.792  4882.67   60.792  788.552   4.9130  788.552   4.9130 0.000000 0.000000 
1 1 1    2    0   10 o  116.522   2.3169  106.677   4.2328  106.677   4.2328  106.677   4.2328  116.522   2.3169  116.522   2.3169 0.000000 0.000000 
1 1 1    2    0   11 o  255.602   2.0835  512.789   8.3558  512.789   8.3558  512.789   8.3558  255.602   2.0835  255.602   2.0835 0.000000 0.000000 
1 1 1    2    0   12 o  121.561   1.5332  116.008   2.9237  116.008   2.9237  116.008   2.9237  121.561   1.5332  121.561   1.5332 0.000000 0.000000 
1 1 1    2    0   13 o  349.528   2.3464  958.823   12.869  958.823   12.869  958.823   12.869  349.528   2.3464  349.528   2.3464 0.000000 0.000000 
1 1 1    2    0   14 o  179.541   3.2631  253.223   9.1870  253.223   9.1870  253.223   9.1870  179.541   3.2631  179.541   3.2631 0.000000 0.000000 
1 1 1    2    0   15 o  433.828   4.2046  1477.66   28.619  1477.66   28.619  1477.66   28.619  433.828   4.2046  433.828   4.2046 0.000000 0.000000 
1 1 1    2    0   16 o   97.884   2.2568   75.308   3.4625   75.308   3.4625   75.308   3.4625   97.884   2.2568   97.884   2.2568 0.000000 0.000000 
1 1 1    2    0   17 o   45.652   3.0821   16.580   2.1846   16.580   2.1846   16.580   2.1846   45.652   3.0821   45.652   3.0821 0.000000 0.000000 
1 1 1    2    0   18 o   65.134   2.5008   33.445   2.5476   33.445   2.5476   33.445   2.5476   65.134   2.5008   65.134   2.5008 0.000000 0.000000 
1 1 1    2    0   19 o  215.205   2.4251  363.709   8.1879  363.709   8.1879  363.709   8.1879  215.205   2.4251  215.205   2.4251 0.000000 0.000000 
1 1 1    2    0   20 o  114.694   2.1826  103.391   3.9253  103.391   3.9253  103.391   3.9253  114.694   2.1826  114.694   2.1826 0.000000 0.000000 
1 1 1    2    0   21 f   84.956   2.2573   56.797   3.0047   56.797   3.0047   56.797   3.0047   84.956   2.2573   84.956   2.2573 0.000000 0.000000 
1 1 1    2    0   22 o  220.206   2.4523  381.091   8.4719  381.091   8.4719  381.091   8.4719  220.206   2.4523  220.206   2.4523 0.000000 0.000000 
1 1 1    2    0   24 f  126.578   2.9648  126.277   5.8819  126.277   5.8819  126.277   5.8819  126.578   2.9648  126.578   2.9648 0.000000 0.000000 
1 1 1    2    0   25 f   27.362   4.4504   6.3627   1.7593   6.3627   1.7593   6.3627   1.7593   27.362   4.4504   27.362   4.4504 0.000000 0.000000 
1 1 1    2    0   26 o   9.0582   5.6477   0.4296   1.6318   0.4296   1.6318   0.4296   1.6318   9.0582   5.6477   9.0582   5.6477 0.000000 0.000000 
1 1 1    2    1    0 o  760.819   4.1044  4543.33   49.002  4543.33   49.002  4543.33   49.002  760.819   4.1044  760.819   4.1044 0.000000 0.000000 
1 1 1    2    1    1 o  219.088   1.1658  376.642   4.0082  383.381   5.7272  370.172   5.6115  221.035   1.6511  217.194   1.6464 3.841232 2.331659 
1 1 1    2    1    2 o  127.525   1.1279  127.609   2.2573  129.504   3.2069  125.749   3.1779  128.466   1.5907  126.590   1.5997 1.876488 2.255953 
1 1 1    2    1    3 o  514.766   2.0601  2079.44   16.642  2067.98   23.405  2091.16   23.669  513.317   2.9054  516.186   2.9219 -2.868835 4.120545 
1 1 1    2    1    4 o  518.418   2.0733  2109.05   16.868  2129.67   24.084  2089.20   23.632  520.916   2.9461  515.944   2.9187 4.971375 4.147073 
1 1 1    2    1    5 o  240.021   1.5467  452.066   5.8258  451.845   9.1972  452.214   7.5287  239.951   2.4425  240.055   1.9985 -0.1043396 3.155892 
1 1 1    2    1    6 o  362.741   1.6267  1032.53   9.2599  1034.56   12.696  1030.22   13.536  363.086   2.2281  362.320   2.3806 0.7655945 3.260613 
1 1 1    2    1    7 o  695.038   2.8637  3791.49   31.235  3817.55   44.479  3766.13   43.874  697.329   4.0645  692.619   4.0365 4.710449 5.728308 
1 1 1    2    1    8 o  226.737   1.6019  403.428   5.6998  399.852   8.4843  406.370   7.6950  225.715   2.3952  227.553   2.1549 -1.837021 3.221877 
1 1 1    2    1    9 o  289.796   1.5165  659.041   6.8969  672.955   10.311  647.776   9.2779  292.818   2.2439  287.294   2.0579 5.524292 3.044635 
1 1 1    2    1   10 o  344.551   1.5747  931.631   8.5142  909.532   12.225  952.445   11.865  340.414   2.2885  348.357   2.1703 -7.943085 3.153946 
1 1 1    2    1   11 o  258.599   1.5519  524.788   6.2978  526.104   8.5565  523.233   9.3031  258.910   2.1059  258.197   2.2960 0.7127991 3.115513 
1 1 1    2    1   12 o  610.795   2.7663  2928.20   26.516  2891.71   37.003  2966.72   38.015  606.887   3.8853  614.703   3.9408 -7.816223 5.534019 
1 1 1    2    1   13 o  379.906   1.8961  1132.61   11.304  1149.70   16.188  1116.34   15.793  382.738   2.6951  377.147   2.6683 5.591400 3.792550 
1 1 1    2    1   14 o  454.749   2.1699  1622.87   15.485  1600.45   21.608  1646.54   22.202  451.564   3.0493  458.019   3.0889 -6.454926 4.340407 
1 1 1    2    1   15 f  447.522   2.1457  1571.74   15.069  1553.98   21.092  1590.26   21.537  444.950   3.0207  450.112   3.0491 -5.162537 4.292001 
1 1 1    2    1   16 o  226.473   1.6410  402.501   5.8321  402.523   7.7849  402.473   8.8047  226.468   2.1905  226.447   2.4777 0.2127075E-01 3.307116 
1 1 1    2    1   17 o  173.738   1.4204  236.876   3.8727  233.739   5.4386  240.104   5.5159  172.573   2.0082  174.907   2.0096 -2.333649 2.840994 
1 1 1    2    1   18 o  220.486   1.7320  381.562   5.9929  381.435   8.4836  381.689   8.4670  220.417   2.4526  220.490   2.4470 -0.7368469E-01 3.464546 
1 1 1    2    1   19 o  199.316   1.6703  311.860   5.2244  314.263   7.4310  309.510   7.3467  200.036   2.3672  198.519   2.3582 1.517792 3.341361 
1 1 1    2    1   20 o  105.249   1.6641   86.977   2.7485   86.769   4.2201   87.130   3.6220  105.075   2.5593  105.315   2.1916 -0.2401733 3.369410 
1 1 1    2    1   21 o  156.444   1.5856  192.193   3.8927  189.762   5.5134  194.610   5.4969  155.388   2.2610  157.365   2.2259 -1.976410 3.172775 
1 1 1    2    1   22 o   12.564   4.6914   0.9440   1.2425  -0.4960   1.8566   2.1120   1.6721   11.787   5.1853   16.682   5.5038 -4.895369 7.561669 
1 1 1    2    1   23 o   84.590   3.2939   56.546   4.3642   56.546   4.3642   0.0000   0.0000   84.590   3.2939  ?   ?  0.000000 3.293909 
1 1 1    2    1   24 o   92.601   1.5500   67.388   2.2525   68.754   3.2361   66.104   3.1371   93.461   2.2064   91.646   2.1813 1.815231 3.102619 
1 1 1    2    1   25 o   82.822   2.3428   54.117   3.0420   54.797   4.1519   53.328   4.4696   83.151   3.1877   81.948   3.4835 1.203049 4.721932 
1 1 1    2    1   26 o   48.947   2.7860   19.024   2.1311   21.091   2.9086   16.627   3.1316   51.341   3.6335   45.321   4.4609 6.020161 5.753402 
1 1 1    2    1   27 o   15.772   5.6173   1.8035   1.7509   2.3163   2.1097   0.6686   3.1386   17.556   6.1742   16.727   7.0371 0.8287373 9.361656 
1 1 1    2    2    0 o  1137.78   5.9988 10163.34  107.103 10163.34  107.103 10163.34  107.103  1137.78   5.9988  1137.78   5.9988 0.000000 0.000000 
1 1 1    2    2    1 o  628.775   2.4503  3102.68   24.178  3053.84   33.630  3154.93   34.786  623.758   3.4356  633.995   3.4963 -10.23639 4.901787 
1 1 1    2    2    2 o  583.249   2.2936  2669.60   20.994  2685.88   29.873  2653.72   29.509  584.983   3.2541  581.472   3.2338 3.511597 4.587702 
1 1 1    2    2    3 o  540.917   2.1518  2296.10   18.266  2277.20   25.622  2315.64   26.048  538.653   3.0310  543.180   3.0558 -4.526367 4.304083 
1 1 1    2    2    4 o  670.879   2.5939  3532.18   27.309  3500.67   38.265  3564.89   38.988  667.821   3.6512  673.917   3.6865 -6.095520 5.188575 
1 1 1    2    2    5 f  639.923   2.4884  3213.69   24.990  3162.16   34.756  3268.84   35.955  634.721   3.4894  645.336   3.5503 -10.61450 4.977989 
1 1 1    2    2    6 o  597.365   2.3438  2800.44   21.972  2794.36   31.004  2806.57   31.143  596.669   3.3111  597.970   3.3187 -1.300903 4.687978 
1 1 1    2    2    7 o  769.158   2.9375  4643.39   35.457  4629.81   49.984  4657.15   50.304  767.921   4.1477  770.184   4.1620 -2.262329 5.875869 
1 1 1    2    2    8 f  464.774   2.4079  1695.37   17.563  1702.07   27.857  1690.96   22.625  465.605   3.8126  464.131   3.1063 1.474030 4.917824 
1 1 1    2    2    9 o  216.536   1.4306  367.947   4.8613  372.389   8.0832  365.429   6.0846  217.819   2.3647  215.788   1.7968 2.031555 2.969918 
1 1 1    2    2   10 o  227.738   1.3493  406.999   4.8222  414.302   7.1548  400.919   6.5276  229.759   1.9844  226.021   1.8403 3.737854 2.706382 
1 1 1    2    2   11 o  331.028   1.8900  859.968   9.8183  882.064   14.165  839.538   13.621  335.223   2.6927  327.044   2.6540 8.179077 3.780769 
1 1 1    2    2   12 o  131.172   1.1284  135.014   2.3227  136.302   3.5913  134.087   3.0454  131.791   1.7364  130.719   1.4846 1.072739 2.284559 
1 1 1    2    2   13 o  532.643   2.5779  2226.60   21.548  2230.31   32.006  2223.52   29.143  533.018   3.8263  532.228   3.4892 0.7902832 5.178366 
1 1 1    2    2   14 o  386.673   1.9319  1173.32   11.723  1183.31   16.707  1163.63   16.453  388.292   2.7417  385.052   2.7229 3.240417 3.864080 
1 1 1    2    2   15 o  691.925   3.0955  3757.97   33.612  3768.86   47.674  3747.21   47.397  692.799   4.3850  690.808   4.3721 1.991394 6.192178 
1 1 1    2    2   16 o  304.962   1.6580  729.836   7.9350  721.070   11.133  738.887   11.313  303.105   2.3405  306.827   2.3495 -3.721497 3.316321 
1 1 1    2    2   17 o  381.378   1.9148  1141.54   11.460  1127.68   16.053  1155.94   16.366  379.011   2.6990  383.730   2.7177 -4.718719 3.830242 
1 1 1    2    2   18 o  223.582   1.4231  392.319   4.9931  396.343   7.1224  388.430   7.0017  224.702   2.0198  222.448   2.0057 2.253647 2.846485 
1 1 1    2    2   19 o  117.912   1.2586  109.122   2.3289  106.449   3.2851  111.824   3.3022  116.443   1.7977  119.348   1.7631 -2.904747 2.518020 
1 1 1    2    2   20 o   15.297   3.8726   1.9143   0.9304   2.5799   1.3291   1.2750   1.3028   17.769   4.6964   13.675   4.8479 4.094090 6.749687 
1 1 1    2    2   21 o   61.098   1.4645   29.310   1.4042   29.614   2.1425   29.082   1.8591   61.345   2.2292   60.811   1.9506 0.5341873 2.962147 
1 1 1    2    2   22 o  119.991   1.5633  113.088   2.9437  110.650   4.1892  115.466   4.1374  118.626   2.2503  121.188   2.1755 -2.562294 3.129964 
1 1 1    2    2   23 o  109.375   1.8999   94.046   3.2611   94.105   3.8954   93.908   5.9620  109.365   2.2697  108.993   3.4901 0.3711472 4.163263 
1 1 1    2    2   24 o   24.982   3.7681   5.0499   1.4314   5.0823   2.1314   5.0233   1.9318   24.721   5.6216   24.645   5.1606 0.7615852E-01 7.631114 
1 1 1    2    2   25 o   76.054   2.5497   45.691   3.0388   46.454   4.1625   44.821   4.4465   76.468   3.4778   75.022   3.7891 1.445618 5.143175 
1 1 1    2    2   26 o   16.698   5.9349   2.0114   1.9535   1.4720   2.7265   2.5803   2.8004   17.158   6.8034   19.250   7.0695 -2.091860 9.811489 
1 1 1    2    2   27 o   40.967   3.5145   13.499   2.2376   14.421   3.1683   12.582   3.1606   41.881   4.9140   38.935   5.3112 2.945961 7.235765 
1 1 1    2    2   28 o   36.652   3.5011   10.862   1.9893   10.873   2.8305   10.852   2.7965   36.072   5.1458   36.063   5.0822 0.9296417E-02 7.232450 
1 1 1    2    2   29 o   14.697   5.2633   1.5920   1.5393   2.4756   2.1288   0.6236   2.2286   17.699   6.2037   14.294   5.9658 3.405258 8.606820 
1 1 1    2    3    0 o  928.342   4.9477  6765.06   72.076  6765.06   72.076  6765.06   72.076  928.342   4.9477  928.342   4.9477 0.000000 0.000000 
1 1 1    2    3    1 o  357.533   1.8113  1003.11   10.163  998.964   14.334  1007.29   14.411  356.778   2.5601  358.263   2.5632 -1.484436 3.622685 
1 1 1    2    3    2 o  172.755   1.9639  234.196   5.3243  237.668   8.4640  231.923   6.8491  174.017   3.0994  171.908   2.5388 2.108536 4.006484 
1 1 1    2    3    3 o  534.217   2.1344  2239.57   17.894  2224.51   25.141  2255.04   25.473  532.385   3.0092  536.026   3.0283 -3.640747 4.269157 
1 1 1    2    3    4 o  590.148   2.3224  2733.14   21.509  2733.14   30.416  2733.13   30.419  590.106   3.2845  590.105   3.2848 0.1159668E-02 4.645194 
1 1 1    2    3    5 o  354.469   1.6144  985.974   8.9803  981.942   12.264  990.636   13.187  353.733   2.2092  355.292   2.3651 -1.558990 3.236394 
1 1 1    2    3    6 o  778.339   2.9718  4754.81   36.299  4745.83   51.224  4763.87   51.445  777.499   4.1983  778.974   4.2083 -1.475403 5.944379 
1 1 1    2    3    7 o   67.557   1.2343   35.814   1.3085   35.868   1.7716   35.749   1.9412   67.607   1.6698   67.469   1.8351 0.1380844 2.481063 
1 1 1    2    3    8 o  390.797   2.1224  1198.59   13.016  1172.58   20.153  1217.20   17.049  386.476   3.3228  393.793   2.7588 -7.316284 4.318819 
1 1 1    2    3    9 o   61.926   1.4560   30.094   1.4150   28.637   1.8615   32.087   2.1776   60.374   1.9674   63.903   2.1746 -3.529385 2.932462 
1 1 1    2    3   10 o  153.344   1.0889  184.519   2.6205  184.373   3.7119  184.665   3.6999  153.279   1.5431  153.400   1.5370 -0.1213074 2.177964 
1 1 1    2    3   11 o  116.727   1.0768  106.916   1.9724  106.610   2.8005  107.218   2.7785  116.556   1.5310  116.889   1.5147 -0.3322144 2.153727 
1 1 1    2    3   12 o  393.283   1.8031  1213.78   11.128  1224.76   15.867  1203.15   15.611  395.034   2.5595  391.533   2.5407 3.500824 3.606454 
1 1 1    2    3   13 o  622.670   2.8203  3043.00   27.559  3047.51   39.028  3038.51   38.922  623.054   3.9915  622.134   3.9866 0.9204712 5.641381 
1 1 1    2    3   14 f  397.821   1.9752  1241.96   12.331  1250.88   17.554  1233.26   17.327  399.223   2.8018  396.401   2.7854 2.821808 3.950766 
1 1 1    2    3   15 f   82.231   1.8939   53.066   2.4440   55.142   2.8835   47.770   4.6053   83.794   2.1947   77.912   3.7779 5.881401 4.369084 
1 1 1    2    3   16 o  376.541   2.0866  1112.74   12.330  1115.36   17.473  1110.14   17.401  376.944   2.9539  376.062   2.9485 0.8824768 4.173592 
1 1 1    2    3   17 o  187.696   1.6760  276.485   4.9366  282.946   7.0755  270.356   6.8910  189.858   2.3748  185.586   2.3661 4.271881 3.352310 
1 1 1    2    3   18 o  156.292   1.4490  191.712   3.5539  195.153   5.0715  188.393   4.9816  157.670   2.0496  154.915   2.0491 2.755081 2.898255 
1 1 1    2    3   19 o  224.795   1.5953  396.693   5.6279  402.735   7.9908  390.745   7.9276  226.449   2.2486  223.051   2.2648 3.397736 3.191488 
1 1 1    2    3   20 o   60.289   1.5998   28.559   1.5123   28.315   2.1754   28.788   2.1038   59.986   2.3153   60.492   2.2199 -0.5062065 3.207586 
1 1 1    2    3   21 o  140.262   1.3144  154.456   2.8932  155.764   4.1461  153.214   4.0391  140.812   1.8762  139.658   1.8430 1.154144 2.629973 
1 1 1    2    3   22 o   57.261   1.7022   25.783   1.5279   26.150   2.2031   25.442   2.1207   57.604   2.4427   56.824   2.3835 0.7796936 3.412877 
1 1 1    2    3   23 o  135.084   1.5666  143.370   3.3210  144.983   4.1868  140.634   5.4537  135.790   1.9648  133.632   2.6006 2.157272 3.259365 
1 1 1    2    3   24 o   32.017   2.2289   8.1086   1.1129   9.2750   1.7610   7.3330   1.4360   34.095   3.3338   30.325   3.0592 3.770718 4.524693 
1 1 1    2    3   25 o   83.427   1.9712   54.802   2.5807   58.190   4.0479   52.483   3.3498   85.718   3.0139   81.493   2.6227 4.224907 3.995295 
1 1 1    2    3   26 o   32.075   6.9213   8.8165   3.3815   8.1220   4.7325   9.5410   4.8334   30.367   9.1657   32.748   9.0861 -2.380754 12.90612 
1 1 1    2    3   27 o   41.615   3.8232   13.995   2.4689   19.713   3.5654   8.7265   3.4221   49.122   4.6817   31.638   7.0707 17.48384 8.480128 
1 1 1    2    3   28 o   54.828   3.1337   24.086   2.6851   25.598   3.8725   22.686   3.7263   55.955   4.4466   52.602   4.5591 3.352558 6.368475 
1 1 1    2    3   29 o   52.427   3.0577   22.089   2.5048   25.802   3.6624   18.826   3.4332   56.112   4.1894   47.646   4.6508 8.465496 6.259471 
1 1 1    2    3   30 o   15.833   5.7341   1.9258   1.8331   2.3357   2.6047   1.5237   2.5801   17.754   6.7566   16.299   6.5657 1.454340 9.421218 
1 1 1    2    3   31 o   12.329   4.9840   0.7881   1.4925   0.5311   2.0253   1.0935   2.2080   13.182   5.6042   14.507   5.9860 -1.324880 8.199963 
1 1 1    2    4    0 o  408.227   2.4506  1307.86   15.698  1307.86   15.698  1307.86   15.698  408.227   2.4506  408.227   2.4506 0.000000 0.000000 
1 1 1    2    4    1 o  327.940   1.4913  843.903   7.6749  842.086   10.836  845.732   10.872  327.578   2.1078  328.286   2.1104 -0.7082520 2.982750 
1 1 1    2    4    2 o  656.292   2.5526  3380.24   26.290  3376.06   37.131  3384.43   37.227  655.830   3.6078  656.642   3.6126 -0.8119507 5.105600 
1 1 1    2    4    3 o  595.240   2.3454  2780.51   21.909  2774.38   30.913  2786.71   31.054  594.539   3.3133  595.858   3.3210 -1.319153 4.691176 
1 1 1    2    4    4 f  506.479   2.0503  2013.03   16.296  2003.53   22.941  2022.71   23.154  505.254   2.8933  507.666   2.9063 -2.412231 4.100944 
1 1 1    2    4    5 o  329.039   1.8965  849.604   9.7927  856.711   13.948  842.696   13.752  330.394   2.6901  327.681   2.6743 2.713379 3.793248 
1 1 1    2    4    6 f  285.035   1.5878  637.543   7.1022  627.813   9.9313  647.729   10.161  282.840   2.2375  287.290   2.2537 -4.450714 3.175774 
1 1 1    2    4    7 o  396.021   1.8166  1230.75   11.290  1229.85   15.951  1231.66   15.982  395.849   2.5677  396.140   2.5708 -0.2912903 3.633504 
1 1 1    2    4    8 o  317.002   1.9561  788.653   9.7312  790.190   14.581  787.417   13.067  317.272   2.9285  316.728   2.6290 0.5435486 3.935429 
1 1 1    2    4    9 o  198.810   1.3638  310.169   4.2550  307.470   6.5709  312.117   5.5838  197.928   2.1155  199.426   1.7842 -1.497543 2.767408 
1 1 1    2    4   10 o  163.542   1.4250  209.887   3.6574  212.013   5.2014  207.808   5.1436  164.360   2.0166  162.722   2.0143 1.638184 2.850251 
1 1 1    2    4   11 o  283.971   1.3866  632.792   6.1794  644.698   8.8585  621.507   8.6241  286.618   1.9695  281.416   1.9528 5.201904 2.773493 
1 1 1    2    4   12 o  239.755   1.2827  451.062   4.8262  457.848   6.8934  444.537   6.7590  241.544   1.8186  238.008   1.8096 3.536911 2.565520 
1 1 1    2    4   13 o  673.449   2.6208  3559.41   27.698  3533.02   38.861  3586.66   39.487  670.877   3.6912  675.948   3.7225 -5.071350 5.242294 
1 1 1    2    4   14 o  270.948   1.3633  576.069   5.7969  571.740   8.1684  580.461   8.2281  269.919   1.9284  271.970   1.9279 -2.050690 2.726781 
1 1 1    2    4   15 o  207.066   1.3155  336.454   4.2748  337.256   6.5885  335.871   5.6179  207.302   2.0253  206.880   1.7304 0.4210510 2.663814 
1 1 1    2    4   16 o  197.836   1.5401  307.141   4.7815  321.892   7.8642  298.490   6.0226  202.512   2.4746  195.022   1.9679 7.489410 3.161625 
1 1 1    2    4   17 o  131.339   1.3779  135.372   2.8400  134.875   4.2108  135.786   3.8466  131.087   2.0469  131.532   1.8635 -0.4456024 2.768141 
1 1 1    2    4   18 o  153.894   1.3683  185.874   3.3045  187.984   4.7185  183.842   4.6295  154.747   1.9430  153.033   1.9277 1.713684 2.737009 
1 1 1    2    4   19 o  140.514   1.6025  155.003   3.5336  155.117   4.7583  154.863   5.2763  140.536   2.1575  140.406   2.3946 0.1303558 3.223232 
1 1 1    2    4   20 o  157.547   1.3621  194.855   3.3676  194.658   4.7915  195.048   4.7341  157.427   1.9395  157.586   1.9143 -0.1594543 2.725103 
1 1 1    2    4   21 o   33.414   2.5247   8.8296   1.3141   10.569   1.8924   7.2099   1.8261   36.479   3.3428   29.972   3.9807 6.507137 5.198124 
1 1 1    2    4   22 o  148.358   1.3575  172.846   3.1606  172.374   4.4852  173.313   4.4544  148.092   1.9299  148.498   1.9114 -0.4051971 2.716293 
1 1 1    2    4   23 o   51.603   2.0143   20.974   1.6281   20.832   2.2226   21.138   2.3916   51.342   2.7688   51.693   2.9606 -0.3505554 4.053537 
1 1 1    2    4   24 o  130.103   1.3155  132.976   2.6858  132.296   3.8297  133.634   3.7676  129.688   1.8818  130.349   1.8418 -0.6605682 2.633122 
1 1 1    2    4   25 o   41.207   2.0965   13.413   1.3513   11.589   1.9247   15.185   1.8976   38.110   3.2492   43.748   2.7784 -5.637390 4.275149 
1 1 1    2    4   26 o   15.721   5.0358   1.9660   1.4054   1.9478   1.9774   1.9846   1.9979   16.571   5.9617   16.690   5.9940 -0.1196060 8.453949 
1 1 1    2    4   27 o   77.851   1.8516   47.808   2.2621   48.179   3.0480   47.354   3.3751   77.946   2.4950   77.173   2.7915 0.7730865 3.743969 
1 1 1    2    4   28 o   12.532   4.4938   1.1101   1.1225   1.8574   1.5865   0.3610   1.5884   15.535   5.3609   12.090   5.0406 3.444808 7.358444 
1 1 1    2    4   29 o   32.429   7.4632   9.6094   3.7193   10.880   5.3071   8.3830   5.2138   33.163   9.6305   29.302   9.7207 3.861450 13.68357 
1 1 1    2    4   30 o   17.849   7.2815   1.8879   3.2198   4.5960   4.4724  -1.0260   4.6393   22.885   8.8173   17.094   7.7990 5.791634 11.77150 
1 1 1    2    4   31 o   13.981   5.6883   1.0994   1.9587  -1.1007   2.7260   3.4476   2.8163   12.799   5.8910   19.380   7.0941 -6.581328 9.221188 
1 1 1    2    4   32 o   10.544   4.8100  -0.6282   1.7640  -2.5280   2.4075   1.5743   2.5921   10.494   5.0388   15.496   6.4481 -5.001599 8.183363 
1 1 1    2    4   33 o   12.451   5.0067   1.0019   1.4975   0.0471   2.0387   2.1206   2.2068   12.049   5.3603   15.705   6.1534 -3.656323 8.160739 
1 1 1    2    5    0 o  652.467   5.0919  3342.14   52.130  3342.14   52.130  3342.14   52.130  652.467   5.0919  652.467   5.0919 0.000000 0.000000 
1 1 1    2    5    1 o  717.464   3.9155  4040.69   44.085  4009.10   61.837  4073.34   62.866  714.509   5.5149  720.206   5.5623 -5.696899 7.832808 
1 1 1    2    5    2 f  301.371   2.0231  712.732   9.5681  717.860   13.602  707.709   13.462  302.436   2.8659  300.290   2.8566 2.145721 4.046469 
1 1 1    2    5    3 o  396.163   1.9745  1231.60   12.276  1222.96   17.260  1240.45   17.462  394.750   2.7862  397.561   2.7989 -2.810974 3.949283 
1 1 1    2    5    4 o  834.106   3.6669  5461.26   47.998  5437.42   67.572  5485.54   68.191  832.118   5.1746  835.789   5.1990 -3.670654 7.335275 
1 1 1    2    5    5 o  357.293   1.8431  1001.79   10.334  997.442   14.564  1006.20   14.666  356.498   2.6032  358.059   2.6101 -1.560822 3.686373 
1 1 1    2    5    6 o  465.399   2.2261  1699.85   16.258  1703.01   23.040  1696.72   22.945  465.787   3.1520  464.926   3.1449 0.8615417 4.452551 
1 1 1    2    5    7 o  267.383   1.4465  561.029   6.0695  573.381   8.6923  549.277   8.4787  270.297   2.0492  264.554   2.0422 5.742188 2.893110 
1 1 1    2    5    8 o  201.355   1.3449  318.160   4.2496  316.709   5.7939  319.850   6.2519  200.887   1.8379  201.878   1.9734 -0.9907837 2.696671 
1 1 1    2    5    9 o  199.285   1.3439  311.653   4.2029  311.714   6.1860  311.601   5.7281  199.293   1.9779  199.260   1.8318 0.3312683E-01 2.695880 
1 1 1    2    5   10 o  101.788   1.2559   81.302   2.0062   79.542   2.8067   83.142   2.8686  100.676   1.7765  102.929   1.7759 -2.252892 2.511953 
1 1 1    2    5   11 f  470.987   2.0867  1740.89   15.423  1732.69   21.709  1749.24   21.917  469.837   2.9443  472.075   2.9584 -2.238190 4.173850 
1 1 1    2    5   12 o  400.059   1.8542  1255.96   11.641  1228.67   16.150  1285.46   16.795  395.668   2.6010  404.708   2.6444 -9.039581 3.709164 
1 1 1    2    5   13 o  451.836   1.9583  1602.10   13.886  1600.20   19.005  1604.28   20.337  451.544   2.6820  452.111   2.8664 -0.5674133 3.925494 
1 1 1    2    5   14 o   54.402   1.6832   23.247   1.4353   22.701   2.0544   23.768   2.0060   53.727   2.4431   54.982   2.3302 -1.255638 3.376165 
1 1 1    2    5   15 o  367.454   1.6425  1059.59   9.4717  1054.47   13.362  1064.77   13.428  366.541   2.3229  368.328   2.3232 -1.786774 3.285308 
1 1 1    2    5   16 f  310.001   1.4822  754.150   7.2107  755.316   10.233  753.000   10.162  310.221   2.1020  309.746   2.0906 0.4754639 2.964628 
1 1 1    2    5   17 f  311.138   1.4852  759.738   7.2518  762.457   10.309  757.074   10.203  311.664   2.1078  310.563   2.0935 1.101196 2.970770 
1 1 1    2    5   18 o   60.790   1.4275   29.004   1.3618   31.368   1.9762   26.867   1.8791   63.178   1.9957   58.463   2.0514 4.715622 2.861994 
1 1 1    2    5   19 o  188.865   1.3088  279.992   3.8790  273.696   5.4475  286.467   5.5248  186.695   1.8593  191.002   1.8432 -4.307281 2.618122 
1 1 1    2    5   20 o   28.369   3.2164   6.4141   1.4067   3.8475   1.9976   8.9390   1.9812   21.664   5.7721   33.465   3.8422 -11.80126 6.933949 
1 1 1    2    5   21 o   78.635   1.5680   48.563   1.9349   47.334   2.7629   49.746   2.7106   77.562   2.2724   79.524   2.1740 -1.962883 3.144861 
1 1 1    2    5   22 o  110.033   1.4375   95.093   2.4821   97.914   3.5710   92.456   3.4525  111.598   2.0390  108.444   2.0287 3.154007 2.876362 
1 1 1    2    5   23 o   51.302   2.2962   20.756   1.8439   18.317   2.6688   22.984   2.5506   48.008   3.5679   53.894   3.0280 -5.885731 4.679603 
1 1 1    2    5   24 o   81.415   1.6472   52.115   2.1045   49.960   3.0479   54.078   2.9095   79.582   2.4434   82.835   2.2402 -3.252808 3.314919 
1 1 1    2    5   25 o   18.061   4.3920   2.7099   1.2326   3.6934   1.8695   1.9537   1.6394   21.005   5.5784   16.074   5.4522 4.930771 7.800303 
1 1 1    2    5   26 o   56.583   2.1957   25.316   1.9460   22.372   3.0083   27.434   2.5518   52.823   3.6515   58.774   2.7744 -5.950916 4.585930 
1 1 1    2    5   27 o   18.863   5.4503   2.9976   1.7037   2.6699   2.3371   3.3692   2.4889   18.587   6.5012   20.269   6.7159 -1.681931 9.347166 
1 1 1    2    5   28 o   24.923   4.4676   5.1997   1.6831   5.1559   2.3140   5.2490   2.4527   24.313   6.0810   24.466   6.3378 -0.1530914 8.783256 
1 1 1    2    5   29 o   61.142   2.2415   29.731   2.1471   29.909   3.2745   29.597   2.8436   60.775   3.4475   60.687   2.9951 0.8813477E-01 4.566825 
1 1 1    2    5   30 o   12.536   4.7811   1.0169   1.3060   2.7916   1.8334  -0.8117   1.8609   17.900   5.7534   10.929   4.9680 6.971802 7.601485 
1 1 1    2    5   31 o   20.192   6.5312   3.9048   2.3602   5.4288   3.3402   2.3850   3.3354   22.932   7.7824   17.961   7.3787 4.970785 10.72429 
1 1 1    2    5   32 o   17.247   7.2049   2.3275   3.2549   4.7960   4.4106  -0.6246   4.8233   20.918   8.5264   16.228   7.5933 4.689178 11.41744 
1 1 1    2    5   33 f   20.006   5.9414   4.0302   2.0008   4.1096   2.7621   3.9425   2.9021   19.544   7.0441   19.187   7.1688 0.3577518 10.05043 
1 1 1    2    5   34 o   12.756   5.3362   1.1524   1.7891  -0.2619   2.4482   2.7735   2.6210   11.982   5.5391   16.105   6.5697 -4.122616 8.593217 
1 1 1    2    6    0 o  185.489   1.6682  270.045   4.8551  270.045   4.8551  270.045   4.8551  185.489   1.6682  185.489   1.6682 0.000000 0.000000 
1 1 1    2    6    1 o  479.161   1.9785  1801.72   14.877  1791.55   20.934  1812.11   21.147  477.779   2.7920  480.513   2.8043 -2.734009 3.957237 
1 1 1    2    6    2 o  459.004   1.9147  1653.32   13.792  1675.94   19.747  1631.78   19.271  462.107   2.7231  455.979   2.6932 6.127869 3.829909 
1 1 1    2    6    3 o  532.770   2.1540  2227.51   18.009  2238.19   25.589  2217.02   25.351  534.007   3.0535  531.476   3.0395 2.530701 4.308393 
1 1 1    2    6    4 f  184.062   1.2306  265.844   3.5546  262.210   4.8432  270.087   5.2334  182.795   1.6883  185.520   1.7976 -2.724350 2.466106 
1 1 1    2    6    5 o  240.155   1.2998  452.573   4.8988  447.658   6.8797  457.628   6.9773  238.840   1.8355  241.485   1.8411 -2.645035 2.599781 
1 1 1    2    6    6 o  329.896   1.6375  854.051   8.4772  841.195   11.865  867.458   12.117  327.384   2.3094  332.455   2.3224 -5.070923 3.275162 
1 1 1    2    6    7 o  218.192   1.3518  373.591   4.6286  379.940   6.6133  367.494   6.4805  220.027   1.9153  216.394   1.9083 3.633606 2.703709 
1 1 1    2    6    8 o  186.292   1.3593  272.339   3.9738  266.828   5.3540  279.098   5.9295  184.389   1.8503  188.578   2.0037 -4.188812 2.727294 
1 1 1    2    6    9 o   96.632   1.4335   73.277   2.1738   69.699   3.3472   75.887   2.8587   94.236   2.2634   98.335   1.8525 -4.098465 2.924852 
1 1 1    2    6   10 o  105.408   1.3761   87.189   2.2763   85.374   3.1299   89.225   3.3164  104.301   1.9122  106.627   1.9819 -2.325661 2.754027 
1 1 1    2    6   11 o  308.365   1.4890  746.177   7.2053  737.951   10.111  754.663   10.270  306.649   2.1012  310.101   2.1104 -3.452484 2.978066 
1 1 1    2    6   12 o  143.649   1.2224  161.921   2.7556  161.606   3.9081  162.232   3.8860  143.506   1.7354  143.784   1.7222 -0.2776947 2.444899 
1 1 1    2    6   13 o   49.079   2.0386   18.936   1.5667   16.142   2.2520   21.556   2.1810   45.236   3.1928   52.340   2.6640 -7.103546 4.158237 
1 1 1    2    6   14 o  276.535   1.5140  600.092   6.5704  592.947   9.2651  607.320   9.3190  274.871   2.1479  278.183   2.1347 -3.311890 3.028250 
1 1 1    2    6   15 o  259.088   1.4717  526.765   5.9838  530.819   8.5484  522.869   8.3788  260.069   2.0945  258.115   2.0685 1.954071 2.943790 
1 1 1    2    6   16 o  221.855   1.4457  386.255   5.0333  383.994   7.4296  388.173   6.8430  221.187   2.1404  222.392   1.9607 -1.205643 2.902729 
1 1 1    2    6   17 o   73.128   1.6507   41.972   1.8943   42.802   2.7449   41.218   2.6176   73.799   2.3732   72.422   2.3061 1.376816 3.309129 
1 1 1    2    6   18 o  191.969   1.4403  289.258   4.3391  290.049   6.1991  288.499   6.0756  192.198   2.0553  191.685   2.0197 0.5122070 2.881578 
1 1 1    2    6   19 o  104.192   1.3819   85.221   2.2595   83.647   3.1484   86.892   3.2446  103.203   1.9440  105.184   1.9657 -1.981316 2.764554 
1 1 1    2    6   20 o  166.465   1.3028  217.546   3.4033  222.474   4.8601  212.805   4.7673  168.296   1.8402  164.598   1.8456 3.698624 2.606274 
1 1 1    2    6   21 o   81.471   1.2748   52.115   1.6299   54.402   2.3415   49.966   2.2701   83.213   1.7931   79.747   1.8140 3.465813 2.550614 
1 1 1    2    6   22 o   39.686   2.5990   12.453   1.6098   10.465   2.2992   14.364   2.2545   36.136   4.1284   42.528   3.4065 -6.391777 5.352404 
1 1 1    2    6   23 o   14.933   5.3489   1.5217   1.5899  -1.8027   2.3321   4.4084   2.1732   11.747   5.4218   23.024   5.9664 -11.27749 8.061845 
1 1 1    2    6   24 o   51.058   2.0279   20.554   1.6216   19.778   2.3496   21.260   2.2409   49.938   3.0122   51.824   2.7654 -1.885826 4.089164 
1 1 1    2    6   25 o   24.123   3.5805   4.7237   1.3144   4.4335   1.8923   4.9943   1.8271   22.987   5.3469   24.508   4.9217 -1.521282 7.267230 
1 1 1    2    6   26 o   17.400   4.5312   2.5313   1.2493   4.8280   1.8140   0.4592   1.7230   23.992   4.9812   12.787   5.2833 11.20489 7.261204 
1 1 1    2    6   27 o   49.718   1.8875   19.540   1.4700   18.216   2.0920   20.832   2.0661   47.788   2.8019   51.176   2.5810 -3.387856 3.809471 
1 1 1    2    6   28 f   46.591   3.2617   17.481   2.3697   17.799   3.3270   17.154   3.3760   46.424   4.6284   45.483   4.8023 0.9409370 6.669653 
1 1 1    2    6   29 o   39.801   4.5837   13.241   2.8108   10.689   4.1420   15.419   3.8267   33.726   7.9558   42.158   5.9494 -8.431782 9.934264 
1 1 1    2    6   30 o   21.803   6.2538   4.3848   2.2509   4.7096   3.6528   4.1860   2.8579   22.336   8.0938   21.233   7.1987 1.102936 10.83198 
1 1 1    2    6   31 o   10.567   4.6869  -0.2016   1.5468   0.2528   2.1857  -0.6575   2.1894   13.005   5.6761   11.834   5.3830 1.171284 7.822710 
1 1 1    2    6   32 o   20.484   4.5784   3.8139   1.4347   3.1474   2.0173   4.4961   2.0409   18.011   6.0481   21.408   5.8905 -3.396717 8.442603 
1 1 1    2    6   33 o   15.102   5.5752   2.0642   1.7454   0.7293   3.2717   2.5953   2.0636   14.904   6.6986   16.441   6.0634 -1.536558 9.035290 
1 1 1    2    6   34 o   13.914   5.8242   1.6636   2.1333   2.8938   2.9788   0.3684   3.0566   16.130   6.8243   13.367   6.1828 2.763060 9.208637 
1 1 1    2    7    0 o   47.285   2.3853   17.679   1.7597   17.679   1.7597   17.679   1.7597   47.285   2.3853   47.285   2.3853 0.000000 0.000000 
1 1 1    2    7    1 o  509.241   2.0844  2035.10   16.657  2030.85   23.512  2039.39   23.603  508.672   2.9453  509.739   2.9506 -1.067230 4.169065 
1 1 1    2    7    2 o  489.339   2.0227  1879.14   15.533  1895.57   22.147  1863.23   21.791  491.438   2.8717  487.230   2.8499 4.208344 4.045787 
1 1 1    2    7    3 o  118.470   1.1659  110.133   2.1677  114.056   3.0885  106.324   3.0431  120.559   1.6325  116.400   1.6659 4.158844 2.332422 
1 1 1    2    7    4 o  252.258   1.3485  499.344   5.3384  507.705   7.6285  491.320   7.4730  254.352   1.9112  250.214   1.9032 4.137695 2.697154 
1 1 1    2    7    5 o  340.224   1.6809  908.374   8.9746  900.154   12.623  916.775   12.762  338.658   2.3753  341.770   2.3794 -3.111969 3.362026 
1 1 1    2    7    6 o  121.759   1.4487  116.340   2.7681  116.119   3.7383  116.609   4.1188  121.638   1.9584  121.891   2.1532 -0.2538223 2.910609 
1 1 1    2    7    7 o  122.141   1.4021  117.072   2.6875  114.308   3.4986  121.050   4.1977  120.686   1.8473  124.190   2.1539 -3.503647 2.837532 
1 1 1    2    7    8 o  159.473   1.3096  199.568   3.2773  194.337   4.6101  204.913   4.6600  157.361   1.8668  161.587   1.8377 -4.225861 2.619568 
1 1 1    2    7    9 o  154.340   1.4581  186.929   3.5315  189.411   5.2159  184.829   4.7988  155.352   2.1395  153.464   1.9926 1.888321 2.923658 
1 1 1    2    7   10 f  102.845   1.3919   83.000   2.2465   84.347   3.1497   81.606   3.2050  103.673   1.9360  101.974   2.0028 1.699028 2.785541 
1 1 1    2    7   11 o  123.722   1.7520  120.119   3.4015  124.449   5.0870  116.618   4.5747  125.924   2.5742  121.900   2.3914 4.024368 3.513590 
1 1 1    2    7   12 o  291.325   1.5668  665.988   7.1631  665.180   10.103  666.804   10.158  291.137   2.2112  291.492   2.2205 -0.3548889 3.133749 
1 1 1    2    7   13 o  204.786   1.4452  329.085   4.6443  334.285   6.3525  323.114   6.8072  206.391   1.9613  202.910   2.1378 3.480698 2.901160 
1 1 1    2    7   14 o  315.466   1.7725  780.989   8.7750  774.364   12.320  787.810   12.501  314.102   2.4995  316.817   2.5144 -2.714691 3.545353 
1 1 1    2    7   15 o  196.975   1.5045  304.474   4.6505  311.079   6.6295  298.075   6.5252  199.088   2.1219  194.882   2.1336 4.205994 3.009128 
1 1 1    2    7   16 o  359.280   1.9102  1013.13   10.770  1019.20   15.315  1007.19   15.149  360.304   2.7085  358.175   2.6952 2.128448 3.821013 
1 1 1    2    7   17 o  125.637   1.3671  123.883   2.6953  121.736   3.7949  126.069   3.8289  124.529   1.9419  126.727   1.9253 -2.197662 2.734545 
1 1 1    2    7   18 o   79.478   1.5498   49.588   1.9330   49.268   2.7518   49.899   2.7159   79.171   2.2171   79.680   2.1741 -0.5088730 3.105131 
1 1 1    2    7   19 o  110.699   1.3828   96.201   2.4023   98.046   3.4279   94.421   3.3676  111.727   1.9551  109.642   1.9572 2.084846 2.766380 
1 1 1    2    7   20 o   53.523   1.8682   22.532   1.5667   23.054   2.2381   22.031   2.1940   54.076   2.6454   52.859   2.6534 1.217014 3.746775 
1 1 1    2    7   21 o   48.705   1.9503   18.673   1.4876   17.368   2.1269   19.923   2.0814   46.874   2.9058   50.244   2.6491 -3.370819 3.932094 
1 1 1    2    7   22 o   97.501   1.9864   74.751   3.0393   79.196   4.1990   69.860   4.4050  100.236   2.6718   94.084   2.9872 6.152603 4.007745 
1 1 1    2    7   23 o   25.324   3.0389   5.1339   1.1836   6.2201   1.6800   4.0636   1.6677   27.739   3.9726   22.157   4.9240 5.581863 6.326754 
1 1 1    2    7   24 o   14.123   5.3997   1.1292   1.6685  -0.2968   2.1502   3.2873   2.6453   12.971   5.6460   20.582   6.9259 -7.610717 8.935633 
1 1 1    2    7   25 o   19.630   4.9053   3.2253   1.5067   3.9507   2.1297   2.4983   2.1319   21.661   6.0394   18.102   6.2157 3.558121 8.666582 
1 1 1    2    7   26 o   89.547   1.8026   63.214   2.5331   63.180   3.8479   63.240   3.3652   89.204   2.7520   89.372   2.4016 -0.1677628 3.652570 
1 1 1    2    7   27 o   17.336   4.9175   2.5274   1.3993   0.8390   1.9386   4.3640   2.0219   14.032   5.6773   22.518   5.7135 -8.486523 8.054541 
1 1 1    2    7   28 o   35.558   2.4893   10.100   1.3803   10.085   1.9492   10.114   1.9549   35.205   3.5778   35.254   3.5832 -0.4922485E-01 5.063588 
1 1 1    2    7   29 o   26.178   5.0580   5.9091   2.0027   6.6586   2.8989   5.2248   2.7699   26.971   6.8402   23.891   6.9632 3.080135 9.760824 
1 1 1    2    7   30 o   40.902   3.3496   13.772   2.1312   10.834   3.0042   16.749   3.0239   34.755   5.7059   44.411   4.3965 -9.655396 7.203259 
1 1 1    2    7   31 o   16.056   5.7386   2.2563   1.8290   0.5660   2.6011   3.9092   2.5722   14.232   6.2022   19.913   6.8278 -5.680593 9.224211 
1 1 1    2    7   32 o   8.0224   3.9239  -2.6600   1.6457  -3.1254   2.3400  -2.2044   2.3151   9.7959   4.7664   10.429   4.9897 -0.6329813 6.900430 
1 1 1    2    7   33 f   9.7768   4.7112  -2.2606   2.1489  -4.3021   3.1243  -0.4277   2.9604   10.753   5.2890   13.170   6.0893 -2.417660 8.065536 
1 1 1    2    7   34 o   10.022   4.4480   0.1335   1.3954   0.1393   1.9584   0.1275   1.9886   11.312   5.1240   11.355   5.1516 -0.4370975E-01 7.265948 
1 1 1    2    8    0 o  111.142   2.3990   97.072   4.1799   97.072   4.1799   97.072   4.1799  111.142   2.3990  111.142   2.3990 0.000000 0.000000 
1 1 1    2    8    1 o  161.651   1.6990  205.062   4.3099  211.671   6.1609  198.728   6.0315  164.226   2.3905  159.125   2.4153 5.100601 3.398304 
1 1 1    2    8    2 f  162.678   1.5402  207.672   3.9319  205.715   5.5021  209.713   5.6209  161.901   2.1656  163.467   2.1911 -1.565216 3.080703 
1 1 1    2    8    3 o  165.443   1.7521  214.801   4.5491  218.154   7.4319  212.792   5.7527  166.709   2.8407  164.660   2.2263 2.049408 3.609150 
1 1 1    2    8    4 o  208.458   1.3760  341.001   4.5013  336.402   6.3443  345.664   6.3876  207.036   1.9527  209.868   1.9395 -2.831024 2.752191 
1 1 1    2    8    5 o  228.540   1.4149  409.875   5.0744  404.493   7.1482  415.341   7.2048  227.022   2.0064  230.046   1.9957 -3.024231 2.829951 
1 1 1    2    8    6 o   82.490   1.4830   53.400   1.9197   56.280   2.7535   50.675   2.6779   84.681   2.0720   80.325   2.1263 4.356331 2.968885 
1 1 1    2    8    7 o   46.290   2.4951   16.868   1.8058   16.216   2.6091   17.467   2.5018   45.293   3.7031   47.042   3.4121 -1.749363 5.035370 
1 1 1    2    8    8 f  299.855   1.5954  705.593   7.5075  703.673   10.622  707.510   10.612  299.428   2.2606  300.244   2.2523 -0.8155823 3.191094 
1 1 1    2    8    9 o  328.060   1.8874  844.589   9.7166  837.980   14.356  850.176   13.199  326.745   2.7998  329.123   2.5555 -2.377991 3.790722 
1 1 1    2    8   10 o  368.401   1.6826  1065.03   9.7278  1074.93   13.874  1055.46   13.643  370.091   2.3889  366.724   2.3706 3.366791 3.365494 
1 1 1    2    8   11 o  101.519   1.4307   80.873   2.2793   81.699   3.2307   80.054   3.2163  102.033   2.0176  101.001   2.0292 1.032349 2.861557 
1 1 1    2    8   12 o   93.240   1.4843   68.220   2.1719   66.778   3.0691   69.667   3.0738   92.245   2.1201   94.220   2.0789 -1.974487 2.969298 
1 1 1    2    8   13 o  249.157   1.4149  487.146   5.5323  481.441   7.7836  492.970   7.8648  247.683   2.0025  250.632   1.9996 -2.948120 2.829929 
1 1 1    2    8   14 o  148.286   1.3842  172.552   3.2211  174.354   4.4025  170.477   4.7253  149.053   1.8822  147.384   2.0430 1.668854 2.777856 
1 1 1    2    8   15 o  323.162   1.5801  819.572   8.0132  815.943   11.315  823.224   11.350  322.420   2.2362  323.856   2.2333 -1.435486 3.160414 
1 1 1    2    8   16 o  108.230   1.4340   91.930   2.4356   92.663   3.4669   91.217   3.4225  108.650   2.0333  107.799   2.0231 0.8507767 2.868356 
1 1 1    2    8   17 o  123.924   1.3993  120.536   2.7214  119.280   3.9782  121.640   3.7308  123.256   2.0567  124.475   1.9099 -1.219078 2.806769 
1 1 1    2    8   18 o  197.411   1.3344  305.910   4.1340  306.313   5.8807  305.517   5.8127  197.499   1.8974  197.244   1.8779 0.2553101 2.669533 
1 1 1    2    8   19 o   65.727   1.9202   33.963   1.9785   35.878   2.8860   32.265   2.7175   67.492   2.7305   63.999   2.7119 3.492840 3.848381 
1 1 1    2    8   20 o   49.625   2.2865   19.402   1.7759   17.693   2.6264   20.842   2.4104   47.241   3.5691   51.365   3.0034 -4.123848 4.664674 
1 1 1    2    8   21 o   43.800   2.2534   15.129   1.5436   16.712   2.2488   13.718   2.1228   45.937   3.1382   41.580   3.2798 4.357685 4.539312 
1 1 1    2    8   22 o   72.069   1.6434   40.818   1.8587   44.332   2.7926   38.023   2.4904   75.006   2.3755   69.469   2.2875 5.536354 3.297825 
1 1 1    2    8   23 o   16.967   4.7658   2.3597   1.3210   1.2474   1.9933   3.2307   1.7639   15.228   5.8813   19.780   5.4894 -4.551644 8.045070 
1 1 1    2    8   24 o   10.363   4.2919   0.2406   1.1407   1.2319   1.6272  -0.7174   1.5996   14.239   5.3581   10.435   4.6873 3.804439 7.119005 
1 1 1    2    8   25 o   39.334   2.0509   12.236   1.2616   11.990   1.8320   12.457   1.7399   38.756   3.0364   39.553   2.8216 -0.7970543 4.145035 
1 1 1    2    8   26 f   18.633   5.5977   2.8998   1.7681   1.7260   2.4491   4.1778   2.5554   16.895   6.5207   22.144   6.7460 -5.248528 9.382294 
1 1 1    2    8   27 o   57.303   2.0942   26.011   1.8800   26.138   2.6340   25.879   2.6842   57.179   2.9453   56.868   3.0185 0.3111343 4.217402 
1 1 1    2    8   28 o   33.008   2.9775   8.7884   1.5258   8.4753   2.1456   9.1088   2.1703   31.907   4.4021   33.150   4.2710 -1.242359 6.133469 
1 1 1    2    8   29 o   20.179   4.3786   3.4897   1.3466   3.9799   1.8860   2.9799   1.9234   21.180   5.5925   18.514   5.8869 2.665884 8.119871 
1 1 1    2    8   30 f   14.443   5.9518   1.0891   2.1789  -0.9340   3.2975   2.6570   2.9030   14.255   6.5306   18.122   7.0701 -3.867698 9.624674 
1 1 1    2    8   31 o   11.061   5.1841  -1.4626   2.2637  -4.4594   3.0996   1.9625   3.3137   10.942   5.3587   16.962   7.1880 -6.020657 8.965666 
1 1 1    2    8   32 o   13.195   5.5529   0.9056   1.9554   2.6721   2.8216  -0.7268   2.7123   17.154   6.8813   12.669   5.8471 4.485737 9.030046 
1 1 1    2    8   33 o   11.246   5.0493  -0.0265   1.8539  -1.1263   2.6481   1.0307   2.5963   11.804   5.5556   14.001   6.1465 -2.197351 8.285139 
1 1 1    2    8   34 o   12.177   5.1851   1.0454   1.7386   0.8862   2.4564   1.2053   2.4610   12.871   5.7928   13.262   5.8952 -0.3907385 8.265004 
1 1 1    2    9    0 o  293.162   2.0903  674.541   9.6156  674.541   9.6156  674.541   9.6156  293.162   2.0903  293.162   2.0903 0.000000 0.000000 
1 1 1    2    9    1 o  240.817   1.3558  455.087   5.1237  462.420   7.3177  448.035   7.1763  242.737   1.9210  238.932   1.9139 3.805145 2.711695 
1 1 1    2    9    2 o  325.478   1.5605  831.338   7.9707  843.047   11.381  820.067   11.166  327.740   2.2129  323.242   2.2013 4.497314 3.121288 
1 1 1    2    9    3 o  410.650   1.8023  1323.43   11.615  1339.68   16.594  1307.82   16.263  413.125   2.5596  408.184   2.5388 4.941376 3.605100 
1 1 1    2    9    4 o   95.697   1.3449   71.865   2.0197   74.341   2.8746   69.450   2.8384   97.326   1.8821   94.070   1.9227 3.256226 2.690538 
1 1 1    2    9    5 o  299.380   1.5022  703.361   7.0574  704.480   9.9912  702.246   9.9701  299.599   2.1251  299.123   2.1240 0.4754028 3.004500 
1 1 1    2    9    6 o  388.408   1.7426  1183.92   10.622  1183.23   15.016  1184.62   15.027  388.262   2.4645  388.490   2.4649 -0.2280273 3.485564 
1 1 1    2    9    7 o   81.927   1.7940   52.674   2.3065   53.001   3.2505   52.342   3.2735   82.136   2.5248   81.622   2.5588 0.5141449 3.594737 
1 1 1    2    9    8 o  149.144   1.9456  174.564   4.5538  178.836   6.1152  169.245   6.8228  150.949   2.5815  146.839   2.9609 4.109955 3.928211 
1 1 1    2    9    9 o  182.217   1.6728  260.552   4.7835  263.747   6.7385  257.307   6.7918  183.322   2.3423  181.069   2.3902 2.252777 3.346534 
1 1 1    2    9   10 o  745.965   3.1027  4367.65   36.321  4375.94   51.445  4359.42   51.287  746.557   4.3911  745.147   4.3859 1.410034 6.206267 
1 1 1    2    9   11 o  450.191   2.0729  1590.49   14.645  1595.43   20.749  1585.59   20.672  450.857   2.9326  449.464   2.9308 1.393250 4.146034 
1 1 1    2    9   12 o  278.765   1.5955  609.813   6.9799  611.552   9.8472  608.057   9.8951  279.149   2.2479  278.350   2.2653 0.7991638 3.191303 
1 1 1    2    9   13 o  455.278   1.9591  1626.71   13.997  1640.72   19.947  1613.12   19.646  457.191   2.7802  453.330   2.7616 3.860748 3.918648 
1 1 1    2    9   14 o  205.768   1.3805  332.259   4.4578  331.988   6.3060  332.530   6.3027  205.673   1.9538  205.841   1.9511 -0.1678772 2.761172 
1 1 1    2    9   15 o  382.583   1.8747  1148.81   11.256  1152.32   16.017  1145.39   15.821  383.112   2.6641  381.961   2.6394 1.150818 3.750157 
1 1 1    2    9   16 o   79.084   1.9465   49.097   2.4158   50.144   3.3475   47.960   3.4899   79.862   2.6748   78.090   2.8526 1.771347 3.910428 
1 1 1    2    9   17 o   26.620   4.4127   5.7280   1.7788   8.1095   2.6148   3.6763   2.4271   31.614   5.4682   21.532   6.5773 10.08202 8.553549 
1 1 1    2    9   18 o   20.657   5.3651   3.4984   1.7546   4.5024   2.5663   2.6172   2.4043   23.514   6.6559   19.091   6.5990 4.422771 9.372695 
1 1 1    2    9   19 o   80.740   1.7925   51.205   2.2712   53.491   3.2947   49.135   3.1352   82.439   2.5497   79.010   2.5318 3.429420 3.593234 
1 1 1    2    9   20 o   32.598   3.4610   8.4721   1.7435   8.1235   2.5192   8.7925   2.4154   31.585   5.2680   32.981   4.8081 -1.396490 7.132305 
1 1 1    2    9   21 o   70.724   1.8013   39.339   1.9976   39.876   2.7624   38.750   2.8921   71.132   2.4785   70.099   2.6337 1.032562 3.616515 
1 1 1    2    9   22 o   45.919   2.4757   16.656   1.7774   14.325   2.7698   18.288   2.3175   42.285   4.2308   48.036   3.0907 -5.750584 5.239458 
1 1 1    2    9   23 o   43.448   2.7758   14.963   1.8828   11.231   2.9248   17.605   2.4603   37.106   5.1623   47.039   3.3550 -9.932545 6.156695 
1 1 1    2    9   24 o   36.991   2.5363   10.859   1.4634   10.363   2.1013   11.326   2.0392   35.881   3.7889   37.596   3.4964 -1.714275 5.155591 
1 1 1    2    9   25 o   65.367   1.7660   33.693   1.8099   35.016   2.6275   32.498   2.4966   66.470   2.5235   64.040   2.4889 2.429367 3.544407 
1 1 1    2    9   26 o   24.577   3.4034   4.9169   1.2774   3.3476   1.8306   6.4065   1.7835   19.849   5.6224   27.881   4.2070 -8.032877 7.022110 
1 1 1    2    9   27 o   40.089   2.0309   12.747   1.2735   13.442   1.8064   12.061   1.7957   40.967   2.8271   38.753   2.9756 2.214550 4.104477 
1 1 1    2    9   28 f   26.586   4.6551   5.9874   1.8714   6.8188   2.6166   5.1167   2.6777   27.733   6.1711   23.805   6.8189 3.928440 9.196769 
1 1 1    2    9   29 o   19.129   5.0362   3.2208   1.5323   2.3179   2.1577   4.1394   2.1764   17.033   6.2135   21.330   6.1591 -4.297203 8.748851 
1 1 1    2    9   30 o   18.731   4.7829   3.1499   1.4107   2.0464   1.9388   4.3912   2.0563   15.815   5.8691   21.588   5.9017 -5.773705 8.323250 
1 1 1    2    9   31 o   24.134   3.7282   5.0234   1.3666   4.6646   1.7299   5.6191   2.2288   22.446   5.0353   24.002   5.9478 -1.555599 7.793015 
1 1 1    2    9   32 o   11.374   5.2138  -0.5950   2.1061  -0.7154   2.9503  -0.4699   3.0073   13.071   6.0558   13.403   6.1756 -0.3318691 8.649292 
1 1 1    2    9   33 o   13.848   5.7641   1.5375   2.0723   5.7040   2.9501  -2.5207   2.9116   21.212   7.3108   11.088   5.3770 10.12326 9.075229 
1 1 1    2   10    0 o  119.201   1.8762  111.585   3.5077  111.585   3.5077  111.585   3.5077  119.201   1.8762  119.201   1.8762 0.000000 0.000000 
1 1 1    2   10    1 o   62.729   1.7155   30.904   1.6872   30.437   2.3824   31.373   2.3897   62.223   2.4446   63.175   2.4148 -0.9519577 3.436176 
1 1 1    2   10    2 o  189.689   1.3581  282.362   4.0428  286.147   5.5568  278.107   5.8928  190.947   1.8544  188.242   1.9948 2.704514 2.723599 
1 1 1    2   10    3 o  194.830   1.3206  297.873   4.0377  295.587   5.6847  300.200   5.7361  194.071   1.8666  195.579   1.8689 -1.508163 2.641357 
1 1 1    2   10    4 o   75.390   1.6130   44.603   1.9084   42.677   2.6938   46.543   2.7039   73.702   2.3320   76.975   2.2408 -3.272980 3.234091 
1 1 1    2   10    5 o   85.822   1.5237   57.799   2.0521   59.873   2.9068   55.739   2.8975   87.343   2.1207   84.244   2.1935 3.098244 3.051047 
1 1 1    2   10    6 o  318.943   1.5779  798.274   7.8976  804.221   11.231  792.456   11.108  320.111   2.2357  317.761   2.2275 2.349823 3.155966 
1 1 1    2   10    7 f   44.321   2.6941   15.475   1.8650   18.835   2.8961   13.094   2.4377   48.832   3.8093   40.655   3.8674 8.177010 5.428453 
1 1 1    2   10    8 o  225.853   1.3981  400.275   4.9555  396.417   6.9782  404.200   7.0384  224.754   1.9785  226.950   1.9762 -2.195572 2.796396 
1 1 1    2   10    9 o  387.526   1.8924  1178.50   11.509  1192.28   15.412  1161.14   17.303  389.768   2.5197  384.632   2.8667 5.135834 3.816631 
1 1 1    2   10   10 o  181.275   1.4178  257.858   4.0332  260.245   5.9615  255.843   5.4769  182.105   2.0861  180.560   1.9329 1.544785 2.843882 
1 1 1    2   10   11 o  348.021   1.6647  950.455   9.0919  941.723   12.769  959.434   12.948  346.400   2.3490  349.642   2.3598 -3.241791 3.329652 
1 1 1    2   10   12 o  477.462   2.0366  1789.12   15.260  1780.49   21.492  1797.89   21.669  476.263   2.8756  478.583   2.8853 -2.319702 4.073538 
1 1 1    2   10   13 o  189.908   1.3962  283.013   4.1609  282.688   5.8844  283.339   5.8843  189.789   1.9757  190.008   1.9734 -0.2186432 2.792447 
1 1 1    2   10   14 o   19.047   5.5930   2.8984   1.7813   3.3331   2.5010   2.4509   2.5376   20.878   6.7206   19.042   6.7646 1.835663 9.535480 
1 1 1    2   10   15 o  226.976   1.5315  404.334   5.4553  402.056   7.6840  406.650   7.7462  226.308   2.1636  227.597   2.1688 -1.288971 3.063473 
1 1 1    2   10   16 o  112.518   1.7514   99.387   3.0924   92.652   4.2482  106.979   4.5103  108.611   2.4924  116.708   2.4626 -8.096718 3.503819 
1 1 1    2   10   17 o  135.713   1.6655  144.612   3.5472  144.143   4.9170  145.121   5.1223  135.452   2.3132  135.904   2.4017 -0.4522095 3.334519 
1 1 1    2   10   18 o   61.906   2.3967   30.167   2.3240   31.299   3.1737   28.858   3.4124   62.979   3.2219   60.421   3.6154 2.558372 4.842698 
1 1 1    2   10   19 o   59.064   2.3904   27.476   2.2111   26.136   3.1550   28.770   3.0995   57.476   3.5147   60.342   3.2856 -2.866386 4.811265 
1 1 1    2   10   20 o   85.661   1.8041   57.664   2.4252   57.764   3.4033   57.560   3.4568   85.635   2.5352   85.477   2.5800 0.1580353 3.617154 
1 1 1    2   10   21 o   50.183   2.3733   19.868   1.8637   19.774   2.6728   19.956   2.6001   49.916   3.4329   50.165   3.3215 -0.2484894 4.776739 
1 1 1    2   10   22 o   19.441   5.8231   3.0733   1.9155   3.6817   2.6551   2.4129   2.7662   21.515   6.9245   19.091   7.0237 2.424225 9.863056 
1 1 1    2   10   23 o   36.088   3.3917   10.413   1.8983   12.040   2.8654   9.1409   2.5341   38.479   4.8529   33.416   4.9847 5.063038 6.956879 
1 1 1    2   10   24 o   25.629   4.3452   5.4044   1.6853   2.1573   2.3894   8.6188   2.3773   17.752   6.5284   32.375   4.8264 -14.62347 8.118700 
1 1 1    2   10   25 o   26.426   4.1424   5.7424   1.6615   5.9917   2.3604   5.4976   2.3390   26.502   5.8339   25.332   5.9803 1.170141 8.354548 
1 1 1    2   10   26 o   47.629   2.4640   18.042   1.8355   19.847   2.6604   16.402   2.5356   49.656   3.4353   45.056   3.6164 4.599052 4.987898 
1 1 1    2   10   27 o   13.601   4.9421   1.3078   1.3632   1.4360   1.9683   1.1897   1.8897   15.187   5.8498   14.510   5.6915 0.6768713 8.161722 
1 1 1    2   10   28 o   27.881   3.0144   6.3167   1.2980   6.6254   1.8544   6.0203   1.8174   28.068   4.3509   26.668   4.5027 1.399561 6.261364 
1 1 1    2   10   29 o   22.269   4.2679   4.2717   1.4372   3.9060   1.7667   4.9873   2.4713   20.820   5.3716   22.998   6.5388 -2.177809 8.462290 
1 1 1    2   10   30 o   12.253   5.2462   0.4070   1.7973  -0.1350   2.4986   0.9882   2.5874   13.164   5.8900   14.805   6.3155 -1.640903 8.635790 
1 1 1    2   10   31 o   9.7378   4.4410  -0.5609   1.5023   1.1187   2.0893  -2.3588   2.1616   13.848   5.7778   9.8825   4.7527 3.965315 7.481372 
1 1 1    2   10   32 o   15.763   4.9496   2.3469   1.3636   4.4243   1.9475   0.3492   1.9098   20.976   5.7473   12.066   5.2849 8.909992 7.807851 
1 1 1    2   10   33 o   18.235   6.7650   4.1339   2.5755   4.7385   3.6313   3.5220   3.6535   18.284   7.6221   16.833   7.3428 1.450819 10.58364 
1 1 1    2   11    0 o   58.610   2.7172   27.132   2.4869   27.132   2.4869   27.132   2.4869   58.610   2.7172   58.610   2.7172 0.000000 0.000000 
1 1 1    2   11    1 o  214.984   1.3763  362.689   4.6434  361.274   6.5619  364.107   6.5718  214.554   1.9489  215.394   1.9442 -0.8397217 2.752829 
1 1 1    2   11    2 o  326.513   1.6044  836.635   8.2208  842.790   11.689  830.611   11.564  327.690   2.2730  325.315   2.2652 2.375977 3.208977 
1 1 1    2   11    3 o  274.698   1.4813  592.154   6.3858  584.008   8.9504  600.599   9.1137  272.788   2.0908  276.635   2.0993 -3.847443 2.962870 
1 1 1    2   11    4 o  195.892   1.3689  301.124   4.2082  299.005   5.9358  303.266   5.9668  195.193   1.9378  196.579   1.9342 -1.385895 2.737903 
1 1 1    2   11    5 f  125.258   1.4777  123.119   2.9047  115.487   4.2155  130.018   4.0080  121.307   2.2144  128.715   1.9842 -7.408226 2.973333 
1 1 1    2   11    6 o  355.857   1.6923  993.740   9.4507  983.354   13.262  1004.45   13.471  353.974   2.3875  357.751   2.3994 -3.777222 3.384865 
1 1 1    2   11    7 o  131.637   1.7864  135.982   3.6903  130.222   5.4146  140.979   5.0430  128.810   2.6786  134.028   2.3977 -5.217743 3.594932 
1 1 1    2   11    8 o  224.602   1.5335  395.857   5.4052  399.782   7.6576  391.960   7.6305  225.704   2.1620  223.485   2.1757 2.219147 3.067206 
1 1 1    2   11    9 o  114.406   1.6905  102.711   3.0352  104.671   4.1491  100.454   4.4515  115.488   2.2894  113.136   2.5073 2.352203 3.395236 
1 1 1    2   11   10 o  245.445   1.6940  472.751   6.5249  476.125   9.2803  469.453   9.1758  246.306   2.4009  244.574   2.3907 1.731735 3.388207 
1 1 1    2   11   11 o  128.126   1.7176  128.829   3.4535  130.765   4.9109  126.935   4.8574  129.077   2.4244  127.172   2.4339 1.904610 3.435375 
1 1 1    2   11   12 o   55.691   2.5630   24.395   2.2340   23.991   3.2061   24.777   3.1145   55.150   3.7263   56.063   3.5584 -0.9123993 5.152428 
1 1 1    2   11   13 f  105.433   1.7586   87.241   2.9097   83.003   4.2514   90.975   3.9909  102.793   2.6377  107.657   2.3622 -4.863899 3.540829 
1 1 1    2   11   14 o  216.082   1.5503  366.448   5.2569  366.412   7.4937  366.483   7.3765  216.046   2.2103  216.068   2.1755 -0.2247620E-01 3.101266 
1 1 1    2   11   15 o   44.438   3.0169   15.586   2.0914   16.192   3.0051   15.016   2.9125   45.166   4.2912   43.476   4.3262 1.689785 6.093447 
1 1 1    2   11   16 o   65.187   2.2539   33.418   2.3022   31.093   3.2925   35.643   3.2203   62.785   3.3538   67.262   3.0589 -4.476574 4.539228 
1 1 1    2   11   17 o   32.612   3.7728   8.4878   1.8952   9.9023   2.6865   7.0864   2.6741   35.055   5.0271   29.385   6.0019 5.669876 7.829108 
1 1 1    2   11   18 o  137.856   1.4964  149.231   3.2374  150.893   4.5977  147.597   4.5592  138.569   2.1143  137.047   2.1199 1.522430 2.994022 
1 1 1    2   11   19 o   13.997   5.5542   0.8375   1.8184   4.6494   2.5627  -3.0280   2.5806   23.771   6.6238   11.427   5.4103 12.34376 8.552575 
1 1 1    2   11   20 o   15.461   5.6699   1.5399   1.8003  -2.0865   2.5077   5.3964   2.5861   12.041   5.5803   25.461   6.4622 -13.41982 8.538164 
1 1 1    2   11   21 o   63.951   2.1342   32.219   2.1389   34.490   3.0588   30.046   2.9920   66.050   2.9585   61.615   3.1043 4.434921 4.288286 
1 1 1    2   11   22 o   40.188   3.4630   12.885   2.1627   13.686   2.7403   11.563   3.5216   41.249   4.2962   37.362   6.2252 3.886887 7.563778 
1 1 1    2   11   23 o   41.238   3.0230   13.539   1.9428   11.634   2.6603   15.716   2.8438   37.844   4.5720   44.180   4.1504 -6.335335 6.174868 
1 1 1    2   11   24 f   15.107   5.3375   1.6555   1.5780   0.8653   2.2082   2.4802   2.2560   14.879   6.0449   18.169   6.3850 -3.290346 8.792572 
1 1 1    2   11   25 o   19.585   5.2210   3.2538   1.6338   3.1436   2.2655   3.3732   2.3585   19.567   6.4038   20.168   6.5294 -0.6011257 9.145564 
1 1 1    2   11   26 o   65.276   2.0899   33.755   2.1381   27.943   3.2490   38.194   2.8396   58.859   3.5338   69.256   2.6174 -10.39680 4.397526 
1 1 1    2   11   27 o   18.275   5.4658   2.8605   1.6886   3.5816   2.4615   2.2194   2.3208   20.394   6.6752   17.346   6.4243 3.047493 9.264486 
1 1 1    2   11   28 o   12.612   5.3168   0.4086   1.7976   0.5536   2.6189   0.2794   2.4719   14.866   6.3481   14.149   6.1063 0.7173347 8.808274 
1 1 1    2   11   29 o   14.668   4.9104   1.8212   1.3299   2.2225   1.9015   1.4371   1.8606   16.262   5.8468   14.476   5.6565 1.786196 8.135133 
1 1 1    2   11   30 o   15.216   4.6548   2.0771   1.2150   2.4617   1.7603   1.7272   1.6791   16.422   5.6478   14.562   5.4504 1.859788 7.848878 
1 1 1    2   11   31 o   9.2727   4.3837  -1.4063   1.6824   0.2894   2.3501  -3.1890   2.4097   13.046   5.7822   9.8989   4.8211 3.147346 7.528420 
1 1 1    2   11   32 o   9.2159   4.3607  -1.2952   1.6717  -1.8727   2.1471  -0.4061   2.6639   10.027   4.7994   12.534   5.7885 -2.507458 7.519333 
1 1 1    2   11   33 o   12.165   4.8414   1.2635   1.3855   1.3149   1.8875   1.2034   2.0403   12.833   5.4311   12.824   5.5412 0.8899689E-02 7.758959 
1 1 1    2   12    0 o   90.950   3.3349   65.182   4.7453   65.182   4.7453   65.182   4.7453   90.950   3.3349   90.950   3.3349 -0.000000 0.000000 
1 1 1    2   12    1 o  326.871   2.3001  838.542   11.799  844.275   16.764  832.914   16.609  327.950   3.2573  325.736   3.2491 2.213593 4.600748 
1 1 1    2   12    2 o  164.594   1.9784  212.606   5.1102  219.313   7.3249  206.246   7.1327  167.157   2.7923  162.101   2.8039 5.056519 3.957156 
1 1 1    2   12    3 o  241.163   1.8446  456.412   6.9811  447.114   9.7330  466.263   10.019  238.679   2.5985  243.736   2.6193 -5.057083 3.689585 
1 1 1    2   12    4 o   98.985   1.8631   76.891   2.8942   72.851   4.0388   81.155   4.1494   96.306   2.6749  101.654   2.6032 -5.347488 3.732564 
1 1 1    2   12    5 o   58.892   2.3209   27.261   2.1408   29.576   2.9533   24.698   3.1076   61.307   3.0795   55.979   3.5559 5.328690 4.704037 
1 1 1    2   12    6 o  286.827   1.5539  645.581   6.9943  648.226   9.9165  642.963   9.8666  287.402   2.1987  286.233   2.1965 1.169037 3.107893 
1 1 1    2   12    7 o  176.325   1.5387  243.971   4.2577  248.605   6.5496  240.580   5.6031  177.982   2.3449  175.090   2.0392 2.892197 3.107569 
1 1 1    2   12    8 o  176.952   1.4358  245.708   3.9872  244.690   5.6287  246.733   5.6488  176.579   2.0313  177.314   2.0300 -0.7356720 2.871767 
1 1 1    2   12    9 o  334.278   1.7857  876.893   9.3674  868.980   12.288  887.870   14.473  332.750   2.3532  336.335   2.7422 -3.583984 3.613466 
1 1 1    2   12   10 o  144.638   1.4990  164.167   3.4024  164.854   4.8341  163.493   4.7897  144.932   2.1254  144.333   2.1146 0.5991364 2.998182 
1 1 1    2   12   11 o  162.606   1.4663  207.490   3.7417  204.431   5.2830  210.568   5.3001  161.394   2.0859  163.799   2.0619 -2.405273 2.932961 
1 1 1    2   12   12 o   58.097   2.5341   26.545   2.3048   24.770   3.1403   28.618   3.3933   56.047   3.5892   60.259   3.6048 -4.212013 5.086941 
1 1 1    2   12   13 o   79.373   1.9383   49.450   2.4144   47.809   3.4535   51.020   3.3766   77.978   2.8268   80.566   2.6744 -2.587395 3.891457 
1 1 1    2   12   14 o   38.588   3.7162   11.813   2.2226   13.925   3.2336   9.9211   3.0600   41.758   5.0360   35.028   5.7672 6.730118 7.656509 
1 1 1    2   12   15 o   47.044   2.8461   17.456   2.0914   16.701   2.9705   18.198   2.9449   45.870   4.1722   47.924   3.9508 -2.054390 5.745965 
1 1 1    2   12   16 o  126.881   1.5620  126.400   3.1102  126.749   4.4247  126.060   4.3728  127.015   2.2199  126.671   2.1998 0.3442307 3.125172 
1 1 1    2   12   17 o  110.947   1.6408   96.668   2.8569   94.926   4.0386   98.413   4.0419  109.894   2.3418  111.898   2.3017 -2.003799 3.283572 
1 1 1    2   12   18 o   48.986   2.7642   18.946   2.1163   21.288   2.9622   16.503   3.0246   51.821   3.6662   45.498   4.2866 6.322941 5.640565 
1 1 1    2   12   19 f   63.477   2.2543   31.736   2.2421   31.899   3.1881   31.576   3.1537   63.519   3.2087   63.199   3.1902 0.3198624 4.524725 
1 1 1    2   12   20 o   41.319   3.1423   13.551   2.0223   11.770   2.8397   15.383   2.8806   38.172   4.8497   43.846   4.2393 -5.674000 6.441341 
1 1 1    2   12   21 o   28.810   4.5138   6.7589   1.9738   6.1583   2.7956   7.3559   2.7872   27.070   6.6336   29.696   6.1821 -2.625898 9.067691 
1 1 1    2   12   22 o   56.089   2.5139   24.878   2.2071   20.047   3.1360   29.620   3.1070   50.017   4.0294   61.058   3.2543 -11.04072 5.179434 
1 1 1    2   12   23 o   38.925   3.2235   12.115   1.9515   9.5932   2.6868   14.930   2.8391   34.075   5.1880   42.960   4.2675 -8.885315 6.717637 
1 1 1    2   12   24 o   23.180   5.1784   4.5433   1.8362   5.1078   2.5765   3.9607   2.6174   24.320   6.5888   21.716   6.8627 2.603991 9.513594 
1 1 1    2   12   25 o   43.362   3.1332   15.088   2.1177   17.581   2.9592   12.471   3.0319   46.474   4.0995   38.678   5.1207 7.796173 6.559512 
1 1 1    2   12   26 o   39.392   3.4267   12.569   2.0973   10.877   2.8761   14.490   3.0648   35.868   5.2663   41.737   4.7645 -5.868549 7.101702 
1 1 1    2   12   27 o   13.690   5.3791   1.0705   1.6904  -0.1023   2.3960   2.2326   2.3851   13.535   5.9243   17.362   6.4965 -3.826604 8.792152 
1 1 1    2   12   28 o   26.235   4.3370   5.8793   1.7232   9.6968   2.4757   2.2915   2.4000   33.531   4.8451   17.182   6.4980 16.34891 8.105492 
1 1 1    2   12   29 f   14.990   5.3017   1.8963   1.5573   0.3848   2.2145   3.3750   2.1903   13.260   5.7510   18.901   6.3014 -5.641642 8.531197 
1 1 1    2   12   30 o   23.932   5.3109   5.3944   1.9424   5.8788   2.8460   4.9720   2.6577   23.443   7.1147   21.723   6.9214 1.720097 9.925926 
1 1 1    2   12   31 f   10.610   4.4579   0.4439   1.2570   0.6120   1.8181   0.2900   1.7398   12.325   5.2768   11.619   5.0678 0.7061119 7.316200 
1 1 1    2   12   32 o   17.388   5.1580   3.0731   1.5086   2.3020   1.8591   4.5597   2.5814   15.146   5.7210   19.439   6.8301 -4.293942 8.909566 
1 1 1    2   12   33 o   20.759   5.9501   5.0419   2.0383   5.5311   2.8582   4.5357   2.9075   19.586   7.1503   17.770   7.0321 1.816319 10.02881 
1 1 1    2   13    0 o  549.412   3.2308  2369.17   27.854  2369.17   27.854  2369.17   27.854  549.412   3.2308  549.412   3.2308 0.000000 0.000000 
1 1 1    2   13    1 o   36.157   3.5769   10.363   2.0030   9.0109   2.8354   11.710   2.8300   33.418   5.6049   38.316   4.8124 -4.897888 7.387446 
1 1 1    2   13    2 o  189.121   1.4608  280.664   4.3355  281.789   6.1543  279.556   6.1086  189.492   2.0696  188.740   2.0624 0.7521515 2.921727 
1 1 1    2   13    3 o  210.975   1.4690  349.276   4.8638  351.026   6.8858  347.533   6.8710  211.495   2.0747  210.440   2.0806 1.055038 2.938205 
1 1 1    2   13    4 o  109.252   1.6525   93.665   2.8332   92.234   4.0033   95.101   4.0102  108.409   2.3531  110.082   2.3214 -1.672531 3.305454 
1 1 1    2   13    5 o   33.534   4.1241   8.9619   2.1247   16.071   3.0381   2.1559   2.9725   45.034   4.3531   19.320   7.2478 25.71327 8.454534 
1 1 1    2   13    6 o  135.516   1.5885  144.110   3.3781  146.994   4.8367  141.363   4.7202  136.859   2.2520  134.212   2.2411 2.647156 3.177124 
1 1 1    2   13    7 o  170.370   1.9239  227.786   5.1438  229.836   7.4293  225.898   7.1287  171.123   2.7665  169.652   2.6776 1.470718 3.850094 
1 1 1    2   13    8 o  164.306   1.6097  211.853   4.1505  211.276   5.9171  212.412   5.8234  164.072   2.2981  164.514   2.2556 -0.4413605 3.220104 
1 1 1    2   13    9 o  212.196   1.9809  353.376   6.5964  338.206   8.7926  372.906   9.9765  207.574   2.6992  217.956   2.9168 -10.38193 3.974087 
1 1 1    2   13   10 o  304.723   1.7506  728.715   8.3715  735.773   11.951  721.915   11.730  306.169   2.4874  303.273   2.4647 2.895996 3.501689 
1 1 1    2   13   11 f   65.214   2.5135   33.434   2.5675   38.146   3.6870   28.997   3.5774   69.615   3.3850   60.644   3.7778 8.971142 5.072482 
1 1 1    2   13   12 o  103.379   1.9791   83.887   3.2108   80.844   4.7572   86.433   4.3513  101.419   2.9923  104.887   2.6457 -3.468567 3.994164 
1 1 1    2   13   13 o  118.988   2.0174  111.151   3.7671  109.919   5.6354  112.147   5.0650  118.248   3.0394  119.495   2.7010 -1.246941 4.066103 
1 1 1    2   13   14 o   41.949   3.7869   13.957   2.4662   14.031   3.4475   13.880   3.5293   41.835   5.3752   41.577   5.5474 0.2577934 7.724453 
1 1 1    2   13   15 o   9.0208   4.4572  -5.1855   2.3052  -7.1953   3.2403  -3.1259   3.2802   10.729   5.2983   13.479   6.2921 -2.749318 8.225704 
1 1 1    2   13   16 o   26.651   5.8742   5.8492   2.3905   4.8906   3.3426   6.8527   3.4201   24.809   7.7435   28.776   7.4990 -3.967056 10.77941 
1 1 1    2   13   17 o   63.920   2.8512   32.222   2.8528   36.011   3.9637   28.150   4.1092   67.461   3.7589   59.513   4.4316 7.947575 5.811093 
1 1 1    2   13   18 o   44.191   3.5232   15.508   2.4231   19.338   3.3140   11.109   3.5519   49.243   4.3327   36.778   6.3856 12.46490 7.716722 
1 1 1    2   13   19 o   59.657   2.7799   28.107   2.5954   27.970   3.5064   28.274   3.8599   59.347   3.7847   59.598   4.1530 -0.2511177 5.618841 
1 1 1    2   13   20 o   20.457   6.1074   3.4121   2.1098   5.4004   2.9042   1.1905   3.0700   25.418   7.0396   17.651   7.1434 7.767015 10.02919 
1 1 1    2   13   21 o   13.209   5.7316  -0.2469   2.2018   0.4214   2.8203  -1.2899   3.5233   15.878   6.6748   15.615   6.9899 0.2628145 9.664954 
1 1 1    2   13   22 f   27.120   4.9875   6.0979   2.0445   5.8521   2.8476   6.3593   2.9371   26.178   6.8528   27.270   6.8680 -1.092388 9.702076 
1 1 1    2   13   23 o   49.581   2.7898   19.554   2.1619   19.701   3.0084   19.396   3.1090   49.450   3.9084   49.006   4.0796 0.4440308 5.649711 
1 1 1    2   13   24 o   16.997   5.8539   2.2377   1.8914   2.0324   2.5816   2.4756   2.7790   17.659   6.7251   18.788   7.0161 -1.128838 9.718626 
1 1 1    2   13   25 o   53.222   2.5799   22.571   2.1484   24.445   3.0061   20.615   3.0715   55.046   3.4980   50.356   3.9176 4.690269 5.252033 
1 1 1    2   13   26 o   12.755   5.3673   0.3749   1.8265   3.1782   2.6182  -2.2824   2.5492   19.637   6.8803   11.626   5.4654 8.010795 8.786882 
1 1 1    2   13   27 o   37.444   3.3153   11.442   1.9280   12.682   2.7023   10.156   2.7516   38.821   4.5202   34.275   5.2854 4.546120 6.954669 
1 1 1    2   13   28 o   15.020   5.8169   1.6141   1.9539   0.5445   2.7063   2.7787   2.8239   14.686   6.3637   18.261   7.0139 -3.575118 9.470588 
1 1 1    2   13   29 o   30.716   3.7884   8.0686   1.7875   10.303   2.5767   5.9956   2.4817   33.790   5.0107   24.609   6.3753 9.181475 8.108791 
1 1 1    2   13   30 f   14.573   5.3451   1.8455   1.6001   3.9194   2.2601  -0.2384   2.2656   19.542   6.3962   12.214   5.5241 7.327934 8.451468 
1 1 1    2   13   31 o   10.940   4.7292   0.3261   1.4874  -3.2072   2.1113   3.8075   2.0958   8.9590   4.3949   19.035   6.1543 -10.07564 7.562418 
1 1 1    2   13   32 o   10.073   4.6460  -0.3920   1.7080  -0.9768   2.5032   0.1174   2.3363   11.187   5.3061   11.949   5.4827 -0.7613211 7.629800 
1 1 1    2   14    0 o  138.379   2.4390  150.406   5.2927  150.406   5.2927  150.406   5.2927  138.379   2.4390  138.379   2.4390 0.000000 0.000000 
1 1 1    2   14    1 o  454.522   2.0298  1621.24   14.478  1636.47   20.639  1606.49   20.315  456.618   2.8802  452.418   2.8613 4.200562 4.059891 
1 1 1    2   14    2 o  311.754   1.6783  762.684   8.2107  769.127   11.676  756.381   11.548  313.053   2.3767  310.448   2.3704 2.604553 3.356692 
1 1 1    2   14    3 f   90.549   2.0729   64.344   2.9455   60.546   4.1492   68.202   4.1822   87.776   3.0166   93.174   2.8636 -5.397125 4.159387 
1 1 1    2   14    4 o  106.983   1.9904   89.820   3.3416   93.717   4.7879   86.119   4.6660  109.236   2.7953  104.710   2.8422 4.526070 3.986464 
1 1 1    2   14    5 o  188.232   1.7673  278.046   5.2204  277.189   7.3908  278.899   7.3749  187.930   2.5060  188.509   2.4930 -0.5789337 3.534841 
1 1 1    2   14    6 o  218.170   1.7743  373.531   6.0749  386.265   8.7537  361.701   8.4374  221.842   2.5144  214.673   2.5045 7.169434 3.548947 
1 1 1    2   14    7 o   79.169   2.7183   49.256   3.3722   44.784   4.3221   56.214   5.3911   75.434   3.6620   84.508   4.0771 -9.073723 5.480286 
1 1 1    2   14    8 o  211.992   1.7690  352.686   5.8851  346.106   8.2415  359.533   8.4066  209.988   2.5010  214.023   2.5030 -4.034363 3.538303 
1 1 1    2   14    9 o   54.574   3.2586   23.467   2.7780   27.200   3.7197   18.759   4.1775   58.708   4.0624   48.532   5.5869 10.17589 6.907751 
1 1 1    2   14   10 o  142.001   1.7078  158.254   3.8058  156.132   5.2777  160.553   5.4932  141.031   2.3846  143.012   2.4476 -1.981094 3.417230 
1 1 1    2   14   11 o  118.784   1.7824  110.747   3.3226  110.464   4.6075  111.053   4.7960  118.615   2.4752  118.928   2.5697 -0.3134995 3.567949 
1 1 1    2   14   12 o   90.504   1.9458   64.304   2.7636   64.304   3.8836   64.305   3.9336   90.440   2.7395   90.438   2.7749 0.1823425E-02 3.899350 
1 1 1    2   14   13 o   25.017   5.6878   5.1370   2.1823   4.7155   3.0469   5.5810   3.1271   24.309   7.3582   26.168   7.3263 -1.858549 10.38350 
1 1 1    2   14   14 o  117.479   1.7135  108.372   3.1590  107.196   4.4650  109.552   4.4700  116.795   2.4361  118.074   2.4124 -1.278564 3.428420 
1 1 1    2   14   15 f   69.268   2.2937   37.749   2.4898   39.447   3.5121   36.034   3.5303   70.725   3.1725   67.570   3.3396 3.154465 4.606243 
1 1 1    2   14   16 o   74.430   2.1902   43.583   2.5554   44.935   3.6206   42.241   3.6072   75.483   3.0629   73.170   3.1488 2.312454 4.392756 
1 1 1    2   14   17 o   75.189   2.3682   44.516   2.7909   41.260   3.9969   47.614   3.8987   72.226   3.5371   77.653   3.2062 -5.426941 4.773963 
1 1 1    2   14   18 o   37.008   4.2205   10.987   2.4074   7.6611   3.4345   14.199   3.3753   30.223   7.3199   41.915   5.2460 -11.69198 9.005648 
1 1 1    2   14   19 o   46.286   3.4142   17.027   2.4626   18.285   3.5160   15.816   3.4500   47.700   4.7607   44.259   5.0580 3.440632 6.946013 
1 1 1    2   14   20 o   22.613   6.1444   4.2676   2.2367   3.8397   3.2102   4.6714   3.1182   22.344   7.6286   23.898   7.4821 -1.553930 10.68542 
1 1 1    2   14   21 f   13.857   5.9911  -0.1544   2.3881   1.4208   3.3619  -1.7588   3.3930   18.440   7.4708   14.766   6.7106 3.674418 10.04216 
1 1 1    2   14   22 f   60.534   2.3969   29.006   2.2725   25.853   3.1930   32.242   3.2351   56.829   3.5988   63.598   3.2522 -6.768795 4.850554 
1 1 1    2   14   23 o   17.648   6.1579   2.3809   2.0960   1.1456   2.9188   3.6960   3.0118   16.884   6.9156   21.420   7.3866 -4.536215 10.11866 
1 1 1    2   14   24 o   15.954   6.0730   1.6364   2.1047   4.8014   2.9424  -1.6794   3.0117   23.440   7.2571   13.583   6.2299 9.856315 9.564335 
1 1 1    2   14   25 o   16.152   6.0821   1.7874   2.0975   3.4351   2.9745   0.1576   2.9582   20.534   7.3207   15.370   6.6566 5.164408 9.894602 
1 1 1    2   14   26 o   10.888   4.9955  -1.1127   1.9390  -0.7014   2.6570  -1.5813   2.8361   13.457   6.0434   12.997   5.9918 0.4600906 8.510237 
1 1 1    2   14   27 o   19.707   5.8109   3.5096   1.9194   2.5675   2.7107   4.4570   2.7183   18.042   6.8863   21.788   7.0058 -3.745979 9.823556 
1 1 1    2   14   28 o   29.903   4.1133   7.6925   1.8791   8.0742   2.6541   7.3089   2.6609   29.312   5.9728   27.601   6.2845 1.711121 8.670014 
1 1 1    2   14   29 o   20.730   5.4256   4.1091   1.7852   2.8310   2.5109   5.4155   2.5387   17.387   6.6297   22.863   6.6669 -5.476473 9.402194 
1 1 1    2   14   30 o   13.443   5.3211   1.3573   1.6651   2.7984   2.3698  -0.0480   2.3402   16.967   6.4476   12.516   5.6418 4.450703 8.567426 
1 1 1    2   14   31 o   13.881   5.4539   1.7068   1.7377   0.0476   2.4171   3.4817   2.5000   12.359   5.6352   17.540   6.6322 -5.180787 8.703005 
1 1 1    2   14   32 o   12.686   5.0472   1.4957   1.5053   4.0112   2.1707  -0.8349   2.0894   17.913   6.2656   10.311   4.8777 7.602309 7.940388 
1 1 1    2   15    0 o  454.213   3.0969  1619.36   22.072  1619.36   22.072  1619.36   22.072  454.213   3.0969  454.213   3.0969 -0.000000 0.000000 
1 1 1    2   15    1 f  203.932   1.8326  326.370   5.8650  332.944   8.3612  320.003   8.2293  205.961   2.5869  201.919   2.5970 4.042480 3.665577 
1 1 1    2   15    2 o  363.428   2.0749  1036.56   11.833  1026.24   16.630  1047.15   16.843  361.580   2.9307  365.245   2.9384 -3.664185 4.150108 
1 1 1    2   15    3 f  191.441   1.8034  287.615   5.4179  291.042   7.6844  284.228   7.6401  192.564   2.5429  190.296   2.5584 2.268051 3.607138 
1 1 1    2   15    4 o  149.044   2.2299  174.346   5.2157  181.048   7.9365  169.251   6.9199  151.859   3.3303  146.835   3.0030 5.023483 4.484310 
1 1 1    2   15    5 o  206.575   1.8629  334.895   6.0391  341.188   8.9365  329.606   8.1929  208.485   2.7314  204.921   2.5477 3.564240 3.735138 
1 1 1    2   15    6 o   85.441   2.4506   57.346   3.2825   57.075   4.6387   57.617   4.6455   85.189   3.4771   85.594   3.4656 -0.4048386 4.909246 
1 1 1    2   15    7 o  131.672   2.1156  136.075   4.3715  130.002   6.5924  140.841   5.8401  128.636   3.2683  133.946   2.7783 -5.309769 4.289658 
1 1 1    2   15    8 o   87.143   2.2953   59.650   3.1362   60.118   4.5126   59.212   4.3617   87.436   3.2946   86.779   3.2084 0.6572266 4.598721 
1 1 1    2   15    9 o  185.987   1.8878  271.504   5.5099  272.808   7.5477  270.017   8.0620  186.408   2.5801  185.444   2.7703 0.9640045 3.785695 
1 1 1    2   15   10 o   41.090   4.0175   13.398   2.5575   10.720   3.7112   15.820   3.5293   36.293   6.7650   44.543   5.1434 -8.250256 8.498182 
1 1 1    2   15   11 o  215.726   1.5729  365.296   5.3249  371.648   7.5756  359.093   7.4862  217.554   2.2189  213.847   2.2308 3.707108 3.146402 
1 1 1    2   15   12 o  104.376   1.8695   85.544   3.0622   88.640   4.3315   82.449   4.3298  106.213   2.5987  102.395   2.6969 3.817253 3.745159 
1 1 1    2   15   13 o   67.490   2.4356   35.842   2.5754   41.183   3.6401   30.489   3.6441   72.279   3.2172   62.109   3.7563 10.17006 4.945773 
1 1 1    2   15   14 f   42.737   3.5110   14.482   2.3340   14.954   3.3143   14.017   3.2875   43.212   4.9783   41.793   5.1192 1.418621 7.140708 
1 1 1    2   15   15 o   55.016   2.8107   23.881   2.4186   22.895   3.4020   24.887   3.4391   53.702   4.0671   56.022   3.9368 -2.319885 5.660368 
1 1 1    2   15   16 o  104.917   1.8528   86.503   3.0506   83.615   4.2969   89.439   4.3316  103.032   2.6597  106.604   2.5892 -3.571449 3.711895 
1 1 1    2   15   17 o   37.143   4.0184   11.043   2.3050   14.163   3.2979   8.0630   3.2229   41.892   5.1230   31.097   6.7947 10.79544 8.509551 
1 1 1    2   15   18 o   69.485   2.3814   38.064   2.5929   36.899   3.6484   39.253   3.6858   68.241   3.4177   70.403   3.3456 -2.162369 4.782696 
1 1 1    2   15   19 o   46.273   3.2198   17.011   2.3236   14.806   3.2152   19.423   3.3617   42.799   4.8738   49.210   4.3995 -6.410694 6.565805 
1 1 1    2   15   20 o   19.375   6.2342   2.9988   2.1523   2.1789   2.9862   3.8851   3.1048   18.939   7.2280   22.225   7.5034 -3.286076 10.41844 
1 1 1    2   15   21 o   9.5083   4.6267  -3.7762   2.2054  -6.6948   3.4341  -1.7276   2.8771   11.332   5.5683   13.354   6.1112 -2.021668 8.267615 
1 1 1    2   15   22 f   54.702   2.7650   23.802   2.3659   28.391   3.4927   19.911   3.2162   59.423   3.7648   49.581   4.1722 9.841801 5.619648 
1 1 1    2   15   23 o   48.858   3.0431   19.108   2.3216   18.881   3.1978   19.360   3.3760   48.108   4.2804   48.634   4.4735 -0.5259438 6.191433 
1 1 1    2   15   24 o   18.926   6.3311   2.9607   2.2108   0.8301   3.1650   4.9907   3.0893   16.722   7.0526   23.716   7.4505 -6.993401 10.25910 
1 1 1    2   15   25 o   18.798   6.3529   2.9620   2.2257   0.8880   3.1208   5.1087   3.1751   16.547   6.9922   23.712   7.5662 -7.164433 10.30236 
1 1 1    2   15   26 o   39.982   3.4210   13.084   2.1258   12.649   3.0138   13.516   2.9990   38.348   5.1371   39.805   4.9046 -1.457661 7.102464 
1 1 1    2   15   27 o   9.1210   4.4305  -2.9489   1.9985  -5.0678   2.6828  -0.3069   2.9958   9.7461   4.8142   14.224   6.4000 -4.477992 8.008514 
1 1 1    2   15   28 o   10.702   4.9727  -1.1153   2.0111  -2.7329   2.8262   0.5438   2.8622   11.396   5.4686   14.548   6.4175 -3.151665 8.431456 
1 1 1    2   15   29 o   23.721   5.6123   5.4806   2.0564   8.6081   2.9141   2.3784   2.9023   28.922   6.5704   16.676   6.8702 12.24592 9.506313 
1 1 1    2   15   30 o   17.464   5.6687   3.0742   1.7771   2.4544   2.5135   3.6937   2.5129   16.158   6.4902   18.439   6.7086 -2.281433 9.334237 
1 1 1    2   15   31 o   9.1929   4.3475  -1.0396   1.6575  -3.4751   2.3578   1.3396   2.3305   9.1167   4.5052   13.448   5.8652 -4.330957 7.395778 
1 1 1    2   16    0 o  125.605   2.7249  123.991   5.3654  123.991   5.3654  123.991   5.3654  125.605   2.7249  125.605   2.7249 0.000000 0.000000 
1 1 1    2   16    1 o  298.651   1.7079  699.958   8.0046  704.311   11.351  695.652   11.290  299.555   2.4145  297.707   2.4166 1.847290 3.416132 
1 1 1    2   16    2 o  175.281   1.6781  241.107   4.6158  247.726   6.5562  234.602   6.4997  177.657   2.3516  172.886   2.3957 4.771072 3.356970 
1 1 1    2   16    3 o  168.081   1.6860  221.708   4.4472  216.898   6.2307  226.702   6.3496  166.235   2.3884  169.951   2.3808 -3.715591 3.372328 
1 1 1    2   16    4 o   57.434   3.1633   25.976   2.8401   26.916   4.0044   25.025   4.0287   58.371   4.4039   56.252   4.6040 2.119110 6.371134 
1 1 1    2   16    5 f  141.619   1.8289  157.404   4.0646  149.713   5.8774  164.454   5.6271  138.098   2.7120  144.743   2.4773 -6.644669 3.673150 
1 1 1    2   16    6 o  164.469   1.8803  212.304   4.8531  213.505   6.5982  210.890   7.1631  164.915   2.5495  163.894   2.7850 1.020737 3.775791 
1 1 1    2   16    7 o   79.348   2.4231   49.474   3.0137   48.727   4.2852   50.205   4.2392   78.686   3.4789   79.878   3.3895 -1.192368 4.857151 
1 1 1    2   16    8 o  224.548   1.6099  395.743   5.6729  389.942   7.9842  401.658   8.0617  222.865   2.2829  226.189   2.2712 -3.324097 3.220217 
1 1 1    2   16    9 o  173.105   1.8722  235.237   5.0859  236.687   7.1390  233.743   7.2472  173.598   2.6205  172.512   2.6770 1.086441 3.746111 
1 1 1    2   16   10 o  197.126   1.6133  305.044   4.9908  303.055   7.0406  307.053   7.0755  196.436   2.2839  197.728   2.2802 -1.291748 3.227355 
1 1 1    2   16   11 o  120.140   1.8841  113.346   3.5522  117.686   4.8912  108.503   5.1671  122.377   2.5469  117.488   2.8025 4.889694 3.786931 
1 1 1    2   16   12 o   38.106   4.3412   11.599   2.5498   13.566   3.5150   9.4129   3.7044   41.035   5.6047   33.771   7.2092 7.264027 9.131519 
1 1 1    2   16   13 o  111.378   1.9643   97.458   3.4334  101.798   4.8101   92.950   4.9023  113.769   2.6941  108.657   2.8775 5.111847 3.941901 
1 1 1    2   16   14 o  121.970   1.9071  116.893   3.6503  116.839   5.0733  116.951   5.2562  121.863   2.6529  121.910   2.7475 -0.4672241E-01 3.819197 
1 1 1    2   16   15 o   38.545   4.1914   11.886   2.4945   14.076   3.4544   9.4990   3.6061   41.746   5.3993   33.820   7.0244 7.925770 8.859687 
1 1 1    2   16   16 o   26.849   5.9494   5.9825   2.4407   4.6402   3.4501   7.3272   3.4532   24.250   7.9006   29.555   7.4490 -5.305182 10.85850 
1 1 1    2   16   17 o  103.743   2.0756   84.678   3.3792   81.272   4.8034   88.015   4.7548  101.437   3.0208  105.598   2.8719 -4.161201 4.168153 
1 1 1    2   16   18 f   32.306   5.0819   8.5345   2.4914   4.4588   3.5416   12.527   3.5054   23.852   8.0137   39.054   5.9037 -15.20214 9.953568 
1 1 1    2   16   19 o   54.818   3.1243   23.865   2.6765   23.887   3.7750   23.842   3.7955   54.510   4.4517   54.450   4.4815 0.6003571E-01 6.316789 
1 1 1    2   16   20 o   31.282   5.3497   8.1287   2.5319   10.715   3.5257   5.3740   3.6383   35.603   6.5516   25.299   8.1022 10.30364 10.41969 
1 1 1    2   16   21 o   28.366   6.1688   6.8823   2.6677   1.2119   3.7859   12.474   3.7595   18.747   7.7961   38.307   6.4849 -19.56065 10.14069 
1 1 1    2   16   22 o   32.833   5.0848   9.0074   2.5353   8.0258   3.4847   10.111   3.6956   30.049   7.4317   33.918   7.1678 -3.868771 10.32507 
1 1 1    2   16   23 o   31.679   5.0238   8.4398   2.4142   8.4670   3.3940   8.4119   3.4349   30.778   7.1618   30.632   7.2575 0.1459999 10.19621 
1 1 1    2   16   24 o   25.799   5.8265   5.8303   2.3030   6.4982   3.2732   5.1755   3.2409   26.595   7.5130   23.934   7.6451 2.661646 10.71876 
1 1 1    2   16   25 o   15.482   6.1774   1.3868   2.2615   0.1321   3.2129   2.6189   3.1838   15.639   6.8523   18.984   7.4048 -3.345820 10.08884 
1 1 1    2   16   26 o   20.179   6.1636   3.7572   2.1314   7.7585   3.0575  -0.0254   2.9727   28.450   6.9163   14.627   6.4920 13.82300 9.485811 
1 1 1    2   16   27 o   22.527   5.9159   4.8547   2.1178   4.5989   2.9208   5.1382   3.0752   21.223   7.2759   22.201   7.4674 -0.9783115 10.42597 
1 1 1    2   16   28 o   10.789   5.1252  -1.8777   2.3531  -3.0870   3.0754  -0.1702   3.6545   11.575   5.5922   14.838   6.8262 -3.262938 8.824392 
1 1 1    2   16   29 o   11.750   5.2521   0.0060   1.9814   1.3718   2.7107  -1.5610   2.9035   14.884   6.4086   12.154   5.7496 2.730048 8.609812 
1 1 1    2   16   30 o   14.653   5.7002   2.0508   1.8828   3.5545   2.6283   0.4657   2.6983   17.530   6.7579   13.214   5.9972 4.316095 9.035277 
1 1 1    2   16   31 o   9.0286   4.3669  -1.7234   1.8889   1.4816   2.7250  -4.6872   2.6205   13.570   6.1050   8.9139   4.4602 4.656251 7.560696 
1 1 1    2   17    0 o   84.329   3.7899   56.167   4.9924   56.167   4.9924   56.167   4.9924   84.329   3.7899   84.329   3.7899 -0.000000 0.000000 
1 1 1    2   17    1 o  121.155   2.0972  115.212   3.9874  117.215   5.6501  113.225   5.6281  122.184   2.9467  120.085   2.9865 2.098106 4.195506 
1 1 1    2   17    2 o  196.718   1.7357  303.714   5.3583  306.750   7.6003  300.714   7.5553  197.676   2.4500  195.721   2.4599 1.954880 3.471808 
1 1 1    2   17    3 o   90.493   2.4195   64.332   3.4328   66.243   4.8416   62.399   4.8680   91.779   3.3673   89.065   3.4896 2.713974 4.849328 
1 1 1    2   17    4 o   68.135   2.8883   36.519   3.0813   37.075   4.4089   35.988   4.3082   68.564   4.1165   67.551   4.0831 1.013664 5.798056 
1 1 1    2   17    5 f   88.157   2.3194   61.056   3.2059   59.475   4.5449   62.621   4.5229   86.949   3.3370   89.230   3.2354 -2.280548 4.647942 
1 1 1    2   17    6 o   61.214   3.4608   29.537   3.3110   28.821   4.7334   30.222   4.6331   60.308   5.0477   61.792   4.8158 -1.484604 6.976504 
1 1 1    2   17    7 o   98.527   2.0913   76.218   3.2336   79.988   4.6182   72.593   4.5292  100.863   2.9207   96.077   3.0077 4.785866 4.192441 
1 1 1    2   17    8 o   49.655   3.4069   19.476   2.6387   21.925   3.7519   17.079   3.7117   52.567   4.5943   46.259   5.2031 6.307758 6.941175 
1 1 1    2   17    9 o   53.935   3.5788   22.989   3.0119   18.215   4.2778   27.682   4.2415   47.656   5.8420   59.083   4.6110 -11.42636 7.442504 
1 1 1    2   17   10 o  149.704   1.7303  175.987   4.0650  172.876   5.7259  179.148   5.7721  148.316   2.4601  150.985   2.4361 -2.668518 3.462136 
1 1 1    2   17   11 o  134.063   1.7572  141.155   3.6968  146.094   5.2693  136.367   5.1879  136.328   2.4630  131.707   2.5100 4.620773 3.516589 
1 1 1    2   17   12 o   36.070   4.7898   10.465   2.6443   11.324   3.6448   9.5101   3.8423   37.207   6.4774   33.857   7.4356 3.350559 9.861259 
1 1 1    2   17   13 o   42.909   4.0160   14.666   2.6728   19.013   3.6815   9.8203   3.8868   48.755   4.8771   34.364   7.4247 14.39079 8.883209 
1 1 1    2   17   14 o   47.170   3.7382   17.682   2.7445   16.371   3.7103   19.265   4.0784   45.070   5.3501   48.929   5.4012 -3.859253 7.602410 
1 1 1    2   17   15 o   41.096   4.4257   13.545   2.8093   9.3817   3.8818   18.124   4.0707   33.420   7.5769   47.341   5.5868 -13.92112 9.413884 
1 1 1    2   17   16 o   19.564   6.9974   2.6860   2.7198   3.0865   3.8456   2.2852   3.8472   21.987   8.2447   20.794   8.1313 1.193346 11.57985 
1 1 1    2   17   17 o   68.342   2.7291   36.909   2.9210   35.394   4.1771   38.358   4.0862   66.648   4.0124   69.455   3.7630 -2.806862 5.500875 
1 1 1    2   17   18 o   24.224   6.4167   4.9460   2.4778   6.0018   3.4605   3.8354   3.5494   26.623   7.7896   22.629   8.0040 3.994110 11.16876 
1 1 1    2   17   19 o   36.289   4.3945   10.700   2.4517   10.077   3.3946   11.379   3.5447   34.531   6.5029   36.795   6.3694 -2.263672 9.102533 
1 1 1    2   17   20 o   17.830   6.3929   2.3224   2.2716   3.0076   3.2675   1.6815   3.1603   20.553   7.6207   18.242   7.2945 2.311083 10.54916 
1 1 1    2   17   21 o   31.294   6.2990   8.4347   2.9863   10.404   4.2667   6.5437   4.1810   34.001   8.1103   27.111   8.6858 6.889971 11.88367 
1 1 1    2   17   22 o   59.615   2.8987   28.408   2.7037   32.482   3.7970   24.217   3.8509   63.328   3.8387   54.293   4.5618 9.034149 5.962048 
1 1 1    2   17   23 o   38.036   4.4148   11.992   2.5863   10.386   3.6504   13.612   3.6649   34.009   7.0707   39.668   6.0809 -5.658985 9.325877 
1 1 1    2   17   24 f   22.316   6.2152   4.4681   2.2569  -1.6329   3.1579   10.838   3.2267   13.738   6.3292   35.053   6.0865 -21.31520 8.780962 
1 1 1    2   17   25 o   22.472   6.0899   4.6284   2.2007   2.3534   3.1211   6.8778   3.1035   18.207   7.2596   26.772   7.2220 -8.564932 10.24009 
1 1 1    2   17   26 o   16.329   6.3836   2.0664   2.3705   0.1911   3.4089   3.8223   3.2986   15.382   6.8813   20.043   7.6092 -4.660464 10.25924 
1 1 1    2   17   27 o   14.384   6.0255   1.2127   2.2860  -1.9837   3.2769   4.2429   3.1906   12.838   6.0835   20.043   7.5110 -7.205107 9.665588 
1 1 1    2   17   28 o   10.671   5.0399  -1.5087   2.2137  -3.8456   3.1646   0.7309   3.0979   11.182   5.4632   14.704   6.5701 -3.521957 8.544764 
1 1 1    2   17   29 o   12.697   5.5365   0.6586   2.0754   0.4724   2.8088   0.8826   3.0802   13.667   6.1689   14.470   6.5019 -0.8033104 8.962689 
1 1 1    2   17   30 o   11.883   5.2422   0.6841   1.9102   3.7236   2.6857  -2.4275   2.7174   17.013   6.7503   10.452   5.0971 6.560918 8.458577 
1 1 1    2   18    0 o   82.522   3.6710   53.793   4.7326   53.793   4.7326   53.793   4.7326   82.522   3.6710   82.522   3.6710 -0.000000 0.000000 
1 1 1    2   18    1 o  127.511   1.9686  127.635   3.9392  124.543   5.5683  130.732   5.5734  125.926   2.8177  129.020   2.7527 -3.093712 3.939129 
1 1 1    2   18    2 o  161.876   1.7797  205.689   4.5210  203.850   6.3574  207.570   6.4304  161.119   2.5144  162.582   2.5203 -1.463165 3.560078 
1 1 1    2   18    3 o   70.339   3.1815   38.953   3.5028   37.005   5.1685   40.607   4.7636   68.397   4.8467   71.727   4.2510 -3.330521 6.446849 
1 1 1    2   18    4 o   59.942   3.6650   28.354   3.4311   30.156   4.8734   26.581   4.8315   61.670   5.0805   57.833   5.3854 3.837250 7.403658 
1 1 1    2   18    5 o   40.612   5.0997   13.199   3.1787   16.239   4.6082   10.439   4.3904   44.834   6.7595   35.591   8.0497 9.243336 10.51135 
1 1 1    2   18    6 o   46.036   5.0173   16.905   3.5661   10.851   5.5646   21.124   4.6454   36.226   9.6255   51.388   5.8653 -15.16209 11.27171 
1 1 1    2   18    7 o   84.221   2.6804   55.805   3.5381   50.335   5.0301   61.161   4.9776   79.845   4.0274   88.083   3.6086 -8.238373 5.407601 
1 1 1    2   18    8 o  124.574   2.0352  121.900   3.9787  117.496   5.7290  126.003   5.5297  122.226   2.9868  126.593   2.7835 -4.366882 4.082711 
1 1 1    2   18    9 o   40.169   4.7367   12.917   2.9285   21.147   4.2845   5.7009   4.0121   51.421   5.3895   26.844   8.4982 24.57667 10.06313 
1 1 1    2   18   10 o   88.292   2.2581   61.311   3.1263   63.830   4.4785   58.918   4.3661   89.987   3.1763   86.445   3.2241 3.542046 4.525906 
1 1 1    2   18   11 o   35.880   4.5872   10.343   2.5239   13.168   3.5823   7.5575   3.5565   40.309   5.8325   30.133   7.5399 10.17560 9.532427 
1 1 1    2   18   12 o   47.757   3.4769   18.084   2.5880   19.449   3.6392   16.687   3.6810   49.321   4.7610   45.554   5.2447 3.766918 7.083357 
1 1 1    2   18   13 o   24.359   6.3059   4.9256   2.4292   1.4518   3.3881   8.6002   3.4847   18.797   7.5405   32.099   7.1057 -13.30191 10.36100 
1 1 1    2   18   14 o   41.091   4.0189   13.497   2.5584   8.4846   3.5792   18.733   3.6584   31.785   7.3259   48.289   4.8952 -16.50407 8.810913 
1 1 1    2   18   15 o   35.760   4.6120   10.336   2.5280   10.548   3.5586   10.119   3.5918   35.629   6.6079   34.824   6.8166 0.8049049 9.493706 
1 1 1    2   18   16 f   89.629   2.2996   63.330   3.2318   64.675   4.3885   61.735   4.7772   90.405   3.0978   88.233   3.4568 2.172195 4.641754 
1 1 1    2   18   17 o   45.219   3.6829   16.348   2.5908   17.888   3.6107   14.714   3.7198   46.968   4.9742   42.311   5.7508 4.656616 7.603583 
1 1 1    2   18   18 o   15.906   6.3126   1.2204   2.3493   3.8468   3.3207  -1.4116   3.3242   22.255   7.7518   14.884   6.7152 7.371094 10.25596 
1 1 1    2   18   19 o   19.524   6.4495   3.0715   2.2958   1.5998   3.1427   4.7557   3.3620   18.088   7.2602   23.816   7.8015 -5.727726 10.65711 
1 1 1    2   18   20 o   17.903   6.4174   2.3878   2.2889   4.4214   3.2264   0.3273   3.2477   22.922   7.6480   16.441   7.0461 6.480629 10.39902 
1 1 1    2   18   21 o   36.898   4.2989   11.195   2.4427   11.075   3.4216   11.321   3.4882   35.795   6.3223   36.171   6.3782 -0.3756371 8.980686 
1 1 1    2   18   22 o   52.513   3.1163   22.183   2.5565   26.843   3.6406   17.650   3.5908   57.298   4.0755   45.887   5.0709 11.41039 6.505683 
1 1 1    2   18   23 o   13.180   5.7919  -0.1980   2.3105  -1.0634   3.2841   0.6501   3.2512   14.607   6.6241   16.429   7.0454 -1.821913 9.670343 
1 1 1    2   18   24 o   15.542   6.2507   1.4052   2.3344   3.3745   3.3848  -0.3811   3.2238   20.191   7.6979   14.960   6.6921 5.231496 10.20006 
1 1 1    2   18   25 o   15.814   6.3465   1.7042   2.4012   1.5165   3.4587   1.8788   3.3362   17.054   7.2891   17.352   7.2748 -0.2980537 10.29825 
1 1 1    2   18   26 o   13.975   6.0373   0.7259   2.4211  -2.1898   3.3069   4.0939   3.5542   12.822   6.0865   19.984   7.8153 -7.161694 9.905787 
1 1 1    2   18   27 o   14.652   6.2081   1.3418   2.4713  -0.6109   3.4576   3.3812   3.5336   14.027   6.5182   18.371   7.5757 -4.344123 9.993921 
1 1 1    2   18   28 o   14.954   6.2361   1.7385   2.4321   0.8573   3.4368   2.6225   3.4423   15.023   6.7983   16.942   7.2572 -1.918523 9.944022 
1 1 1    2   18   29 o   9.9678   4.7764  -1.6229   2.1392   0.7486   3.0499  -3.9193   3.0012   13.710   6.2809   10.307   5.0913 3.403166 8.085278 
1 1 1    2   18   30 o   13.018   5.7709   1.3823   2.3420  -0.7414   3.3293   3.4627   3.2951   12.128   5.8490   15.706   6.9087 -3.578241 9.052076 
1 1 1    2   19    0 o   90.865   3.4152   65.134   4.8543   65.134   4.8543   65.134   4.8543   90.865   3.4152   90.865   3.4152 0.000000 0.000000 
1 1 1    2   19    1 o  170.103   1.7856  227.187   4.7666  227.537   6.7628  226.841   6.7193  170.178   2.5323  169.918   2.5199 0.2594147 3.572444 
1 1 1    2   19    2 o  129.728   2.1835  132.186   4.4452  131.027   6.6037  133.147   6.0111  129.036   3.2637  130.145   2.9432 -1.108749 4.394794 
1 1 1    2   19    3 o   36.672   6.1066   10.920   3.3908   8.5888   4.7827   13.276   4.8081   32.327   9.0639   40.176   7.9078 -7.848629 12.02862 
1 1 1    2   19    4 o  195.423   2.0210  299.958   6.1979  308.356   8.8535  291.886   8.6793  198.043   2.8487  192.679   2.8704 5.364441 4.044062 
1 1 1    2   19    5 o   18.852   7.3475   1.7522   3.1328   2.1687   4.4291   1.3351   4.4319   21.941   8.6804   20.892   8.5352 1.048748 12.17373 
1 1 1    2   19    6 o   18.802   7.3782   1.6695   3.1769   4.5267   4.7417  -0.6578   4.2794   25.690   9.2331   18.320   7.9698 7.369341 12.19706 
1 1 1    2   19    7 o   57.302   3.7294   25.983   3.3354   25.737   4.7133   26.230   4.7206   56.776   5.3532   57.330   5.3072 -0.5547066 7.538123 
1 1 1    2   19    8 o  117.276   2.3274  108.118   4.2835  110.343   6.0082  105.818   6.1085  118.331   3.2385  115.858   3.3633 2.473083 4.669000 
1 1 1    2   19    9 o  139.005   2.1840  151.886   4.7642  159.270   7.2581  146.296   6.3151  142.188   3.2528  136.322   2.9519 5.866364 4.392542 
1 1 1    2   19   10 o   12.636   5.8494  -2.2558   2.7443   0.0666   3.8176  -4.7392   3.9476   17.981   7.6709   14.011   6.6505 3.970342 10.15238 
1 1 1    2   19   11 o   67.631   2.9192   36.103   3.0910   33.059   4.2306   39.588   4.5270   64.502   4.2024   70.628   4.1021 -6.126221 5.872554 
1 1 1    2   19   12 f   42.943   4.2910   14.757   2.8531   11.414   3.9266   18.496   4.1526   37.077   7.0051   47.821   5.6418 -10.74451 8.994537 
1 1 1    2   19   13 o   90.216   2.3416   64.123   3.3124   68.410   4.5163   59.132   4.8728   93.046   3.0973   86.390   3.6022 6.655701 4.750682 
1 1 1    2   19   14 o   45.480   3.8460   16.511   2.7192   16.768   3.8201   16.247   3.8716   45.450   5.4654   44.678   5.6479 0.7721901 7.859357 
1 1 1    2   19   15 o   26.291   6.2302   5.8067   2.5309   6.3813   3.5868   5.2370   3.5716   27.477   7.8987   25.271   8.0204 2.206087 11.25678 
1 1 1    2   19   16 o   65.350   2.9969   33.869   3.0652   36.410   4.3695   31.407   4.3010   67.439   4.1488   62.535   4.4110 4.904945 6.055522 
1 1 1    2   19   17 o   35.443   4.8579   10.298   2.6310   8.4416   3.6659   12.271   3.7781   31.194   7.5670   38.144   6.5474 -6.949436 10.00641 
1 1 1    2   19   18 o   27.319   6.0899   6.3791   2.5441   9.0225   3.5956   3.7289   3.6003   32.163   7.2924   22.157   8.0345 10.00558 10.85049 
1 1 1    2   19   19 o   25.158   6.5897   5.5152   2.6322   7.5456   3.6301   3.2642   3.8222   29.050   7.7995   21.494   8.1836 7.555782 11.30500 
1 1 1    2   19   20 o   10.097   4.9356  -4.5642   2.5920  -8.3008   3.5246  -0.1638   3.8249   10.671   5.3132   16.965   7.4536 -6.294003 9.153454 
1 1 1    2   19   21 o   50.973   3.5563   21.059   2.8269   17.327   3.8734   25.312   4.1351   45.167   5.5835   55.195   4.8224 -10.02859 7.377691 
1 1 1    2   19   22 o   29.943   5.6650   7.8152   2.5645   10.306   3.6220   5.3116   3.6316   33.637   7.0856   24.056   8.1150 9.581688 10.77307 
1 1 1    2   19   23 o   14.612   6.2062   0.6207   2.4797  -1.1352   3.4790   2.4340   3.5355   14.783   6.7480   18.983   7.6719 -4.200883 10.21731 
1 1 1    2   19   24 o   13.867   5.9946   0.4350   2.3901   1.7558   3.4729  -0.7536   3.2943   17.464   7.3777   14.407   6.5728 3.057015 9.880885 
1 1 1    2   19   25 o   10.864   5.1357  -1.8120   2.3085  -2.6995   3.3172  -0.9784   3.2147   12.536   5.9910   13.683   6.3329 -1.146994 8.717662 
1 1 1    2   19   26 o   13.882   5.9357   0.9756   2.2954  -1.2768   3.2688   3.1667   3.2240   13.212   6.2040   18.041   7.3134 -4.829004 9.590347 
1 1 1    2   19   27 o   16.808   6.3173   2.8059   2.2605   2.6226   3.1859   2.9918   3.2079   16.898   7.0982   17.410   7.2027 -0.5127201 10.11250 
1 1 1    2   19   28 o   10.094   4.8249  -1.6617   2.1538  -2.6228   3.0298  -0.6798   3.0623   11.264   5.4677   12.718   5.9823 -1.453486 8.104538 
1 1 1    2   19   29 o   12.100   5.4016   0.7864   2.0887  -0.1693   2.9415   1.7583   2.9664   12.228   5.7856   14.024   6.3339 -1.795613 8.578563 
1 1 1    2   20    0 o   38.401   7.6681   12.940   4.1014   12.940   4.1014   12.940   4.1014   38.401   7.6681   38.401   7.6681 -0.000000 0.000000 
1 1 1    2   20    1 o  106.977   2.1769   89.922   3.6545   87.544   5.1252   92.383   5.2124  105.431   3.1011  108.312   3.0697 -2.881279 4.363459 
1 1 1    2   20    2 o   56.101   3.4323   24.875   3.0073   23.336   4.2258   26.455   4.2806   54.099   5.0353   57.673   4.7724 -3.573433 6.937549 
1 1 1    2   20    3 o  109.000   2.1559   93.360   3.6877   98.681   5.2867   88.317   5.1465  111.945   3.0121  105.888   3.1005 6.056923 4.322681 
1 1 1    2   20    4 o   56.857   3.2949   25.540   2.9273   29.842   4.2113   21.519   4.0718   61.320   4.4056   51.912   5.0625 9.408588 6.711072 
1 1 1    2   20    5 o   40.704   4.5181   13.250   2.8375   14.899   4.0689   11.688   3.9589   42.859   6.2321   37.712   6.9453 5.146412 9.331451 
1 1 1    2   20    6 o   26.725   7.0080   5.9131   2.9748   1.9818   4.5378   8.8759   3.9393   21.807   8.7338   32.631   7.7991 -10.82443 11.70918 
1 1 1    2   20    7 o   28.568   6.3182   6.7549   2.7574   4.3717   3.8987   9.1399   3.9003   24.327   8.4035   33.101   7.6603 -8.774172 11.37096 
1 1 1    2   20    8 o   31.415   6.0906   8.1280   2.8942   2.8668   4.1681   13.026   4.0219   22.311   8.5333   39.848   6.6669 -17.53748 10.82888 
1 1 1    2   20    9 o   44.642   4.8250   15.993   3.3266   20.907   5.0487   12.222   4.4223   50.712   6.4927   38.295   7.6268 12.41743 10.01612 
1 1 1    2   20   10 o   43.478   4.6507   15.172   3.1240   14.046   4.4490   16.268   4.3876   41.196   7.1403   44.601   6.4563 -3.404530 9.626452 
1 1 1    2   20   11 o   23.231   7.2694   4.3536   2.9439  -0.5527   4.0855   9.6525   4.2458   17.807   7.7662   33.760   8.1148 -15.95290 11.23227 
1 1 1    2   20   12 o   32.661   5.7940   8.7969   2.8610   7.6041   3.8991   10.188   4.2108   29.963   8.1002   34.665   7.9150 -4.702013 11.32523 
1 1 1    2   20   13 o   36.436   5.1364   10.819   2.8556   10.250   3.9885   11.417   4.0903   34.793   7.5242   36.817   7.3371 -2.023865 10.50934 
1 1 1    2   20   14 o   61.955   3.2843   30.483   3.1818   27.114   4.3315   34.432   4.6891   58.020   4.8002   65.494   4.5914 -7.474083 6.642479 
1 1 1    2   20   15 o   32.477   5.8895   8.8094   2.8911   8.1143   4.1042   9.4941   4.0734   30.552   8.3320   33.104   7.9426 -2.552792 11.51119 
1 1 1    2   20   16 o   38.189   4.6967   11.914   2.7555   10.004   3.8754   13.866   3.9187   33.979   7.4716   40.630   6.3540 -6.651291 9.808046 
1 1 1    2   20   17 o   20.123   6.8407   3.2336   2.5809  -0.1744   3.6018   6.8304   3.7001   16.709   7.2896   27.805   8.0315 -11.09541 10.84638 
1 1 1    2   20   18 o   26.472   6.4446   6.1028   2.6518   10.579   3.7540   1.6449   3.7464   34.725   7.1278   19.065   7.8247 15.66056 10.58452 
1 1 1    2   20   19 o   29.831   5.8266   7.6607   2.6298   8.5810   3.6983   6.7195   3.7401   30.762   7.6840   27.157   8.1374 3.605167 11.19195 
1 1 1    2   20   20 o   17.229   7.1200   1.3062   3.1302   5.1808   4.6589  -1.8820   4.2261   24.532   9.0991   16.040   7.3651 8.491720 11.70632 
1 1 1    2   20   21 o   20.267   6.9821   3.5132   2.6907   5.3063   3.7686   1.6485   3.8431   24.068   8.2641   18.699   7.8214 5.368732 11.37851 
1 1 1    2   20   22 o   15.658   6.4820   1.1438   2.6006  -2.5041   3.6910   4.7395   3.6646   14.100   6.6119   22.670   8.1207 -8.570069 10.47204 
1 1 1    2   20   23 o   14.345   6.2486   0.3678   2.6380  -0.9444   3.7732   1.6226   3.6896   15.189   6.9689   17.651   7.5360 -2.461937 10.26433 
1 1 1    2   20   24 o   16.687   6.6168   2.2461   2.5790   3.9742   3.6497   0.5225   3.6448   20.057   7.8968   15.862   7.1043 4.194453 10.62216 
1 1 1    2   20   25 o   15.200   6.3163   1.6399   2.4824  -1.8089   3.4077   5.5395   3.6235   13.086   6.2019   21.720   8.0304 -8.634186 10.14649 
1 1 1    2   20   26 o   11.405   5.3126  -0.9532   2.3184  -4.0184   3.2811   2.1029   3.2763   11.247   5.5092   16.328   7.0382 -5.080972 8.937977 
1 1 1    2   20   27 o   17.161   6.3822   3.1627   2.2949   4.2360   3.2561   2.1033   3.2351   18.686   7.4266   15.831   6.9074 2.855291 10.14236 
1 1 1    2   20   28 o   16.799   6.2966   3.4680   2.2425   3.9164   3.1592   3.0126   3.1836   16.848   7.0722   15.704   6.8523 1.143440 9.847315 
1 1 1    2   21    0 f   75.863   5.3120   46.062   6.2516   46.062   6.2516   46.062   6.2516   75.863   5.3120   75.863   5.3120 -0.000000 0.000000 
1 1 1    2   21    1 o   15.947   7.1867  -1.8383   3.7950  -8.1290   5.4105   4.2541   5.3245   15.481   7.4639   25.929   9.7057 -10.44742 12.24381 
1 1 1    2   21    2 o   31.080   7.8586   8.0628   3.8346   13.964   5.4865   2.4273   5.3616   40.815   8.8234   23.710   9.4944 17.10483 12.96137 
1 1 1    2   21    3 o   36.327   6.4134   10.827   3.5225   4.7593   5.1325   16.230   4.8432   26.350   9.5874   44.479   7.1832 -18.12951 11.97988 
1 1 1    2   21    4 o   20.735   7.2025   3.1218   2.8657   7.6382   4.0649  -1.3411   4.0407   30.265   8.3076   17.003   7.5563 13.26171 11.23006 
1 1 1    2   21    5 o   13.659   6.1202  -1.1671   2.7082   0.4426   3.8204  -2.7931   3.8398   18.416   7.7566   15.186   6.9903 3.229549 10.44167 
1 1 1    2   21    6 o   24.507   7.5432   4.8568   3.1845   4.4309   4.4135   5.3193   4.5994   24.944   8.9147   26.521   9.1289 -1.577736 12.75961 
1 1 1    2   21    7 o   20.741   7.0606   3.2257   2.7496   5.5162   3.9108   0.9866   3.8667   26.231   8.4001   19.147   7.9132 7.083790 11.54035 
1 1 1    2   21    8 o  112.341   2.1231   99.282   3.7429   98.333   5.2510  100.262   5.3366  111.620   3.0005  112.706   3.0200 -1.086105 4.257130 
1 1 1    2   21    9 o   67.113   3.0125   35.612   3.1647   32.449   4.4729   38.783   4.4783   63.755   4.4995   69.822   4.1052 -6.067440 6.090809 
1 1 1    2   21   10 o   28.907   6.2763   6.9777   2.7654   5.6332   3.8802   8.3655   3.9423   26.291   8.3615   31.389   7.9853 -5.098795 11.56196 
1 1 1    2   21   11 o   52.023   3.5111   21.526   2.8497   18.666   3.9794   24.535   4.0827   47.980   5.3776   55.262   4.7539 -7.282131 7.177592 
1 1 1    2   21   12 o   57.926   3.1916   26.629   2.8900   24.099   4.0957   29.139   4.0787   54.694   4.8211   60.321   4.3376 -5.627380 6.485181 
1 1 1    2   21   13 o   60.223   3.0875   28.793   2.9082   31.449   4.1172   26.148   4.1083   62.641   4.2128   56.963   4.6359 5.677681 6.264118 
1 1 1    2   21   14 f   31.884   5.5149   8.4613   2.6596   6.8123   3.7393   10.149   3.7836   28.052   8.0651   34.393   7.2395 -6.340813 10.83773 
1 1 1    2   21   15 o   36.282   4.6338   10.780   2.5782   15.247   3.6521   6.3423   3.6403   42.896   5.5557   26.980   8.0146 15.91599 9.751896 
1 1 1    2   21   16 o   19.345   6.7286   2.9235   2.5014   0.9062   3.5167   4.9893   3.5587   17.771   7.4609   24.233   8.0307 -6.461716 10.96159 
1 1 1    2   21   17 o   12.569   5.7107  -1.1875   2.4553  -1.9265   3.4474  -0.4267   3.4979   14.474   6.6484   16.064   7.0900 -1.589444 9.719542 
1 1 1    2   21   18 o   12.768   5.7784  -1.0356   2.4839   0.6469   3.5276  -2.6900   3.4981   17.234   7.3636   13.870   6.4822 3.364157 9.810312 
1 1 1    2   21   19 o   15.368   6.3957   0.8504   2.5506  -0.1165   3.5961   1.8292   3.6182   16.371   7.2088   18.743   7.6908 -2.371836 10.54112 
1 1 1    2   21   20 o   14.680   6.2682   0.4481   2.5532  -4.6480   3.6116   5.5398   3.6100   12.596   6.0792   24.424   8.0882 -11.82745 10.11805 
1 1 1    2   21   21 o   14.532   6.1684   0.6154   2.4472   4.8548   3.4995  -3.4414   3.4233   22.806   7.9570   12.809   6.1118 9.996994 10.03333 
1 1 1    2   21   22 o   21.877   6.6876   4.5697   2.5085   1.8741   3.5225   7.3434   3.5731   17.758   7.4620   26.771   7.9373 -9.012964 10.89410 
1 1 1    2   21   23 o   13.043   5.8757  -0.2733   2.5336  -0.4760   3.6792  -0.0905   3.4940   15.008   6.8842   15.057   6.8301 -0.4928493E-01 9.697518 
1 1 1    2   21   24 o   16.191   6.5870   2.1579   2.6263   7.4507   3.7502  -2.9359   3.6791   24.890   8.2438   12.828   6.1771 12.06230 10.30131 
1 1 1    2   21   25 f   14.178   6.1798   1.0044   2.5836   0.0019   3.6549   2.0057   3.6526   14.625   6.7633   16.514   7.2685 -1.888877 9.928416 
1 1 1    2   21   26 o   16.966   6.6061   3.0356   2.5305   0.3151   3.5501   5.8455   3.6080   14.432   6.6710   21.027   7.9638 -6.595661 10.38864 
1 1 1    2   21   27 o   8.8502   4.3836  -3.5740   2.2796   0.6735   3.3066  -7.4212   3.1470   13.631   6.3478   9.0114   4.5571 4.619515 7.814210 
1 1 1    2   21   28 o   9.6887   4.7264  -2.0063   2.3426  -0.2737   3.4334  -3.5154   3.2043   12.361   5.9560   10.316   5.1245 2.045102 7.857126 
1 1 1    2   22    0 o   57.470   4.7186   26.582   4.1874   26.582   4.1874   26.582   4.1874   57.470   4.7186   57.470   4.7186 0.000000 0.000000 
1 1 1    2   22    1 o   28.253   6.3890   6.6418   2.7661   6.1101   3.9128   7.1729   3.9108   27.312   8.3529   29.288   8.1906 -1.975180 11.69857 
1 1 1    2   22    2 o   26.780   6.6982   5.9831   2.8075   2.7899   3.9446   9.2615   3.9968   21.770   8.3075   33.184   7.8065 -11.41377 11.39983 
1 1 1    2   22    3 o   14.703   6.3977  -0.4039   2.7591   5.2439   3.8684  -6.2520   3.9364   25.695   8.3654   13.007   6.2941 12.68839 10.46878 
1 1 1    2   22    4 o   23.584   7.1314   4.5352   2.8630   2.4810   4.0810   6.5261   4.0175   21.521   8.3865   28.078   8.4385 -6.557243 11.89713 
1 1 1    2   22    5 o   97.211   2.3636   74.397   3.6058   76.852   5.1031   71.948   5.0958   98.593   3.3029   95.368   3.4104 3.225044 4.747599 
1 1 1    2   22    6 o   19.991   7.3422   2.6557   3.0206   3.3764   3.9791   1.6755   4.6402   22.637   8.4067   21.400   8.7369 1.237234 12.12461 
1 1 1    2   22    7 o   12.712   5.8877  -2.2495   2.7860  -4.6628   3.9187   0.2170   3.9617   13.909   6.6089   18.339   7.8186 -4.430418 10.23760 
1 1 1    2   22    8 o   28.794   6.7059   6.9694   2.9735   15.448   4.0706  -2.7304   4.3538   43.396   6.1494   16.370   7.5012 27.02647 9.699645 
1 1 1    2   22    9 o   16.031   6.7847   0.2885   2.9458  -3.7073   4.1123   4.4997   4.2218   15.020   7.0227   24.573   8.7256 -9.552819 11.20064 
1 1 1    2   22   10 o   18.248   7.1635   1.7234   2.9957   2.0180   4.2209   1.4243   4.2524   20.929   8.4092   20.237   8.3243 0.6923904 11.83256 
1 1 1    2   22   11 o   52.087   3.8223   21.696   3.1027   20.924   4.3671   22.483   4.4088   50.610   5.5918   52.540   5.4251 -1.930199 7.790959 
1 1 1    2   22   12 o   18.732   7.1737   2.1394   2.9483   1.8763   4.2568   2.3819   4.0873   20.624   8.3877   21.007   8.3299 -0.3832645 11.82114 
1 1 1    2   22   13 f   28.162   6.9704   6.8479   3.0638   4.3790   4.2942   9.4076   4.3725   24.022   8.7652   32.582   8.4733 -8.559731 12.19121 
1 1 1    2   22   14 f   28.222   6.6761   6.8967   2.9102   4.7337   4.1742   8.9426   4.0596   24.288   8.6708   31.681   8.1266 -7.392784 11.88378 
1 1 1    2   22   15 f   12.773   5.9507  -2.3125   2.9104   0.6293   4.1666  -5.1154   4.0671   18.618   7.9799   13.654   6.5541 4.964108 10.32640 
1 1 1    2   22   16 o   16.173   6.6434   1.0628   2.7036  -2.1072   3.8386   4.1834   3.8085   15.190   6.9911   22.750   8.2616 -7.559398 10.82261 
1 1 1    2   22   17 o   20.100   7.0544   3.2952   2.7532  -1.7194   3.8506   8.5399   3.9380   15.450   7.0703   30.358   8.1115 -14.90741 10.76042 
1 1 1    2   22   18 o   15.735   6.6024   0.8255   2.7517   3.8677   3.8951  -2.2057   3.8880   21.932   8.2817   15.011   6.9538 6.920962 10.81399 
1 1 1    2   22   19 o   13.358   6.0698  -1.0539   2.7743  -0.9088   3.9354  -1.1973   3.9117   16.074   7.2741   15.770   7.1820 0.3037024 10.22225 
1 1 1    2   22   20 o   22.465   7.5827   4.7249   3.1708   2.3309   4.6790   6.7578   4.3118   20.122   8.5348   25.899   8.8413 -5.777609 12.28866 
1 1 1    2   22   21 o   20.534   7.2956   3.9834   2.9518   3.3926   4.1641   4.5800   4.1849   20.254   8.2738   21.838   8.4975 -1.583933 11.86014 
1 1 1    2   22   22 f   14.242   6.2441   0.4996   2.6715   2.7827   3.7344  -1.8934   3.8232   18.483   7.7189   14.107   6.6506 4.375887 10.18882 
1 1 1    2   22   23 o   14.651   6.4904   0.7255   2.9578  -1.0001   4.3002   2.2750   4.0749   15.041   7.0793   17.544   7.7010 -2.502885 10.46047 
1 1 1    2   22   24 o   13.263   6.0311   0.0190   2.7454  -1.2894   3.8019   1.4446   3.9686   13.825   6.5517   16.201   7.3208 -2.376136 9.824406 
1 1 1    2   22   25 o   17.122   6.6823   3.1152   2.5940   3.4159   3.6599   2.8116   3.6772   17.673   7.5242   16.983   7.3879 0.6900768 10.54486 
1 1 1    2   22   26 o   11.287   5.3362  -0.8729   2.4931  -1.1143   3.5280  -0.6322   3.5235   12.671   6.0882   12.986   6.1973 -0.3142672 8.687489 
1 1 1    2   22   27 o   10.118   4.9150  -1.7269   2.4602  -0.1018   3.4623  -3.3845   3.4965   12.526   6.0216   10.802   5.3638 1.724159 8.064086 
1 1 1    2   23    0 o   16.891   9.6599   3.0217   4.0386   3.0217   4.0386   3.0217   4.0386   16.891   9.6599   16.891   9.6599 -0.000000 0.000000 
1 1 1    2   23    1 o   45.935   4.2030   16.888   2.9963   13.172   4.1788   20.819   4.2985   39.808   6.9415   50.721   5.4876 -10.91301 8.848597 
1 1 1    2   23    2 o   22.640   7.1623   4.1267   2.8503  -2.5045   4.0165   10.853   4.0454   15.773   7.2193   35.913   7.4233 -20.13991 10.35494 
1 1 1    2   23    3 o   55.404   3.5600   24.397   3.0789   23.149   4.3000   25.710   4.4107   53.580   5.1784   56.534   5.0238 -2.953720 7.214827 
1 1 1    2   23    4 o   18.229   7.0303   1.8565   2.8454  -4.2639   3.9724   8.3050   4.0775   14.299   6.7527   31.219   8.2136 -16.92005 10.63309 
1 1 1    2   23    5 o   14.877   6.4948  -0.4431   2.8635   0.5479   3.9678  -1.5203   4.1367   18.689   7.8901   16.897   7.5682 1.791857 10.93299 
1 1 1    2   23    6 o   34.532   5.6293   9.8181   2.9456   10.904   4.0947   8.6538   4.2405   35.879   7.5137   31.765   8.3852 4.113577 11.25906 
1 1 1    2   23    7 o   22.134   7.1985   3.9195   2.8648   2.9909   4.0386   4.8600   4.0644   21.984   8.4019   24.947   8.5818 -2.963133 12.00994 
1 1 1    2   23    8 o   31.105   5.9681   8.0776   2.8073   12.320   3.9951   3.9398   3.9456   38.286   6.9033   23.257   8.4141 15.02910 10.88357 
1 1 1    2   23    9 o   18.534   6.9919   2.1780   2.7748   1.3484   3.9764   2.9654   3.8740   19.522   8.0421   21.578   8.2332 -2.055771 11.50914 
1 1 1    2   23   10 o   23.447   7.2880   4.5962   2.9642  -4.0065   4.3849   11.836   4.0226   15.299   7.1844   37.246   7.1419 -21.94727 10.13027 
1 1 1    2   23   11 o   18.630   6.8820   2.3948   2.6603   4.7307   3.7302  -0.0230   3.7951   24.096   8.2234   17.389   7.5355 6.706213 11.15384 
1 1 1    2   23   12 o   27.355   6.3426   6.4362   2.6697   6.2647   3.6888   6.6249   3.8686   26.746   8.0963   27.433   8.2886 -0.6864510 11.58669 
1 1 1    2   23   13 o   23.586   6.9772   4.8200   2.7635   5.2023   3.8129   4.3969   4.0111   24.686   8.3151   23.474   8.4849 1.211983 11.88000 
1 1 1    2   23   14 o   14.100   6.2867  -0.7210   2.8203   0.3312   3.7680  -2.0612   4.2528   17.444   7.5339   16.156   7.4073 1.288004 10.56540 
1 1 1    2   23   15 o   13.501   6.1593  -1.3950   2.8926  -1.1382   4.0205  -1.6706   4.1649   16.363   7.3835   16.194   7.3887 0.1691246 10.44556 
1 1 1    2   23   16 o   41.263   4.9363   14.265   3.1331   15.389   4.4223   13.132   4.4395   41.618   7.0205   37.925   7.7221 3.693630 10.43642 
1 1 1    2   23   17 o   12.645   5.8696  -1.8681   2.7916  -0.6716   3.9424  -3.0714   3.9535   16.400   7.3634   14.447   6.7961 1.953103 10.02031 
1 1 1    2   23   18 o   15.954   6.6774   1.0294   2.8036   3.5002   3.9594  -1.4552   3.9705   21.083   8.2477   15.592   7.1518 5.491200 10.91667 
1 1 1    2   23   19 o   11.644   5.4979  -2.2916   2.6306   1.9547   3.6825  -6.7162   3.7590   18.381   7.6700   11.638   5.7391 6.743387 9.579504 
1 1 1    2   23   20 o   18.182   6.9150   2.8263   2.7272   1.7845   3.6904   4.0800   4.0482   17.698   7.5457   20.931   8.2931 -3.233597 11.21221 
1 1 1    2   23   21 o   15.934   6.6697   1.6442   2.7977  -1.8528   3.9257   5.2530   3.9880   14.252   6.7252   21.815   8.3461 -7.563079 10.71850 
1 1 1    2   23   22 o   17.111   6.7886   2.7218   2.7161   1.3387   3.7939   4.1760   3.8902   16.291   7.2757   19.573   7.9965 -3.281870 10.81108 
1 1 1    2   23   23 f   13.794   6.2894   0.1462   3.0109   0.0352   4.3313   0.2500   4.1884   15.367   7.1921   15.376   7.1549 -0.8124352E-02 10.14492 
1 1 1    2   23   24 o   10.048   4.9242  -3.4364   2.6300  -3.1907   3.7351  -3.6779   3.7038   12.295   5.9912   11.985   5.8672 0.3097200 8.385654 
1 1 1    2   23   25 o   10.375   5.0241  -2.1249   2.5193  -3.0974   3.6578  -1.2472   3.4748   11.746   5.7665   12.552   6.0338 -0.8067236 8.346209 
1 1 1    2   23   26 o   10.034   4.8951  -2.0117   2.5143  -5.1541   3.7313   0.6016   3.4028   10.416   5.2277   12.977   6.1639 -2.560439 8.082230 
1 1 1    2   24    0 f   47.431   6.0053   18.731   4.2751   18.731   4.2751   18.731   4.2751   47.431   6.0053   47.431   6.0053 -0.000000 0.000000 
1 1 1    2   24    1 o   19.952   7.1644   2.8349   2.8541   1.7674   3.9910   3.9523   4.0833   20.191   8.1543   23.487   8.5506 -3.295433 11.81553 
1 1 1    2   24    2 o   37.541   5.1501   11.506   2.9541   11.041   4.1596   11.979   4.1962   36.015   7.5990   37.623   7.3708 -1.608093 10.58653 
1 1 1    2   24    3 o   33.806   5.7818   9.4685   2.9572   13.081   4.1739   5.8273   4.1903   39.464   6.9956   26.626   8.7090 12.83802 11.17068 
1 1 1    2   24    4 o   13.621   6.3390  -2.7535   3.2892  -3.0635   4.6242  -2.4361   4.6795   16.609   7.6548   17.218   7.8468 -0.6085510 10.96212 
1 1 1    2   24    5 o   20.024   7.9963   1.9649   3.7926   2.5675   4.8664   1.0326   6.0526   22.540   9.0386   22.733   9.6771 -0.1932850 13.24173 
1 1 1    2   24    6 o   44.882   4.9958   16.402   3.4592   18.462   4.8507   14.271   4.9343   46.979   6.7752   40.705   8.0098 6.273434 10.49096 
1 1 1    2   24    7 o   16.072   6.9422  -0.0563   3.2004   0.1039   4.4575  -0.2268   4.5979   18.947   8.1886   18.887   8.2380 0.6003189E-01 11.61540 
1 1 1    2   24    8 o   19.501   7.4584   2.4014   3.1840   9.6487   4.4916  -4.9194   4.5143   32.992   8.5918   14.947   7.0996 18.04481 11.14556 
1 1 1    2   24    9 o   19.784   7.1610   2.8724   2.8583   3.1988   4.0279   2.5414   4.0568   21.884   8.3840   20.995   8.3070 0.8889599 11.80244 
1 1 1    2   24   10 o   11.437   5.4813  -3.6866   2.8201   1.0613   4.2648  -7.3759   3.7594   19.385   8.1818   11.744   5.7815 7.641317 10.01834 
1 1 1    2   24   11 f   25.328   6.6640   5.5974   2.6840   5.8256   3.7617   5.3606   3.8308   25.759   8.2374   24.947   8.3338 0.8117714 11.71781 
1 1 1    2   24   12 o   16.550   6.6800   1.3219   2.6767  -3.7353   3.7493   6.5786   3.8226   13.756   6.5155   27.007   8.2554 -13.25081 10.51685 
1 1 1    2   24   13 o   20.747   6.9268   3.6255   2.6465   6.2842   3.7094   0.8690   3.7770   26.300   8.1490   17.974   7.6477 8.325277 11.17563 
1 1 1    2   24   14 o   16.691   6.6692   1.5420   2.6396  -1.4050   3.6546   4.7562   3.8167   15.266   6.9484   23.448   8.2993 -8.182366 10.82400 
1 1 1    2   24   15 o   14.207   6.2293  -0.1354   2.6592  -0.3224   3.7751   0.0487   3.7466   16.449   7.3074   16.776   7.3735 -0.3268566 10.38105 
1 1 1    2   24   16 o   25.724   6.7146   6.0421   2.7391   9.2976   3.8428   2.6797   3.9054   31.323   7.8375   20.021   8.0732 11.30189 11.25186 
1 1 1    2   24   17 f   14.146   6.2271  -0.0694   2.6815  -3.3018   3.7684   3.2462   3.8166   13.681   6.4949   20.432   8.0658 -6.751251 10.35574 
1 1 1    2   24   18 o   14.315   6.2247   0.3128   2.6080  -1.6781   3.6631   2.3593   3.7139   14.502   6.7288   18.794   7.7600 -4.291584 10.27105 
1 1 1    2   24   19 o   14.378   6.2828   0.4585   2.6849  -1.3282   3.7547   2.3280   3.8408   14.609   6.7902   18.333   7.7524 -3.724018 10.30566 
1 1 1    2   24   20 o   18.265   6.8785   3.2017   2.6829   0.3219   3.7440   6.2411   3.8464   15.613   7.0772   23.196   8.3185 -7.583617 10.92174 
1 1 1    2   24   21 o   14.649   6.2977   1.2237   2.6097   2.3757   3.6915   0.0727   3.6898   17.176   7.4375   14.908   6.8586 2.268488 10.11711 
1 1 1    2   24   22 o   13.623   6.0970   0.5176   2.6793   2.6155   3.9708  -1.2360   3.6303   17.174   7.5682   13.515   6.4042 3.659335 9.914186 
1 1 1    2   24   23 o   15.681   6.7897   2.0685   3.0763   0.0174   4.3566   4.1082   4.3445   14.973   7.0711   18.337   8.0028 -3.364591 10.67923 
1 1 1    2   24   24 o   10.966   5.2688  -1.6185   2.6422  -0.0077   3.8124  -3.1074   3.6653   13.717   6.5180   11.724   5.7594 1.992601 8.697985 
1 1 1    2   24   25 o   19.090   6.9831   5.4638   2.7281   8.2448   3.6998   2.1501   4.0386   21.119   8.0489   14.334   6.7811 6.785173 10.52462 
1 1 1    2   25    0 f   22.603   10.546   6.1803   4.1669   6.1803   4.1669   6.1803   4.1669   22.603   10.546   22.603   10.546 -0.000000 0.000000 
1 1 1    2   25    1 o   28.871   6.7910   7.1450   3.0250   9.2216   4.3178   5.1433   4.2393   32.374   8.4205   25.261   8.7610 7.112616 12.15154 
1 1 1    2   25    2 o   19.833   7.6070   2.4580   3.3185   0.1952   4.9424   4.3157   4.4780   19.902   8.6118   24.180   8.9295 -4.278950 12.40557 
1 1 1    2   25    3 o   15.930   6.9990  -0.5001   3.3725   1.1980   4.7850  -2.1763   4.7540   20.631   8.6847   17.417   7.9264 3.214605 11.75808 
1 1 1    2   25    4 o   15.554   6.8859  -0.7192   3.3237   1.5576   4.7115  -2.9747   4.6895   20.869   8.6894   16.641   7.6833 4.228168 11.59909 
1 1 1    2   25    5 o   22.079   8.0174   3.6588   3.5866   8.4003   5.0460  -1.1828   5.0990   30.648   9.5059   18.837   8.4223 11.81023 12.70027 
1 1 1    2   25    6 o   22.907   7.6173   4.3462   3.2010   8.2304   4.5006   0.3697   4.5538   30.292   8.8889   19.210   8.2892 11.08284 12.15415 
1 1 1    2   25    7 o   24.105   7.4865   4.9995   3.1287   4.3683   4.3546   5.6730   4.4981   23.833   8.8048   25.934   9.0228 -2.100616 12.60692 
1 1 1    2   25    8 o   22.944   7.5534   4.4527   3.1500   3.1615   4.4507   5.7487   4.4588   22.142   8.7196   25.910   8.9850 -3.767963 12.52044 
1 1 1    2   25    9 o   15.784   6.7218   0.4190   2.9224   2.0420   4.1511  -1.1760   4.1151   20.189   8.2556   16.659   7.4978 3.529503 11.15226 
1 1 1    2   25   10 o   18.565   7.4172   1.9491   3.2644   1.0382   4.9964   2.6276   4.3121   20.254   8.7107   21.050   8.4849 -0.7959538 12.16016 
1 1 1    2   25   11 o   20.604   7.3425   3.4289   2.9920   2.6740   4.1929   4.2120   4.2707   20.830   8.3771   23.035   8.6776 -2.205164 12.06139 
1 1 1    2   25   12 o   12.348   5.8192  -2.6816   2.9216   0.0116   4.1131  -5.4242   4.1506   17.534   7.7155   13.474   6.5064 4.059312 10.09267 
1 1 1    2   25   13 o   16.568   6.8962   1.1176   2.9661   4.9360   4.0598  -3.2542   4.3440   23.665   8.5386   15.166   7.1309 8.499489 11.12467 
1 1 1    2   25   14 o   13.301   6.0457  -1.0765   2.7551  -1.2491   3.9095  -0.9062   3.8833   15.746   7.1746   16.001   7.2351 -0.2550459 10.18924 
1 1 1    2   25   15 o   25.185   7.1542   5.9468   2.9597   8.7562   4.3056   3.4300   4.0752   29.566   8.6992   21.018   8.3228 8.548491 12.03929 
1 1 1    2   25   16 o   23.307   7.2986   5.1844   2.9670   10.707   4.1702  -0.4769   4.2222   32.815   8.1380   16.643   7.5329 16.17197 11.08926 
1 1 1    2   25   17 o   17.056   7.0213   1.8611   3.0284   0.0780   4.1967   3.7985   4.3745   16.760   7.5550   20.907   8.5028 -4.146423 11.37433 
1 1 1    2   25   18 o   17.841   7.1281   2.6857   3.0150   2.8816   4.2135   2.4801   4.3161   19.025   8.0856   18.669   8.0631 0.3558407 11.41881 
1 1 1    2   25   19 o   21.017   7.8069   4.9414   3.4319   6.3748   4.8111   3.4563   4.8970   22.451   8.9926   19.315   8.4615 3.136034 12.34764 
1 1 1    2   25   20 o   11.727   5.5518  -1.6032   2.7165   4.0936   3.8841  -7.0581   3.8007   19.099   7.9156   10.858   5.4236 8.241381 9.595423 
1 1 1    2   25   21 f   11.162   5.3482  -2.0413   2.6806  -4.2211   3.8832  -0.0570   3.7050   12.080   5.9330   14.417   6.7158 -2.336767 8.961166 
1 1 1    2   25   22 o   17.199   6.6947   3.2804   2.5982  -2.1766   3.6377   8.9632   3.7122   12.605   6.0879   25.810   8.1749 -13.20511 10.19268 
1 1 1    2   25   23 o   11.489   5.5124  -1.3497   2.8693   0.3567   4.0270  -3.1093   4.0893   14.012   6.6700   12.182   6.0035 1.830647 8.973874 
1 1 1    2   25   24 o   11.431   5.4148  -0.2161   2.5914  -2.5358   3.5528   2.4212   3.7882   11.197   5.5326   14.369   6.7252 -3.171817 8.708513 
1 1 1    2   26    0 o   25.025   10.298   7.2841   4.0007   7.2841   4.0007   7.2841   4.0007   25.025   10.298   25.025   10.298 0.000000 0.000000 
1 1 1    2   26    1 o   22.885   7.0871   4.4824   2.8060   4.3164   3.9506   4.6513   3.9863   23.332   8.4224   23.904   8.4797 -0.5716000 11.95166 
1 1 1    2   26    2 o   18.141   6.9640   2.0956   2.7828   6.4303   3.9492  -2.1798   3.9220   26.937   8.4182   15.436   7.0906 11.50089 11.00644 
1 1 1    2   26    3 o   30.289   6.3249   7.9144   2.9092   15.780   4.1414   0.2514   4.0876   43.089   6.3116   18.074   7.8263 25.01556 10.05421 
1 1 1    2   26    4 o   13.023   5.9716  -1.6127   2.7650  -5.1830   3.9193   1.9248   3.9013   13.257   6.3815   19.688   8.0212 -6.430949 10.25008 
1 1 1    2   26    5 o   24.686   7.3872   5.3627   3.0838   0.6618   4.7165   8.8731   4.0757   19.543   8.4345   31.239   8.2084 -11.69529 11.76946 
1 1 1    2   26    6 o   13.512   6.1343  -1.2617   2.8256   2.5622   4.0021  -5.0622   3.9899   20.587   8.2165   13.449   6.4650 7.137762 10.45504 
1 1 1    2   26    7 o   9.8901   4.9153  -6.8368   2.9611  -6.6695   4.2408  -6.9960   4.1363   13.092   6.3806   12.695   6.2116 0.3972197 8.904822 
1 1 1    2   26    8 f   15.056   6.6938  -0.5726   3.1741   0.4463   4.5128  -1.5702   4.4653   18.773   8.1752   16.857   7.6756 1.915476 11.21379 
1 1 1    2   26    9 o   30.557   7.2186   8.4457   3.4061   11.023   4.6728   5.5233   4.9753   34.100   8.7038   25.234   9.3947 8.866072 12.80689 
1 1 1    2   26   10 o   16.906   7.2037   0.7650   3.3598  -3.8257   4.8445   5.0195   4.6637   15.820   7.4667   24.216   9.0797 -8.396924 11.75552 
1 1 1    2   26   11 o   14.190   6.4733  -1.3098   3.1951   1.1727   4.5405  -3.7448   4.4969   19.235   8.2884   15.107   7.1495 4.127682 10.94594 
1 1 1    2   26   12 o   23.207   7.4107   4.9411   3.0454   5.8874   4.2894   3.9793   4.3245   24.992   8.8026   22.187   8.6368 2.805462 12.33204 
1 1 1    2   26   13 o   24.867   7.0772   5.7815   2.8936   3.5083   4.1224   7.9891   4.0625   21.160   8.3735   28.389   8.4748 -7.229439 11.91381 
1 1 1    2   26   14 o   20.049   7.1007   3.5674   2.7943   6.5747   3.9833   0.6539   3.9208   25.579   8.4969   17.255   7.5648 8.323627 11.37648 
1 1 1    2   26   15 o   21.140   7.2053   4.2381   2.8636   3.9717   4.0459   4.5055   4.0535   21.103   8.3126   21.861   8.4016 -0.7588139 11.81891 
1 1 1    2   26   16 o   13.186   6.0600  -0.9284   2.8698   3.2140   3.9429  -5.5947   4.1849   19.441   8.0083   12.714   6.2267 6.726871 10.14422 
1 1 1    2   26   17 o   20.015   7.3285   4.1404   3.0058   3.1822   4.2262   5.1214   4.2759   19.014   8.0899   21.383   8.5067 -2.369089 11.73931 
1 1 1    2   26   18 o   14.129   6.3427   0.3834   2.9237   2.5024   4.1753  -1.6551   4.0953   17.690   7.7794   14.216   6.7553 3.474271 10.30305 
1 1 1    2   26   19 o   10.287   5.0699  -4.3110   2.9184  -5.1147   4.1407  -3.5176   4.1138   12.156   6.0002   12.880   6.2790 -0.7244682 8.684990 
1 1 1    2   26   20 o   9.1805   4.6027  -6.1683   2.8566  -2.9270   4.0661  -9.3272   4.0141   12.932   6.2904   10.267   5.1866 2.665534 8.152865 
1 1 1    2   26   21 o   15.576   6.6547   2.2959   2.8807   0.0997   4.1302   4.3764   4.0199   14.524   6.8671   18.213   7.8228 -3.688940 10.40927 
1 1 1    2   26   22 o   12.103   5.7465  -0.5063   2.9519   4.2446   4.4366  -4.2804   3.9542   16.693   7.6202   11.355   5.6495 5.338012 9.485965 
1 1 1    2   26   23 o   11.397   5.5903  -1.6081   3.4139  -8.7942   4.9972   4.6810   4.6749   10.644   5.4191   15.625   7.3627 -4.981620 9.142044 
1 1 1    2   27    0 f   12.733   8.6939  -2.4253   5.4192  -2.4253   5.4192  -2.4253   5.4192   12.733   8.6939   12.733   8.6939 0.000000 0.000000 
1 1 1    2   27    1 o   24.285   8.4843   5.1257   3.9796   0.7623   5.6118   9.5396   5.6442   20.781   9.0820   31.306   10.098 -10.52419 13.58115 
1 1 1    2   27    2 o   21.248   8.2960   3.1556   3.9995   6.8960   5.7074  -0.4536   5.6064   27.564   10.097   19.732   8.8262 7.831486 13.41121 
1 1 1    2   27    3 o   10.840   5.3434  -6.3730   3.2450  -2.2405   4.6003 -10.4655   4.5779   16.570   7.6360   12.123   6.0392 4.447100 9.735469 
1 1 1    2   27    4 o   20.163   7.5060   3.1082   3.1758  -0.1638   4.4585   6.4783   4.5248   18.029   7.9788   26.533   9.0570 -8.504507 12.07022 
1 1 1    2   27    5 o   16.001   6.9340   0.2291   3.2137  -1.8440   4.6866   2.0692   4.4153   16.967   7.7779   20.258   8.4215 -3.290546 11.46374 
1 1 1    2   27    6 o   15.420   6.5980   0.4404   2.8395   4.5386   3.9852  -3.7855   4.0468   23.100   8.4416   14.229   6.7480 8.871598 10.80721 
1 1 1    2   27    7 o   12.774   5.9409  -2.0191   2.8814  -2.2607   4.0371  -1.7682   4.1138   15.279   7.0807   15.832   7.2684 -0.5524702 10.14723 
1 1 1    2   27    8 o   10.551   5.1686  -5.0427   2.8884  -9.7613   4.0492  -0.1542   4.1214   11.170   5.5822   17.210   7.6410 -6.040810 9.462834 
1 1 1    2   27    9 o   20.454   7.2099   3.5779   2.8781   0.8417   4.0480   6.3753   4.0929   18.019   7.7953   25.810   8.6141 -7.791521 11.61762 
1 1 1    2   27   10 o   21.148   7.6839   3.8655   3.2952   4.2818   4.6672   3.4517   4.6530   22.698   8.9321   21.650   8.7824 1.048836 12.52652 
1 1 1    2   27   11 o   16.910   6.8568   1.6976   2.8348   3.1046   3.9943   0.2698   4.0239   20.391   8.1848   17.145   7.5841 3.246258 11.15842 
1 1 1    2   27   12 o   15.694   6.6314   0.9878   2.8067   4.1636   3.9529  -2.2413   3.9860   21.616   8.2994   14.768   6.9077 6.848013 10.79801 
1 1 1    2   27   13 o   14.044   6.2827  -0.2703   2.8418   0.0963   4.0005  -0.6436   4.0376   16.560   7.4278   15.957   7.2786 0.6028366 10.39956 
1 1 1    2   27   14 o   12.549   5.8508  -1.5126   2.8217  -4.8064   4.0019   1.7439   3.9792   12.794   6.2270   17.804   7.7155 -5.009881 9.914894 
1 1 1    2   27   15 o   13.405   6.0807  -0.3203   2.7698  -2.2300   3.8877   1.6481   3.9470   13.888   6.5944   17.233   7.5716 -3.345394 10.04063 
1 1 1    2   27   16 o   12.352   5.7603  -1.1042   2.7386  -0.2289   3.8855  -1.9683   3.8605   15.046   6.9633   13.732   6.5347 1.314137 9.549369 
1 1 1    2   27   17 o   15.431   6.5469   1.7879   2.7545   3.2925   3.8758   0.2524   3.9153   18.031   7.7115   15.127   6.9972 2.903134 10.41290 
1 1 1    2   27   18 o   11.143   5.3443  -2.0601   2.6914  -0.7166   3.8333  -3.3663   3.7797   14.028   6.6272   12.314   6.0063 1.713806 8.944025 
1 1 1    2   27   19 o   10.859   5.3299  -3.6852   3.1186  -2.8932   4.4277  -4.4649   4.3933   13.289   6.4862   12.521   6.1803 0.7684393 8.959163 
1 1 1    2   27   20 o   12.494   5.7647   0.0459   2.6333   1.5222   3.7571  -1.3795   3.6918   15.027   6.9162   12.857   6.1902 2.170271 9.281884 
1 1 1    2   27   21 o   13.781   6.0892   1.8277   2.5867  -1.5240   3.6520   5.2021   3.6643   12.060   5.8871   17.543   7.5005 -5.483340 9.534940 
1 1 1    2   27   22 o   13.024   5.9025   1.6912   2.6028   0.4036   3.6647   3.0019   3.6974   12.582   6.0849   14.378   6.7013 -1.795820 9.051726 
1 1 1    2   28    0 o   21.019   10.391   5.7935   4.1149   5.7935   4.1149   5.7935   4.1149   21.019   10.391   21.019   10.391 -0.000000 0.000000 
1 1 1    2   28    1 o   18.029   7.0562   2.1733   2.8992   5.9444   4.1061  -1.5759   4.0941   25.227   8.6273   15.888   7.2780 9.339645 11.28717 
1 1 1    2   28    2 o   17.189   6.9475   1.6558   2.8998   1.7413   4.1535   1.5745   4.0504   19.265   8.0994   18.920   7.9788 0.3448620 11.36927 
1 1 1    2   28    3 o   18.561   7.0921   2.5263   2.8772   5.1362   4.1205   0.0430   4.0193   23.852   8.6027   17.185   7.5919 6.666460 11.47354 
1 1 1    2   28    4 o   15.032   6.5703   0.0661   2.9379  -0.4015   4.1588   0.5320   4.1509   16.972   7.5959   17.868   7.8099 -0.8962250 10.89459 
1 1 1    2   28    5 o   18.436   7.4487   2.0981   3.3318   7.1404   4.8653  -2.3545   4.5720   26.891   9.3821   16.093   7.4844 10.79782 12.00163 
1 1 1    2   28    6 f   27.125   6.8331   6.7824   2.9067   6.9062   4.1087   6.6583   4.1128   26.565   8.6193   26.137   8.6322 0.4286137 12.19867 
1 1 1    2   28    7 o   26.360   7.0064   6.4887   2.9477   5.3586   4.1582   7.6303   4.1794   23.879   8.6380   27.661   8.6623 -3.781969 12.23320 
1 1 1    2   28    8 o   20.202   7.3142   3.5482   2.9822   6.4617   4.2512   0.7253   4.1845   25.458   8.7760   17.825   7.8148 7.633648 11.75117 
1 1 1    2   28    9 f   20.454   7.2780   3.7665   2.9385   1.4095   4.1337   6.1742   4.1780   18.318   7.9011   24.773   8.6905 -6.454634 11.74526 
1 1 1    2   28   10 o   19.816   7.5768   3.3808   3.2854   5.0454   4.6349   1.7000   4.6576   22.890   8.9325   19.078   8.3068 3.811653 12.19807 
1 1 1    2   28   11 o   15.203   6.6320   0.5531   2.9809   1.5618   4.0767  -0.6060   4.3698   17.992   7.8033   16.393   7.5132 1.599056 10.83233 
1 1 1    2   28   12 o   13.657   6.2821  -0.8860   3.0938  -0.5550   4.3582  -1.2223   4.3928   16.070   7.4153   15.622   7.2888 0.4486742 10.39772 
1 1 1    2   28   13 o   17.019   7.0741   2.2258   3.1149   0.9412   4.3985   3.5184   4.4120   16.984   7.6876   19.499   8.2798 -2.515116 11.29844 
1 1 1    2   28   14 o   11.906   5.6848  -2.2412   2.9724  -1.6427   4.2584  -2.8098   4.1508   14.530   6.8998   13.654   6.5713 0.8759241 9.528308 
1 1 1    2   28   15 o   12.101   5.7385  -1.6353   2.9255  -7.8836   4.0814   4.9671   4.1954   11.018   5.5210   20.056   8.2612 -9.037967 9.936223 
1 1 1    2   28   16 o   14.965   6.5964   1.3873   3.0186   1.8415   4.3224   0.9550   4.2174   16.489   7.5248   15.700   7.2620 0.7891722 10.45752 
1 1 1    2   28   17 o   14.116   6.5143   0.3528   3.3648  -0.7794   4.9393   1.3331   4.5963   14.948   7.1878   15.988   7.4584 -1.039729 10.35818 
1 1 1    2   28   18 o   12.328   5.9431  -1.8636   3.4283   0.4121   4.8750  -4.0903   4.8222   15.229   7.2740   13.005   6.4297 2.223900 9.708397 
1 1 1    2   28   19 o   13.052   6.2819  -0.6980   3.7939   8.8747   5.4313  -9.8199   5.3019   20.139   8.8639   11.322   5.7462 8.816841 10.56346 
1 1 1    2   28   20 o   13.015   6.1633   0.8879   3.3523   2.6934   4.7674  -0.8778   4.7146   14.622   7.0385   12.909   6.3777 1.712264 9.498205 
1 1 1    2   28   21 o   11.440   5.5298  -0.3447   3.0166  -0.0300   4.2996  -0.6498   4.2335   12.510   6.1634   12.202   6.0312 0.3079205 8.623405 
1 1 1    2   29    0 o   13.093   8.4789   0.6596   4.1125   0.6596   4.1125   0.6596   4.1125   13.093   8.4789   13.093   8.4789 -0.000000 0.000000 
1 1 1    2   29    1 o   15.411   6.6168   0.6133   2.8740  -3.3803   4.1429   4.3183   3.9904   14.377   6.8211   22.064   8.3708 -7.686321 10.79801 
1 1 1    2   29    2 o   14.332   6.4016  -0.3801   2.9383  -4.1637   4.1730   3.3405   4.1381   13.925   6.6723   20.764   8.3320 -6.838814 10.67439 
1 1 1    2   29    3 o   19.292   7.2393   3.0847   2.9660  -1.8816   4.2312   7.8828   4.1589   15.558   7.2232   27.801   8.6312 -12.24314 11.25483 
1 1 1    2   29    4 o   17.666   7.0477   2.1585   2.9430   2.3261   4.1595   1.9905   4.1645   19.391   8.1257   19.009   8.0569 0.3819351 11.44292 
1 1 1    2   29    5 o   13.088   6.1513  -2.2979   3.2260  -6.6250   4.3152   3.1848   4.8573   12.796   6.2785   20.948   8.7798 -8.151568 10.79371 
1 1 1    2   29    6 o   26.711   7.0084   6.8690   2.9739   3.4898   4.2155   10.217   4.1960   20.670   8.3688   31.558   8.3460 -10.88761 11.81917 
1 1 1    2   29    7 o   18.579   7.1797   2.8450   2.9718  -1.6632   4.1710   7.4932   4.2352   15.345   7.1406   26.452   8.7606 -11.10673 11.30205 
1 1 1    2   29    8 o   10.346   5.0926  -5.0432   2.9128  -1.5724   4.2005  -8.2580   4.0426   15.320   7.1413   11.379   5.6697 3.941210 9.118310 
1 1 1    2   29    9 o   12.141   5.7618  -2.3348   2.9604  -3.0027   4.1408  -1.6364   4.2340   14.038   6.7046   15.105   7.0828 -1.067623 9.752860 
1 1 1    2   29   10 o   16.701   7.1928   1.6705   3.4160   5.2211   4.6942  -2.3258   4.9802   21.649   8.8068   15.488   7.3851 6.160844 11.49349 
1 1 1    2   29   11 o   18.950   7.5088   3.6102   3.3191   2.5579   4.6887   4.6671   4.6992   18.415   8.1643   20.534   8.6228 -2.118418 11.87472 
1 1 1    2   29   12 f   21.763   7.7518   5.5712   3.3344   2.3056   4.6569   9.0066   4.7764   17.741   7.9811   25.367   9.2461 -7.626064 12.21425 
1 1 1    2   29   13 o   12.355   5.8918  -1.8523   3.1724   2.8659   4.2856  -7.5713   4.7183   17.642   7.8144   12.079   6.0349 5.563589 9.873432 
1 1 1    2   29   14 o   12.589   5.9174  -0.9267   2.9864  -0.7286   4.2256  -1.1245   4.2214   14.452   6.8659   14.196   6.7773 0.2558737 9.647401 
1 1 1    2   29   15 o   10.713   5.2077  -2.7773   2.7758  -5.9222   3.9184   0.3909   3.9328   11.211   5.5855   14.721   6.8779 -3.509943 8.860169 
1 1 1    2   29   16 o   12.994   5.9746   0.1679   2.7943   1.3299   3.9540  -0.9913   3.9494   15.237   7.0423   13.580   6.5028 1.657048 9.585402 
1 1 1    2   29   17 o   12.674   5.8525   0.2378   2.7220  -3.3691   3.8017   4.0322   3.8992   11.775   5.8000   17.155   7.5317 -5.380203 9.506106 
1 1 1    2   29   18 o   12.366   5.8866  -0.0339   3.1368  -1.8041   4.2495   2.0852   4.6495   12.412   6.1176   14.604   7.0097 -2.192171 9.303789 
1 1 1    2   29   19 o   12.242   5.7124   0.9226   2.6994   1.0674   3.7663   0.7695   3.8708   12.959   6.2427   12.831   6.2169 0.1279955 8.810338 
1 1 1    2   30    0 o   9.9281   7.1855  -9.2909   5.9293  -9.2909   5.9293  -9.2909   5.9293   9.9281   7.1855   9.9281   7.1855 -0.000000 0.000000 
1 1 1    2   30    1 o   13.880   6.5532  -2.3767   3.7361   3.4275   5.3522  -7.8925   5.2176   20.904   9.0032   13.622   6.7258 7.282709 11.23806 
1 1 1    2   30    2 o   15.276   6.8755  -0.0894   3.4606   1.3217   4.7977  -1.6199   4.9964   18.447   8.2137   16.451   7.7075 1.995588 11.26370 
1 1 1    2   30    3 o   13.416   6.3181  -2.1051   3.4337   6.0654   4.8448 -10.3513   4.8671   23.489   9.1422   12.089   6.0532 11.40030 10.96455 
1 1 1    2   30    4 o   17.336   7.3287   1.9305   3.4310   7.5117   4.8716  -3.5621   4.8328   25.195   9.3120   14.862   7.1367 10.33355 11.73221 
1 1 1    2   30    5 o   14.091   6.4443  -0.5657   3.1921   0.0991   4.4124  -1.2956   4.6237   16.564   7.5758   15.810   7.4095 0.7542439 10.59689 
1 1 1    2   30    6 o   18.223   7.1837   3.0305   3.0236   3.2549   4.2525   2.8011   4.2999   19.234   8.1465   18.767   8.0761 0.4671459 11.47119 
1 1 1    2   30    7 o   13.970   6.3200  -0.0489   2.9675  -0.0596   4.1619  -0.0378   4.2325   15.768   7.2652   15.875   7.3188 -0.1068277 10.31255 
1 1 1    2   30    8 f   15.183   6.6375   1.1105   2.9996   2.2752   4.3090   0.0153   4.1782   17.747   7.8495   15.656   7.2370 2.091372 10.67655 
1 1 1    2   30    9 o   11.722   5.6107  -2.2644   2.9333  -2.7877   4.0995  -1.7155   4.1990   13.457   6.4903   14.250   6.7908 -0.7923784 9.393558 
1 1 1    2   30   10 o   11.416   5.5354  -3.0096   3.0837  -0.4363   4.1842  -6.0689   4.5623   14.876   6.9961   12.427   6.1632 2.449648 9.323689 
1 1 1    2   30   11 o   12.148   5.7298  -1.1867   2.8440  -0.0150   4.0541  -2.3222   3.9908   14.805   6.9385   13.224   6.3842 1.581470 9.428719 
1 1 1    2   30   12 o   15.639   6.6463   2.1874   2.8468   5.5604   4.0557  -1.0885   3.9969   20.010   8.1687   13.824   6.5984 6.185434 10.50075 
1 1 1    2   30   13 f   15.046   6.5185   1.8614   2.8386   3.4922   4.0748   0.3239   3.9566   17.383   7.6632   14.589   6.8427 2.793951 10.27356 
1 1 1    2   30   14 o   19.870   7.1595   5.0473   2.8531   6.5007   4.0579   3.6265   4.0123   20.537   8.2475   17.224   7.5982 3.312420 11.21400 
1 1 1    2   30   15 o   13.200   6.0287   0.7044   2.7812   1.4992   3.9160  -0.1046   3.9508   14.851   6.9135   13.744   6.5601 1.107660 9.530496 
1 1 1    2   30   16 o   10.312   5.0455  -2.3190   2.7290  -2.7673   3.8816  -1.8807   3.8376   11.686   5.7759   12.058   5.9172 -0.3718195 8.268896 
1 1 1    2   30   17 o   10.548   5.1380  -1.4268   2.7397  -2.2656   3.8249  -0.5430   3.9263   11.375   5.6418   12.259   6.0094 -0.8837767 8.242796 
1 1 1    2   31    0 o   8.3945   6.0642  -6.1118   4.1260  -6.1118   4.1260  -6.1118   4.1260   8.3945   6.0642   8.3945   6.0642 0.000000 0.000000 
1 1 1    2   31    1 o   12.962   6.0341  -0.9661   2.9835  -3.3836   4.2085   1.4764   4.2302   13.417   6.4963   16.873   7.5972 -3.456022 9.995934 
1 1 1    2   31    2 o   18.272   7.1858   3.3700   3.0190   0.5629   4.2955   6.1104   4.2440   16.118   7.4098   22.055   8.5643 -5.937790 11.32484 
1 1 1    2   31    3 o   13.360   6.1455  -0.4143   2.9607  -9.1742   4.2177   8.0957   4.1571   10.913   5.4879   25.018   8.6757 -14.10515 10.26573 
1 1 1    2   31    4 o   10.370   5.1540  -5.7810   3.2566  -8.4561   4.2975  -2.1725   4.9912   11.245   5.6387   14.949   7.1975 -3.704060 9.143250 
1 1 1    2   31    5 o   16.579   6.9254   2.4388   3.0069   4.7472   4.2458   0.1159   4.2590   19.809   8.2484   15.437   7.1941 4.371296 10.94495 
1 1 1    2   31    6 o   10.661   5.2172  -3.6552   2.9211  -3.4486   4.1664  -3.8550   4.0965   12.992   6.3302   12.680   6.1996 0.3117790 8.860422 
1 1 1    2   31    7 o   13.685   6.2526   0.2048   2.9957  -1.7332   4.2654   2.0913   4.2084   13.954   6.7016   16.658   7.5319 -2.704218 10.08172 
1 1 1    2   31    8 o   15.861   6.8371   2.1835   3.0918   2.3471   4.2563   2.0008   4.4986   16.706   7.5621   16.548   7.5986 0.1577148 10.72023 
1 1 1    2   31    9 o   16.036   6.9260   2.4008   3.1848  -2.2954   4.4640   7.2692   4.5451   13.619   6.6167   21.551   8.7026 -7.932196 10.93233 
1 1 1    2   31   10 o   10.643   5.2844  -4.9776   3.3886  -6.9799   4.5160  -2.3979   5.1260   11.621   5.8208   14.120   6.9101 -2.498352 9.034972 
1 1 1    2   31   11 o   17.305   7.3918   3.6568   3.5531   2.3653   4.8703   5.1263   5.1952   16.402   7.6600   18.447   8.3521 -2.045654 11.33279 
1 1 1    2   31   12 f   10.875   5.4291  -5.5881   3.7856 -11.8986   5.5715  -0.1765   5.1595   11.365   5.7804   14.794   7.1704 -3.428986 9.210194 
1 1 1    2   31   13 o   14.536   6.8450   1.2716   4.0294  -2.1085   5.6986   4.6513   5.6982   13.918   6.9001   16.978   8.0388 -3.060496 10.59403 
1 1 1    2   31   14 o   13.227   6.3497   0.4776   3.8194  -4.1590   5.1060   6.3675   5.7549   12.199   6.1214   16.750   7.9734 -4.551363 10.05217 
1 1 1    2   31   15 o   11.635   5.6863  -0.8761   3.4359  -2.4585   5.0020   0.5376   4.7278   12.146   6.0895   13.108   6.4588 -0.9620190 8.876884 
1 1 1    2   31   16 o   13.186   6.1988   2.2036   3.2789  -1.7921   4.5648   6.4627   4.7128   11.706   5.8615   15.593   7.3611 -3.886974 9.409689 
1 1 1    2   32    0 o   12.390   8.2928   1.0569   4.4708   1.0569   4.4708   1.0569   4.4708   12.390   8.2928   12.390   8.2928 -0.000000 0.000000 
1 1 1    2   32    1 o   23.449   8.0899   7.4640   3.6128   4.9892   5.0496   10.059   5.1710   18.973   8.4387   24.191   9.4365 -5.217804 12.65941 
1 1 1    2   32    2 o   16.738   7.2422   2.8616   3.4948   3.8443   4.9386   1.8759   4.9462   17.973   8.1395   16.523   7.7176 1.449293 11.21667 
1 1 1    2   32    3 o   11.071   5.4651  -4.3714   3.4368  -4.5224   4.9416  -4.2299   4.7831   13.148   6.5017   13.082   6.4557 0.6557560E-01 9.162316 
1 1 1    2   32    4 o   12.660   6.2014  -3.3202   4.1566  -4.7502   5.8018  -1.8122   5.9580   13.889   6.8990   15.112   7.4070 -1.222838 10.12224 
1 1 1    2   32    5 o   12.073   5.8378  -2.2125   3.3699  -2.7109   4.8379  -1.7427   4.6968   13.687   6.7013   14.008   6.8014 -0.3213768 9.548106 
1 1 1    2   32    6 o   14.422   6.5598   1.0836   3.2503   1.5741   4.4472   0.5211   4.7620   15.716   7.3331   15.225   7.2488 0.4912233 10.31108 
1 1 1    2   32    7 o   13.879   6.3308   0.8036   3.0546   1.1392   4.2803   0.4553   4.3605   15.208   7.1278   14.802   7.0153 0.4061136 10.00096 
1 1 1    2   32    8 o   9.5489   4.7712  -5.3217   2.9509  -4.3072   4.2568  -6.2601   4.0942   12.100   5.9928   11.118   5.5648 0.9823027 8.178067 
1 1 1    2   32    9 o   12.934   5.9991   0.2253   2.9078  -3.0315   4.0874   3.5623   4.1375   12.331   6.0623   16.731   7.5252 -4.399980 9.663339 
1 1 1    2   32   10 o   13.722   6.2944   1.1026   3.0765   0.6775   4.0886   1.6575   4.6710   14.154   6.7328   15.076   7.1783 -0.9216814 9.841650 
1 1 1    2   32   11 o   10.797   5.2527  -1.8432   2.8389   0.6527   4.0177  -4.3319   4.0119   13.622   6.5325   11.197   5.5899 2.425225 8.597724 
1 1 1    2   32   12 o   12.627   5.8961   0.9979   2.8833  -1.8773   4.0910   3.8356   4.0642   11.881   5.8824   15.155   7.0509 -3.274526 9.182475 
1 1 1    2   32   13 o   10.822   5.2653  -0.9249   2.8535  -1.2062   4.0059  -0.6351   4.0657   11.726   5.8086   12.016   5.9337 -0.2895975 8.303543 
1 1 1    2   32   14 o   17.734   7.0003   5.9256   2.8746   4.2905   4.0281   7.6226   4.1036   14.377   6.7928   17.002   7.5817 -2.624434 10.17956 
1 1 1    2   33    0 o   12.026   8.0651   1.2731   4.2674   1.2731   4.2674   1.2731   4.2674   12.026   8.0651   12.026   8.0651 0.000000 0.000000 
1 1 1    2   33    1 f   15.638   6.7334   2.6062   2.9920   2.8206   4.2490   2.3952   4.2140   16.175   7.4115   15.824   7.2979 0.3515415 10.40145 
1 1 1    2   33    2 o   13.023   6.0706   0.1275   3.0361  -4.5762   4.2416   5.0697   4.3478   11.868   5.8957   18.143   7.9598 -6.275398 9.905447 
1 1 1    2   33    3 o   11.019   5.3581  -2.3398   2.9448  -5.3419   4.1248   0.7808   4.2055   11.384   5.6806   14.555   6.8957 -3.171462 8.934231 
1 1 1    2   33    4 o   11.178   5.4633  -2.6423   3.1722   1.4459   4.8400  -5.7209   4.2001   15.223   7.2646   11.297   5.6516 3.926197 9.204014 
1 1 1    2   33    5 f   17.531   7.0787   4.1975   3.0070   0.9532   4.2416   7.4755   4.2636   14.476   6.8778   20.415   8.3596 -5.939195 10.82531 
1 1 1    2   33    6 o   10.849   5.3185  -2.6681   3.0750  -2.4612   4.2420  -2.8972   4.4638   12.458   6.1346   12.490   6.1772 -0.3262138E-01 8.705798 
1 1 1    2   33    7 f   17.309   7.1574   4.5724   3.1657   8.1983   4.4612   0.8948   4.4929   19.925   8.3865   14.068   6.7874 5.856578 10.78894 
1 1 1    2   33    8 o   12.975   6.0934   0.9596   3.1554  -4.6347   4.4786   6.4735   4.4463   11.375   5.7116   17.447   7.8278 -6.071635 9.690054 
1 1 1    2   33    9 o   13.792   6.4035   2.3226   3.3251   6.0711   4.8424  -1.0217   4.5739   16.069   7.5473   12.421   6.1622 3.648153 9.743451 
1 1 1    2   33   10 o   8.6427   4.4162  -9.1987   3.5756  -8.5740   4.6784 -10.0762   5.5447   10.048   5.1273   10.486   5.3693 -0.4382238 7.424217 
1 1 1    2   33   11 o   14.670   6.6481   4.1476   3.3013   4.0172   4.7410   4.2703   4.5997   13.908   6.7713   14.077   6.8103 -0.1689854 9.603648 
1 1 1    2   34    0 o   8.0775   5.8678  -4.9287   4.1527  -4.9287   4.1527  -4.9287   4.1527   8.0775   5.8678   8.0775   5.8678 0.000000 0.000000 
1 1 1    2   34    1 o   13.742   6.2722   2.1470   3.0041   5.5478   4.2403  -1.2799   4.2566   16.401   7.4727   12.250   6.0533 4.151796 9.616836 
1 1 1    2   34    2 o   10.557   5.1835  -1.9597   2.9568   4.8422   4.2239  -8.4955   4.1405   15.734   7.2742   9.7233   4.9489 6.010530 8.798053 
1 1 1    2   34    3 o   15.513   6.7187   3.9332   3.0135   2.1018   4.2348   5.8120   4.2892   13.732   6.6163   16.258   7.4484 -2.525925 9.962660 
1 1 1    2   34    4 o   12.687   6.0168   1.2093   3.2174  -4.4149   4.8665   5.5764   4.2883   11.341   5.7273   15.823   7.3203 -4.481166 9.294522 
1 1 1    2   34    5 o   11.311   5.4712  -0.3005   2.9666  -0.8356   4.1618   0.2523   4.2298   11.940   5.9155   12.451   6.1304 -0.5116949 8.519070 
1 1 1    2   34    6 o   15.724   6.7127   4.5626   2.9270   5.8286   4.1297   3.2847   4.1492   15.550   7.1905   13.791   6.6199 1.759286 9.773797 
1 1 1    2   34    7 o   17.378   7.0345   6.0160   2.9778   6.4963   4.2342   5.5461   4.1886   15.619   7.2428   14.966   7.0262 0.6529312 10.09086 
1 1 1    2   34    8 o   10.342   5.0902  -1.2225   2.9090  -1.2953   4.0859  -1.1477   4.1426   11.252   5.6208   11.340   5.6639 -0.8788204E-01 7.979557 
1 1 1    3    0    1 o  522.125   2.9644  2139.53   24.288  2139.53   24.288  2139.53   24.288  522.125   2.9644  522.125   2.9644 -0.000000 0.000000 
1 1 1    3    0    2 o  784.800   4.2385  4834.33   52.198  4834.33   52.198  4834.33   52.198  784.800   4.2385  784.800   4.2385 -0.000000 0.000000 
1 1 1    3    0    3 o  286.289   1.9291  643.228   8.6659  643.228   8.6659  643.228   8.6659  286.289   1.9291  286.289   1.9291 -0.000000 0.000000 
1 1 1    3    0    4 f  929.419   4.9551  6780.76   72.268  6780.76   72.268  6780.76   72.268  929.419   4.9551  929.419   4.9551 -0.000000 0.000000 
1 1 1    3    0    5 o  1409.31   7.3856 15597.02  163.331 15597.02  163.331 15597.02  163.331  1409.31   7.3856  1409.31   7.3856 0.000000 0.000000 
1 1 1    3    0    6 o  272.719   1.8816  583.702   8.0521  583.702   8.0521  583.702   8.0521  272.719   1.8816  272.719   1.8816 -0.000000 0.000000 
1 1 1    3    0    7 o  836.579   4.4932  5493.92   58.985  5493.92   58.985  5493.92   58.985  836.579   4.4932  836.579   4.4932 -0.000000 0.000000 
1 1 1    3    0    8 o  295.011   1.9701  683.042   9.1199  683.042   9.1199  683.042   9.1199  295.011   1.9701  295.011   1.9701 -0.000000 0.000000 
1 1 1    3    0    9 o  153.521   1.5151  184.999   3.6493  184.999   3.6493  184.999   3.6493  153.521   1.5151  153.521   1.5151 0.000000 0.000000 
1 1 1    3    0   10 o  217.645   1.6951  371.781   5.7887  371.781   5.7887  371.781   5.7887  217.645   1.6951  217.645   1.6951 -0.000000 0.000000 
1 1 1    3    0   11 f   23.789   2.9839   4.6466   1.0665   4.6466   1.0665   4.6466   1.0665   23.789   2.9839   23.789   2.9839 0.000000 0.000000 
1 1 1    3    0   12 o  510.300   2.9153  2043.81   23.344  2043.81   23.344  2043.81   23.344  510.300   2.9153  510.300   2.9153 -0.000000 0.000000 
1 1 1    3    0   13 o  165.937   1.5673  216.122   4.0805  216.122   4.0805  216.122   4.0805  165.937   1.5673  165.937   1.5673 0.000000 0.000000 
1 1 1    3    0   14 o   82.263   1.8387   53.181   2.3710   53.181   2.3710   53.181   2.3710   82.263   1.8387   82.263   1.8387 0.000000 0.000000 
1 1 1    3    0   15 o  216.049   2.4127  366.432   8.1777  366.432   8.1777  366.432   8.1777  216.049   2.4127  216.049   2.4127 0.000000 0.000000 
1 1 1    3    0   16 o  320.948   2.9565  808.624   14.888  808.624   14.888  808.624   14.888  320.948   2.9565  320.948   2.9565 -0.000000 0.000000 
1 1 1    3    0   17 o  206.979   2.8374  336.426   9.2123  336.426   9.2123  336.426   9.2123  206.979   2.8374  206.979   2.8374 0.000000 0.000000 
1 1 1    3    0   18 o  173.780   2.3420  237.160   6.3843  237.160   6.3843  237.160   6.3843  173.780   2.3420  173.780   2.3420 0.000000 0.000000 
1 1 1    3    0   19 o  133.185   2.2881  139.372   4.7791  139.372   4.7791  139.372   4.7791  133.185   2.2881  133.185   2.2881 -0.000000 0.000000 
1 1 1    3    0   20 o   63.692   3.1433   32.102   3.1243   32.102   3.1243   32.102   3.1243   63.692   3.1433   63.692   3.1433 0.000000 0.000000 
1 1 1    3    0   21 o  108.555   2.3193   92.672   3.9470   92.672   3.9470   92.672   3.9470  108.555   2.3193  108.555   2.3193 -0.000000 0.000000 
1 1 1    3    0   22 o   48.942   3.2177   19.078   2.4465   19.078   2.4465   19.078   2.4465   48.942   3.2177   48.942   3.2177 0.000000 0.000000 
1 1 1    3    0   23 f   33.693   6.4293   9.8992   3.0405   9.8992   3.0405   9.8992   3.0405   33.693   6.4293   33.693   6.4293 0.000000 0.000000 
1 1 1    3    0   24 o   24.080   6.3837   5.4512   2.0841   5.4512   2.0841   5.4512   2.0841   24.080   6.3837   24.080   6.3837 -0.000000 0.000000 
1 1 1    3    0   25 o  202.279   2.4479  322.039   7.7679  322.039   7.7679  322.039   7.7679  202.279   2.4479  202.279   2.4479 -0.000000 0.000000 
1 1 1    3    0   26 o   30.148   5.6996   7.9581   2.4157   7.9581   2.4157   7.9581   2.4157   30.148   5.6996   30.148   5.6996 -0.000000 0.000000 
1 1 1    3    0   27 f   87.249   2.7337   60.235   3.7347   60.235   3.7347   60.235   3.7347   87.249   2.7337   87.249   2.7337 -0.000000 0.000000 
1 1 1    3    0   28 o   28.621   5.3707   7.2010   2.1639   7.2010   2.1639   7.2010   2.1639   28.621   5.3707   28.621   5.3707 0.000000 0.000000 
1 1 1    3    0   29 o   21.728   5.0835   4.3383   1.5066   4.3383   1.5066   4.3383   1.5066   21.728   5.0835   21.728   5.0835 -0.000000 0.000000 
1 1 1    3    1    0 o  484.317   3.9425  1841.25   29.960  1841.25   29.960  1841.25   29.960  484.317   3.9425  484.317   3.9425 0.000000 0.000000 
1 1 1    3    1    1 o  1768.08   6.5181 24556.64  180.855 24485.77  254.900 24628.48  256.644  1764.54   9.2052  1769.66   9.2413 -5.119263 13.04365 
1 1 1    3    1    2 o  242.821   1.5070  462.675   5.7425  466.273   8.5635  459.735   7.7410  243.755   2.2387  242.042   2.0380 1.712280 3.027361 
1 1 1    3    1    3 f  669.969   2.5958  3522.60   27.292  3508.04   38.432  3537.42   38.765  668.523   3.6632  671.316   3.6796 -2.792664 5.192204 
1 1 1    3    1    4 o  315.618   1.4489  781.671   7.1764  802.247   10.353  762.638   9.9568  319.736   2.0633  311.743   2.0352 7.992432 2.898149 
1 1 1    3    1    5 o  297.662   1.3991  695.259   6.5354  692.442   9.2144  698.110   9.2708  297.051   1.9766  298.264   1.9807 -1.213196 2.798239 
1 1 1    3    1    6 o  413.666   1.7467  1342.81   11.339  1356.58   16.180  1329.53   15.895  415.761   2.4798  411.596   2.4609 4.165497 3.493641 
1 1 1    3    1    7 o   97.742   1.1398   74.966   1.7482   76.010   2.3889   73.762   2.5653   98.419   1.5467   96.952   1.6861 1.467148 2.288055 
1 1 1    3    1    8 o  202.277   1.3463  321.073   4.2737  322.251   5.5829  319.407   6.6418  202.642   1.7556  201.740   2.0979 0.9020691 2.735579 
1 1 1    3    1    9 o  389.585   1.6737  1191.09   10.233  1187.82   14.428  1194.40   14.515  389.021   2.3633  390.095   2.3710 -1.074982 3.347665 
1 1 1    3    1   10 o  412.730   1.7453  1336.84   11.304  1331.13   15.921  1342.65   16.054  411.812   2.4636  413.591   2.4734 -1.778168 3.490962 
1 1 1    3    1   11 o  289.685   1.7494  658.558   7.9529  659.355   12.593  658.029   10.257  289.829   2.7688  289.555   2.2573 0.2739868 3.572321 
1 1 1    3    1   12 o  128.089   1.2331  128.744   2.4787  129.191   3.5584  128.322   3.4548  128.308   1.7672  127.876   1.7216 0.4318542 2.467189 
1 1 1    3    1   13 o  597.906   2.3583  2805.56   22.128  2825.61   31.509  2786.04   31.083  599.987   3.3464  595.772   3.3246 4.214355 4.717112 
1 1 1    3    1   14 o  464.959   2.2137  1696.58   16.153  1698.02   22.848  1695.14   22.838  465.120   3.1303  464.725   3.1315 0.3950195 4.427771 
1 1 1    3    1   15 o  229.634   1.3706  413.793   4.9393  414.675   7.2883  413.043   6.7171  229.869   2.0204  229.419   1.8657 0.4500427 2.750084 
1 1 1    3    1   16 o   56.976   1.6997   25.498   1.5180   26.812   2.1063   24.078   2.1897   58.403   2.3027   55.329   2.5286 3.074333 3.419973 
1 1 1    3    1   17 o  212.345   1.6161  353.866   5.3854  354.548   7.1894  352.993   8.1291  212.535   2.1555  212.059   2.4427 0.4761963 3.257808 
1 1 1    3    1   18 o  123.428   1.4505  119.565   2.8096  120.619   4.2318  118.734   3.7571  123.954   2.1755  122.987   1.9466 0.9663315 2.919272 
1 1 1    3    1   19 o   28.901   2.8473   6.6268   1.2746   6.4421   1.7544   6.8334   1.8551   28.326   4.0627   29.173   4.1705 -0.8472042 5.822266 
1 1 1    3    1   20 o  204.758   1.9961  329.304   6.4140  330.669   9.0828  327.947   9.0588  205.079   2.8222  204.233   2.8264 0.8465271 3.994183 
1 1 1    3    1   21 o   83.733   2.0023   55.085   2.6311   51.634   3.7034   58.603   3.7388   80.955   2.9198   86.270   2.7652 -5.314468 4.021420 
1 1 1    3    1   22 o  125.468   1.8741  123.706   3.6900  122.077   5.2426  125.305   5.1948  124.542   2.6824  126.186   2.6233 -1.644218 3.751936 
1 1 1    3    1   23 o   53.182   4.5548   22.597   3.7648   21.740   4.9621   23.760   5.7793   51.751   6.2354   53.912   6.9957 -2.161034 9.371241 
1 1 1    3    1   24 o   27.827   4.1568   6.2753   1.7597   6.4937   2.6505   6.1031   2.3530   27.889   6.2150   27.112   5.7111 0.7777100 8.440540 
1 1 1    3    1   25 o   25.740   3.8838   5.3806   1.5200   5.9592   2.2547   4.8985   2.0580   26.730   5.5565   24.199   5.5393 2.531933 7.845939 
1 1 1    3    1   26 o   24.009   3.9689   4.7209   1.4432   5.5282   2.0678   3.9541   2.0152   25.685   5.3056   21.650   5.8106 4.035900 7.868398 
1 1 1    3    1   27 o   14.436   4.9328   1.5787   1.3423   3.3898   1.8992  -0.2291   1.8974   20.033   5.7440   12.146   5.2951 7.886736 7.812246 
1 1 1    3    1   28 o   18.618   4.2989   2.9170   1.2306   1.3485   1.8251   4.2246   1.6665   14.781   5.6483   22.325   4.8921 -7.543449 7.472364 
1 1 1    3    1   29 o   9.2319   4.4658  -2.9808   1.9768  -5.2046   2.4343   1.3250   3.3873   9.2115   4.5567   17.746   7.3767 -8.534312 8.670541 
1 1 1    3    1   30 o   16.798   5.4293   2.3874   1.6312   4.1263   2.2637   0.5094   2.3525   21.422   6.3090   14.235   6.0453 7.187247 8.737807 
1 1 1    3    2    0 o  567.784   3.1824  2530.13   28.354  2530.13   28.354  2530.13   28.354  567.784   3.1824  567.784   3.1824 0.000000 0.000000 
1 1 1    3    2    1 o  600.482   2.3603  2829.71   22.243  2828.53   31.441  2830.88   31.471  600.314   3.3374  600.562   3.3392 -0.2489014 4.721050 
1 1 1    3    2    2 o   51.788   1.2522   21.046   1.0177   20.145   1.4273   21.977   1.4514   50.635   1.7990   52.892   1.7510 -2.256794 2.510491 
1 1 1    3    2    3 o  415.446   1.7534  1354.38   11.432  1350.44   16.121  1358.37   16.213  414.824   2.4764  416.040   2.4832 -1.215332 3.506970 
1 1 1    3    2    4 o  639.453   2.4931  3208.97   25.018  3209.70   35.385  3208.23   35.377  639.473   3.5260  639.327   3.5261 0.1464844 4.986609 
1 1 1    3    2    5 o  734.018   2.8199  4228.50   32.482  4253.52   46.223  4204.09   45.656  736.103   4.0014  731.816   3.9755 4.287048 5.640492 
1 1 1    3    2    6 f  880.825   3.4438  6090.00   47.604  6138.46   70.277  6048.91   64.711  884.132   5.0651  877.709   4.6981 6.423706 6.908465 
1 1 1    3    2    7 o  471.587   1.9361  1745.27   14.329  1748.35   20.304  1742.21   20.223  471.970   2.7414  471.142   2.7353 0.8284912 3.872571 
1 1 1    3    2    8 o  483.952   2.1943  1838.14   16.665  1857.93   22.944  1816.04   24.247  486.502   3.0052  480.972   3.2124 5.530090 4.398930 
1 1 1    3    2    9 o  129.475   1.0698  131.546   2.1736  129.192   3.0548  133.960   3.0935  128.307   1.5171  130.654   1.5088 -2.346756 2.139645 
1 1 1    3    2   10 o  381.340   1.8314  1141.25   10.959  1151.86   16.248  1132.39   14.845  383.067   2.7028  379.827   2.4905 3.239349 3.675303 
1 1 1    3    2   11 o   49.381   1.4210   19.151   1.1001   17.643   1.5441   20.705   1.5676   47.369   2.0823   51.327   1.9497 -3.958523 2.852638 
1 1 1    3    2   12 o  525.692   2.2600  2168.80   18.644  2184.65   26.543  2153.37   26.194  527.560   3.2061  523.770   3.1867 3.789307 4.520420 
1 1 1    3    2   13 o  150.827   1.4408  178.510   3.4104  181.074   5.1241  176.471   4.5694  151.900   2.1496  149.959   1.9417 1.941147 2.896705 
1 1 1    3    2   14 o  219.104   1.4191  376.710   4.8795  366.267   6.7756  387.962   7.0331  216.039   1.9985  222.345   2.0156 -6.305969 2.838449 
1 1 1    3    2   15 o  189.957   1.3609  283.151   4.0569  277.373   6.3373  287.163   5.2808  187.998   2.1481  191.293   1.7591 -3.294937 2.776437 
1 1 1    3    2   16 o  187.612   1.3707  276.208   4.0357  275.582   5.6888  276.842   5.7260  187.390   1.9345  187.818   1.9427 -0.4281311 2.741600 
1 1 1    3    2   17 o  278.399   1.5971  608.260   6.9775  604.061   9.7954  612.586   9.9416  277.412   2.2500  279.362   2.2677 -1.949799 3.194535 
1 1 1    3    2   18 o   98.144   1.3354   75.594   2.0567   75.105   2.8743   76.107   2.9441   97.816   1.8725   98.466   1.9053 -0.6495743 2.671386 
1 1 1    3    2   19 o  109.542   1.3571   94.187   2.3329   91.807   3.3958   96.313   3.2104  108.128   2.0012  110.756   1.8471 -2.627731 2.723374 
1 1 1    3    2   20 o   37.953   2.0115   11.346   1.1938   12.547   1.6804   10.122   1.6962   39.859   2.7024   35.744   3.0531 4.114624 4.077304 
1 1 1    3    2   21 o   92.242   1.3194   66.801   1.9099   66.342   2.7014   67.261   2.7007   91.897   1.8732   92.532   1.8598 -0.6349564 2.639641 
1 1 1    3    2   22 o   31.014   2.5065   7.6167   1.2095   7.2738   1.6773   7.9882   1.7458   30.149   3.6172   31.621   3.5812 -1.471571 5.090043 
1 1 1    3    2   23 o   79.388   2.7146   49.708   3.3769   51.862   4.6870   47.382   4.8696   80.916   3.7009   77.266   4.0300 3.649841 5.471499 
1 1 1    3    2   24 o  109.588   1.6770   94.410   2.8840   95.377   4.1641   93.519   3.9982  110.036   2.4114  108.972   2.3380 1.063774 3.358748 
1 1 1    3    2   25 o   80.257   2.0624   50.767   2.5954   49.645   3.7641   51.784   3.5833   79.159   3.0357   80.900   2.8268 -1.740433 4.148084 
1 1 1    3    2   26 o   31.287   3.4259   7.8764   1.6546   7.3503   2.3920   8.3591   2.2912   29.702   5.3275   31.905   4.7181 -2.203266 7.116354 
1 1 1    3    2   27 o   47.866   2.3940   18.177   1.7926   14.576   2.5017   21.977   2.5700   42.485   3.7920   52.447   3.1368 -9.961132 4.921307 
1 1 1    3    2   28 o   50.240   3.3350   20.293   2.6145   25.268   3.8579   16.067   3.5555   55.581   4.4604   43.881   5.2685 11.70006 6.903052 
1 1 1    3    2   29 o   17.094   6.0897   2.2553   2.0579   2.9621   2.9202   1.5581   2.9004   19.585   7.2147   17.191   6.9482 2.394073 10.01646 
1 1 1    3    2   30 o   45.840   3.3395   17.110   2.3858   18.596   3.3299   15.542   3.4200   47.080   4.5643   42.585   5.2270 4.494587 6.939290 
1 1 1    3    2   31 o   10.738   4.8194  -0.4414   1.6870   0.4254   2.2942  -1.4619   2.4893   13.643   5.8853   11.882   5.5247 1.761107 8.072110 
1 1 1    3    2   32 o   21.480   7.2807   4.8320   2.9233   4.8320   2.9233   0.0000   0.0000   21.480   7.2807  ?   ?  0.000000 7.280672 
1 1 1    3    3    0 o  112.012   2.1029   98.559   3.6935   98.559   3.6935   98.559   3.6935  112.012   2.1029  112.012   2.1029 -0.000000 0.000000 
1 1 1    3    3    1 f  208.615   1.4296  341.502   4.6801  337.647   6.3071  346.225   6.9814  207.430   1.9376  210.046   2.1180 -2.616409 2.870518 
1 1 1    3    3    2 o  505.466   2.0492  2004.97   16.255  2018.44   23.124  1991.82   22.854  507.132   2.9055  503.777   2.8907 3.355377 4.098601 
1 1 1    3    3    3 o  466.905   1.9230  1710.71   14.090  1700.53   19.815  1721.13   20.040  465.491   2.7126  468.302   2.7268 -2.811005 3.846248 
1 1 1    3    3    4 o  553.334   2.2072  2402.75   19.166  2421.38   27.306  2384.66   26.907  555.438   3.1327  551.211   3.1106 4.227295 4.414719 
1 1 1    3    3    5 o  454.760   2.0160  1622.90   14.387  1602.43   20.108  1644.38   20.595  451.855   2.8357  457.731   2.8671 -5.875610 4.032511 
1 1 1    3    3    6 o  520.987   2.2450  2130.11   18.355  2120.09   25.836  2140.32   26.081  519.716   3.1678  522.189   3.1826 -2.472839 4.490421 
1 1 1    3    3    7 o  375.746   1.7534  1107.95   10.339  1107.00   14.619  1108.90   14.625  375.562   2.4804  375.884   2.4793 -0.3215942 3.507034 
1 1 1    3    3    8 o  392.170   2.5503  1207.17   15.695  1197.14   23.763  1214.93   20.904  390.452   3.8782  393.379   3.3861 -2.926300 5.148450 
1 1 1    3    3    9 o  214.557   1.4698  361.255   4.9487  362.068   7.3452  360.579   6.6968  214.782   2.1792  214.345   1.9909 0.4371338 2.951717 
1 1 1    3    3   10 o  242.747   1.3666  462.411   5.2061  459.306   7.9012  464.793   6.9209  241.915   2.0812  243.363   1.8122 -1.447510 2.759624 
1 1 1    3    3   11 o  502.919   2.0458  1984.96   16.146  1989.55   22.892  1980.42   22.776  503.454   2.8975  502.298   2.8895 1.155396 4.092000 
1 1 1    3    3   12 o  259.879   1.3304  529.964   5.4256  516.807   7.5526  543.995   7.7991  256.625   1.8754  263.289   1.8876 -6.663361 2.660840 
1 1 1    3    3   13 o  194.796   1.2889  297.755   3.9400  292.867   5.5650  302.668   5.5789  193.185   1.8356  196.392   1.8102 -3.206253 2.578027 
1 1 1    3    3   14 o  367.613   1.6264  1060.47   9.3826  1052.96   13.196  1068.14   13.343  366.294   2.2957  368.924   2.3046 -2.629211 3.252946 
1 1 1    3    3   15 f  106.982   1.1442   89.810   1.9210   91.698   2.7567   88.029   2.6783  108.098   1.6251  105.913   1.6114 2.184372 2.288528 
1 1 1    3    3   16 o  172.250   1.2569  232.825   3.3975  231.434   4.8034  234.218   4.8061  171.728   1.7824  172.758   1.7728 -1.029922 2.513878 
1 1 1    3    3   17 o  315.266   1.7265  780.060   8.5419  771.851   11.992  788.514   12.170  313.569   2.4370  316.935   2.4469 -3.366028 3.453437 
1 1 1    3    3   18 o  105.928   1.3897   88.064   2.3101   85.185   3.2647   90.952   3.2694  104.169   1.9971  107.639   1.9355 -3.470306 2.781076 
1 1 1    3    3   19 o   49.826   1.8856   19.522   1.4717   21.642   2.0878   17.427   2.0749   52.423   2.5454   47.006   2.8258 5.417297 3.803222 
1 1 1    3    3   20 o  111.540   1.3537   97.667   2.3696   94.529   3.3466  100.822   3.3555  109.705   1.9439  113.301   1.8872 -3.595970 2.709308 
1 1 1    3    3   21 o  110.185   1.3515   95.322   2.3369   98.585   3.3491   92.226   3.2623  112.020   1.9051  108.345   1.9187 3.674347 2.703867 
1 1 1    3    3   22 o   39.529   2.1212   12.321   1.3111   13.302   1.8603   11.352   1.8480   40.994   2.9107   37.825   3.1416 3.169106 4.282716 
1 1 1    3    3   23 o   16.093   4.7148   2.0938   1.2670   1.2101   1.6067   3.5471   2.0605   14.214   5.3293   20.813   5.9879 -6.598592 8.016023 
1 1 1    3    3   24 o   28.050   2.5526   6.2521   1.1113   4.1465   1.5710   8.3611   1.5723   22.425   4.6181   32.385   3.1328 -9.960304 5.580443 
1 1 1    3    3   25 o   77.881   1.3669   47.676   1.6706   48.819   2.3961   46.594   2.3304   78.741   1.9391   76.902   1.9326 1.838509 2.737678 
1 1 1    3    3   26 o   47.957   2.3779   18.215   1.7840   14.743   2.7472   20.747   2.3460   42.711   4.1510   51.070   2.9397 -8.359058 5.086508 
1 1 1    3    3   27 f   39.582   2.4851   12.458   1.5359   12.257   2.1916   12.651   2.1530   38.973   3.6249   39.639   3.4969 -0.6652031 5.036716 
1 1 1    3    3   28 o   11.318   5.3137  -2.2152   2.3963   0.6963   3.5601  -4.6269   3.2402   17.437   7.4222   11.873   5.7369 5.564292 9.380858 
1 1 1    3    3   29 o   14.837   6.6693  -0.8618   3.2446   0.1240   4.6978  -1.7610   4.4866   18.627   8.2191   16.630   7.6183 1.997328 11.20680 
1 1 1    3    3   30 o   38.648   6.0562   13.223   3.5526   12.520   4.8878   14.010   5.1725   35.384   8.8309   37.410   8.9341 -2.026157 12.56197 
1 1 1    3    3   31 f   26.936   5.3506   6.5510   2.1819   7.1708   3.0397   5.8922   3.1339   26.934   7.0944   24.136   7.4922 2.797266 10.31818 
1 1 1    3    3   32 o   12.835   5.4161   0.7064   1.8683   2.3524   2.6088  -1.0266   2.6768   16.779   6.6544   12.482   5.7779 4.297067 8.812757 
1 1 1    3    3   33 o   12.248   5.0811   0.7918   1.6025   0.4920   2.1539   1.1636   2.3982   12.932   5.6395   14.349   6.0992 -1.417391 8.306842 
1 1 1    3    4    0 f  424.461   3.5871  1414.23   23.890  1414.23   23.890  1414.23   23.890  424.461   3.5871  424.461   3.5871 0.000000 0.000000 
1 1 1    3    4    1 o  483.650   2.5084  1835.74   19.039  1834.02   26.891  1837.48   26.958  483.382   3.5450  483.838   3.5504 -0.4559021 5.017238 
1 1 1    3    4    2 o  415.539   2.3559  1355.08   15.363  1357.31   20.632  1352.31   23.017  415.855   3.1614  415.075   3.5336 0.7803955 4.741401 
1 1 1    3    4    3 o  743.868   3.6182  4343.32   42.237  4356.80   59.912  4330.01   59.553  744.888   5.1253  742.596   5.1103 2.292114 7.237632 
1 1 1    3    4    4 o  495.655   2.3387  1927.99   18.191  1917.43   25.612  1938.74   25.842  494.257   3.3021  496.996   3.3133 -2.739319 4.677823 
1 1 1    3    4    5 o  155.137   1.2930  188.856   3.1479  189.610   4.4648  188.112   4.4390  155.442   1.8303  154.827   1.8270 0.6152344 2.586112 
1 1 1    3    4    6 o  372.489   1.8943  1088.83   11.073  1108.77   15.882  1069.98   15.445  375.858   2.6927  369.226   2.6656 6.631989 3.788965 
1 1 1    3    4    7 o  305.180   1.6702  730.875   7.9991  719.051   11.181  743.271   11.448  302.683   2.3539  307.738   2.3706 -5.055023 3.340760 
1 1 1    3    4    8 o  373.503   2.6728  1095.05   15.666  1092.26   22.112  1097.85   22.199  372.957   3.7780  373.910   3.7832 -0.9530945 5.346609 
1 1 1    3    4    9 o   87.706   1.3447   60.364   1.8508   60.792   2.6518   59.957   2.5845   88.011   1.9200   87.405   1.8842 0.6059265 2.690067 
1 1 1    3    4   10 o  268.954   1.5668  567.659   6.6131  577.677   9.4831  558.176   9.2267  271.300   2.2274  266.682   2.2047 4.617798 3.133982 
1 1 1    3    4   11 f  206.944   1.4843  336.064   4.8203  339.049   6.5683  332.580   7.0961  207.853   2.0137  205.858   2.1966 1.995544 2.979899 
1 1 1    3    4   12 o  446.813   2.1636  1566.74   15.171  1549.11   21.260  1585.03   21.655  444.258   3.0494  449.378   3.0707 -5.120239 4.327606 
1 1 1    3    4   13 o  559.870   2.5894  2460.04   22.750  2416.87   31.626  2506.34   32.751  554.881   3.6319  565.054   3.6935 -10.17291 5.180011 
1 1 1    3    4   14 o  238.734   1.4998  447.241   5.6191  455.736   8.0729  439.258   7.8259  240.981   2.1347  236.585   2.1079 4.396133 3.000016 
1 1 1    3    4   15 o  206.362   1.7154  334.192   5.5554  332.832   9.0709  335.008   7.0275  205.918   2.8070  206.605   2.1675 -0.6874542 3.546474 
1 1 1    3    4   16 o  213.796   1.4360  358.695   4.8179  356.080   6.8222  361.298   6.8048  213.003   2.0410  214.559   2.0210 -1.555374 2.872259 
1 1 1    3    4   17 f  120.059   1.4451  113.121   2.7228  113.884   3.5650  112.053   4.2181  120.456   1.8859  119.476   2.2497 0.9799957 2.935617 
1 1 1    3    4   18 o  258.541   1.7099  524.692   6.9378  534.402   9.9466  515.492   9.6817  260.870   2.4297  256.215   2.4079 4.655151 3.420704 
1 1 1    3    4   19 o  198.324   1.7818  308.830   5.5455  304.295   7.8457  313.358   7.8393  196.794   2.5405  199.706   2.5014 -2.913040 3.565220 
1 1 1    3    4   20 o   67.574   1.9823   35.899   2.0998   37.488   2.9209   34.199   3.0208   68.998   2.7028   65.875   2.9294 3.122429 3.985800 
1 1 1    3    4   21 o   20.721   4.2367   3.5133   1.3312   4.1058   1.9174   2.9619   1.8495   22.316   5.5087   19.194   5.7155 3.122295 7.938053 
1 1 1    3    4   22 o   29.358   3.0587   6.8649   1.3885   9.3775   2.0027   4.5392   1.9268   34.251   3.7892   23.439   5.3559 10.81270 6.560787 
1 1 1    3    4   23 o   38.578   2.3605   11.759   1.4222   12.876   1.9984   10.612   2.0244   40.268   3.1884   36.469   3.5835 3.799461 4.796640 
1 1 1    3    4   24 f   87.155   1.4597   59.694   1.9965   60.643   2.8500   58.779   2.7977   87.777   2.0690   86.418   2.0630 1.359077 2.921753 
1 1 1    3    4   25 o   50.355   1.8281   19.986   1.4422   21.504   2.0773   18.573   2.0039   52.127   2.5471   48.418   2.6474 3.708832 3.673754 
1 1 1    3    4   26 o   82.368   1.4896   53.385   1.9255   55.665   2.8980   51.583   2.5764   83.941   2.2019   80.843   2.0324 3.097778 2.996498 
1 1 1    3    4   27 o   79.059   1.5506   49.231   1.9238   49.788   2.6982   48.655   2.7438   79.332   2.1693   78.405   2.2322 0.9268494 3.112694 
1 1 1    3    4   28 o   26.677   2.3501   5.6860   0.9738   6.1068   1.4507   5.3409   1.3138   27.383   3.4524   25.611   3.3491 1.772476 4.809941 
1 1 1    3    4   29 o   29.101   5.7166   7.3610   2.5175   8.5916   3.5921   6.1730   3.5293   30.534   7.5416   25.828   7.9395 4.706377 10.95038 
1 1 1    3    4   30 o   32.301   5.2291   9.0623   2.5601   14.916   3.6787   3.5654   3.5650   41.128   5.8657   20.684   7.8965 20.44456 9.836742 
1 1 1    3    4   31 f   9.8099   4.7366  -2.8353   2.1987  -3.6876   3.0445  -1.9063   3.1787   11.458   5.5424   13.069   6.1307 -1.610797 8.264647 
1 1 1    3    4   32 f   26.748   7.7336   7.8585   3.4292   11.430   4.7562   3.9920   4.9487   30.469   9.1870   20.194   8.6767 10.27484 12.63672 
1 1 1    3    4   33 o   11.031   5.0140  -0.4371   1.8952  -0.1975   2.6513  -0.6874   2.7100   13.039   5.9284   12.653   5.8416 0.3865280 8.322883 
1 1 1    3    4   34 o   18.647   5.7786   3.7326   1.8652   5.1025   2.5805   2.2340   2.6990   20.605   6.8388   15.384   6.5016 5.221133 9.436080 
1 1 1    3    5    0 o  360.032   2.2756  1017.28   12.856  1017.28   12.856  1017.28   12.856  360.032   2.2756  360.032   2.2756 -0.000000 0.000000 
1 1 1    3    5    1 o  405.687   1.7452  1291.51   11.111  1292.64   15.725  1290.38   15.701  405.848   2.4690  405.494   2.4674 0.3542480 3.490525 
1 1 1    3    5    2 o  305.093   1.4552  730.410   6.9675  719.584   9.7448  741.732   9.9659  302.815   2.0506  307.439   2.0656 -4.624512 2.910656 
1 1 1    3    5    3 o  409.858   2.0354  1318.24   13.091  1331.71   18.701  1305.31   18.333  411.920   2.8930  407.816   2.8645 4.103333 4.071217 
1 1 1    3    5    4 o  394.236   1.8328  1219.65   11.339  1208.61   15.920  1231.02   16.154  392.426   2.5851  396.048   2.5991 -3.621399 3.665842 
1 1 1    3    5    5 o  408.670   1.8800  1310.62   12.057  1299.61   16.930  1321.96   17.174  406.924   2.6512  410.407   2.6665 -3.482971 3.760221 
1 1 1    3    5    6 o  219.859   1.3417  379.314   4.6294  378.708   6.5535  379.917   6.5403  219.675   1.9010  220.025   1.8942 -0.3504791 2.683609 
1 1 1    3    5    7 o  247.488   1.3220  480.643   5.1344  478.213   7.2282  483.119   7.2947  246.850   1.8659  248.113   1.8735 -1.262833 2.644155 
1 1 1    3    5    8 o   50.564   1.8339   20.092   1.4528   20.654   2.1472   19.617   1.9731   51.225   2.6803   49.928   2.5264 1.297726 3.683338 
1 1 1    3    5    9 o  108.863   1.3542   93.000   2.3135   91.554   3.2769   94.436   3.2667  108.008   1.9333  109.695   1.8976 -1.687103 2.709008 
1 1 1    3    5   10 o  151.714   1.1796  180.617   2.8085  181.076   3.9888  180.166   3.9551  151.902   1.6733  151.520   1.6633 0.3818817 2.359364 
1 1 1    3    5   11 o  335.474   1.6035  883.154   8.4421  881.954   12.359  884.203   11.559  335.228   2.3493  335.659   2.1943 -0.4315796 3.214725 
1 1 1    3    5   12 o  319.378   1.5129  800.420   7.5827  802.680   10.762  798.193   10.685  319.817   2.1443  318.922   2.1350 0.8950806 3.025934 
1 1 1    3    5   13 o  380.891   1.6885  1138.46   10.093  1131.83   14.219  1145.19   14.328  379.763   2.3860  381.998   2.3901 -2.235565 3.377170 
1 1 1    3    5   14 o  316.526   1.6071  786.208   7.9827  797.761   11.423  775.181   11.160  318.827   2.2831  314.283   2.2628 4.543976 3.214411 
1 1 1    3    5   15 o  325.424   1.6357  831.059   8.3535  831.283   11.855  830.837   11.773  325.447   2.3212  325.360   2.3057 0.8673096E-01 3.271761 
1 1 1    3    5   16 o  145.921   1.4544  167.097   3.3304  168.701   5.0898  165.896   4.4040  146.607   2.2123  145.389   1.9303 1.218842 2.935974 
1 1 1    3    5   17 o  117.080   1.2942  107.576   2.3779  108.822   3.4563  106.455   3.2766  117.747   1.8705  116.461   1.7928 1.286217 2.590940 
1 1 1    3    5   18 o  354.032   1.7833  983.948   9.9077  998.274   14.801  972.317   13.336  356.496   2.6457  351.862   2.4152 4.634064 3.582281 
1 1 1    3    5   19 o  146.419   1.2976  168.284   2.9815  171.829   4.4629  165.426   4.0070  147.919   1.9226  145.147   1.7591 2.772049 2.605932 
1 1 1    3    5   20 o  143.714   1.4905  162.167   3.3615  161.172   4.7842  163.136   4.7241  143.223   2.1286  144.097   2.0891 -0.8734741 2.982443 
1 1 1    3    5   21 o   43.022   2.8146   14.629   1.8898   13.324   2.7002   15.883   2.6459   40.846   4.2757   44.707   3.8076 -3.860268 5.725297 
1 1 1    3    5   22 o  104.276   1.8158   85.456   2.9713   86.658   4.2979   84.356   4.1123  104.916   2.6104  103.523   2.5313 1.392517 3.636158 
1 1 1    3    5   23 o  137.938   1.8974  149.619   4.1072  147.324   4.9536  154.667   7.3470  136.805   2.3073  139.927   3.3458 -3.121674 4.064259 
1 1 1    3    5   24 o   48.878   2.2182   18.855   1.6970   19.742   2.4894   18.085   2.3195   49.864   3.1981   47.733   3.1134 2.131023 4.463339 
1 1 1    3    5   25 o   81.007   1.9535   51.690   2.4833   47.467   3.8381   54.730   3.2569   77.320   3.1699   83.216   2.4968 -5.895958 4.035115 
1 1 1    3    5   26 o   41.599   2.6363   13.757   1.7122   10.293   2.5161   16.744   2.3367   35.443   4.6345   45.758   3.2757 -10.31532 5.675291 
1 1 1    3    5   27 o   45.161   2.1762   16.164   1.5378   15.630   2.2032   16.672   2.1474   44.151   3.2017   45.660   3.0137 -1.508915 4.396945 
1 1 1    3    5   28 o   24.075   3.3306   4.7302   1.2247   4.6254   1.6951   4.8446   1.7713   23.368   4.7837   23.894   4.8888 -0.5265446 6.839901 
1 1 1    3    5   29 o   15.199   5.3724   1.7718   1.5989   1.8509   2.1542   1.6747   2.3859   16.293   6.1574   16.358   6.4015 -0.6471825E-01 8.882133 
1 1 1    3    5   30 o   51.759   2.3310   21.451   1.8885   22.644   2.4218   19.601   3.0165   52.877   2.9300   48.539   3.9955 4.338905 4.954668 
1 1 1    3    5   31 o   22.025   6.7487   4.7817   2.5527   3.5571   3.5710   6.0612   3.6503   19.742   7.7993   23.805   8.1346 -4.063889 11.26947 
1 1 1    3    5   32 o   17.705   6.5063   2.9845   2.3725   2.3548   3.3108   3.6492   3.4015   17.293   7.2483   19.161   7.5987 -1.868139 10.50133 
1 1 1    3    5   33 o   24.641   6.1993   6.1947   2.3948   5.9067   3.3543   6.4941   3.4202   22.335   7.7903   23.322   7.8754 -0.9873257 11.07746 
1 1 1    3    5   34 o   10.193   4.8657  -1.4983   2.1744  -2.7310   2.9380  -0.0053   3.2334   10.900   5.3121   13.326   6.2294 -2.425867 8.186839 
1 1 1    3    6    0 o   36.581   2.5038   10.648   1.4217   10.648   1.4217   10.648   1.4217   36.581   2.5038   36.581   2.5038 -0.000000 0.000000 
1 1 1    3    6    1 o  719.778   2.7875  4066.09   31.487  4048.94   44.332  4083.56   44.728  718.172   3.9335  721.235   3.9518 -3.062317 5.575787 
1 1 1    3    6    2 f  340.033   1.5651  907.302   8.3515  907.638   11.822  906.967   11.800  340.082   2.2151  339.957   2.2118 0.1255493 3.130273 
1 1 1    3    6    3 o   50.228   1.5973   19.818   1.2574   22.158   1.6917   16.928   1.8796   53.098   2.0339   46.370   2.5933 6.728165 3.295794 
1 1 1    3    6    4 o  227.254   1.2841  405.255   4.5797  396.819   6.3976  414.121   6.5587  224.870   1.8129  229.720   1.8193 -4.849716 2.568391 
1 1 1    3    6    5 o  158.902   1.1745  198.135   2.9288  196.311   4.1248  199.989   4.1593  158.164   1.6618  159.639   1.6603 -1.474686 2.349078 
1 1 1    3    6    6 o  326.032   1.5291  834.158   7.8233  821.726   10.939  847.176   11.193  323.574   2.1542  328.546   2.1710 -4.972015 3.058402 
1 1 1    3    6    7 o  216.776   1.3683  368.762   4.6549  368.667   6.1491  368.888   7.1239  216.740   1.8079  216.798   2.0939 -0.5830383E-01 2.766365 
1 1 1    3    6    8 o  259.357   1.7273  527.891   7.0303  525.804   9.9239  529.995   9.9610  258.822   2.4433  259.852   2.4427 -1.029633 3.454922 
1 1 1    3    6    9 o  359.083   1.9638  1011.93   11.066  1004.68   16.340  1018.07   15.041  357.752   2.9105  360.142   2.6613 -2.390076 3.943814 
1 1 1    3    6   10 o  126.808   1.4268  126.184   2.8394  124.590   4.0402  127.741   3.9912  125.999   2.0433  127.582   1.9935 -1.583717 2.854641 
1 1 1    3    6   11 o  295.326   1.6954  684.420   7.8574  684.975   11.165  683.876   11.060  295.431   2.4082  295.194   2.3875 0.2366028 3.391098 
1 1 1    3    6   12 o  261.184   1.6055  535.308   6.5807  532.561   9.3337  538.023   9.2797  260.502   2.2831  261.835   2.2584 -1.332764 3.211398 
1 1 1    3    6   13 o  201.681   1.2866  319.177   4.0722  322.025   5.8008  316.410   5.7179  202.573   1.8247  200.799   1.8146 1.773773 2.573369 
1 1 1    3    6   14 o   64.460   1.6244   32.627   1.6419   33.261   2.3528   32.025   2.2925   65.059   2.3081   63.837   2.2921 1.221893 3.252824 
1 1 1    3    6   15 o  137.693   1.2523  148.777   2.7060  152.264   3.8796  145.473   3.7760  139.292   1.7748  136.151   1.7673 3.141724 2.504676 
1 1 1    3    6   16 o   81.608   1.4934   52.265   1.9126   54.160   2.6573   50.228   2.7551   83.069   2.0384   79.965   2.1976 3.104195 2.997405 
1 1 1    3    6   17 o  113.111   1.4473  100.412   2.5691  102.396   4.4117   99.394   3.1601  114.198   2.4618  112.529   1.7895 1.668938 3.043440 
1 1 1    3    6   18 o  225.590   1.3275  399.441   4.6997  395.343   6.6590  403.509   6.6338  224.393   1.8910  226.701   1.8647 -2.307602 2.655713 
1 1 1    3    6   19 o   78.515   1.4201   48.396   1.7498   51.498   2.5707   45.718   2.3885   80.971   2.0231   76.267   1.9974 4.704224 2.842974 
1 1 1    3    6   20 o   36.943   2.1597   10.761   1.2466   13.705   1.8494   8.3098   1.6876   41.642   2.8472   32.310   3.3782 9.332150 4.418010 
1 1 1    3    6   21 o   65.509   1.4608   33.702   1.5017   35.246   2.1927   32.338   2.0609   66.929   2.0902   64.109   2.0511 2.820313 2.928465 
1 1 1    3    6   22 o  113.965   1.5367  102.037   2.7484  102.371   3.9306  101.717   3.8444  114.079   2.1956  113.720   2.1542 0.3594284 3.075894 
1 1 1    3    6   23 o   86.855   1.8931   59.328   2.5804   57.352   3.4556   61.819   3.8794   85.273   2.5853   88.497   2.7969 -3.223816 3.808720 
1 1 1    3    6   24 o   84.114   1.8744   55.677   2.4742   59.769   3.6604   52.235   3.3574   86.977   2.6849   81.315   2.6345 5.661972 3.761595 
1 1 1    3    6   25 o   35.537   3.0365   10.079   1.6772   8.4535   2.4010   11.628   2.3438   32.060   4.9298   37.970   3.9933 -5.909794 6.344253 
1 1 1    3    6   26 o   51.635   2.0805   21.080   1.6824   21.209   2.4321   20.961   2.3297   51.578   3.0179   51.304   2.9055 0.2740555 4.189206 
1 1 1    3    6   27 o   60.965   1.8263   29.356   1.7453   30.363   2.4922   28.388   2.4449   61.802   2.5753   59.743   2.6141 2.058899 3.669511 
1 1 1    3    6   28 o   38.305   2.4171   11.698   1.4456   12.294   2.0471   11.105   2.0417   38.986   3.3793   36.977   3.5625 2.008942 4.910254 
1 1 1    3    6   29 o   36.496   2.7082   10.707   1.5400   9.0043   2.0108   13.123   2.3950   32.997   3.9624   39.954   3.8681 -6.957180 5.537405 
1 1 1    3    6   30 o   13.994   5.7834   0.8942   2.0653  -0.4761   3.0081   2.1163   2.8408   14.262   6.4154   17.382   6.9274 -3.119515 9.441776 
1 1 1    3    6   31 o   13.815   5.2389   1.4337   1.5626   3.8074   2.2052  -0.9602   2.2145   19.875   6.3014   11.533   5.3088 8.341667 8.239632 
1 1 1    3    6   32 o   9.9435   4.4616  -0.2998   1.4448  -0.9737   2.0302   0.3919   2.0566   10.844   5.0240   12.663   5.5166 -1.818580 7.461449 
1 1 1    3    6   33 o   14.963   6.7289   0.7982   3.3069  -0.1022   4.8360   1.5890   4.5321   15.918   7.4970   16.876   7.7029 -0.9575825 10.74896 
1 1 1    3    6   34 o   11.057   5.2031  -0.8161   2.3209   1.3123   3.2789  -2.9533   3.2856   14.397   6.5639   11.288   5.5258 3.109114 8.580148 
1 1 1    3    7    0 o  288.760   2.5954  654.499   11.759  654.499   11.759  654.499   11.759  288.760   2.5954  288.760   2.5954 -0.000000 0.000000 
1 1 1    3    7    1 o  261.104   1.4201  534.979   5.8188  540.157   8.5612  530.533   7.9327  262.354   2.0794  260.009   1.9441 2.345032 2.846693 
1 1 1    3    7    2 o  153.410   1.3294  184.678   3.2005  187.451   4.4046  181.576   4.6584  154.553   1.8160  152.111   1.9515 2.442581 2.665775 
1 1 1    3    7    3 o  194.462   1.4305  296.744   4.3654  290.150   6.1038  303.649   6.2458  192.281   2.0228  196.703   2.0233 -4.421951 2.861066 
1 1 1    3    7    4 o  263.063   1.5929  543.057   6.5760  543.847   9.2988  542.267   9.3009  263.239   2.2510  262.856   2.2548 0.3827209 3.186036 
1 1 1    3    7    5 o  230.217   1.5158  415.914   5.4764  416.432   7.7494  415.398   7.7402  230.346   2.1438  230.060   2.1439 0.2862091 3.031838 
1 1 1    3    7    6 o  205.168   1.3641  330.326   4.3921  327.690   6.1648  333.044   6.2589  204.337   1.9225  206.000   1.9361 -1.662247 2.728436 
1 1 1    3    7    7 o  125.836   1.5728  124.265   3.1058  125.921   4.3608  122.559   4.4245  126.664   2.1939  124.960   2.2562 1.703438 3.146999 
1 1 1    3    7    8 o  230.620   1.4189  417.364   5.1353  420.765   7.2623  413.962   7.2626  231.546   1.9986  229.666   2.0151 1.879852 2.838121 
1 1 1    3    7    9 o  316.030   1.9211  783.797   9.5276  773.459   13.305  794.677   13.649  313.914   2.7009  318.189   2.7335 -4.275208 3.842769 
1 1 1    3    7   10 o  202.562   1.3794  321.977   4.3850  325.752   6.2142  318.233   6.1886  203.740   1.9436  201.374   1.9583 2.365463 2.759064 
1 1 1    3    7   11 o  130.118   1.3651  132.855   2.7874  134.957   3.9232  130.713   3.9610  131.140   1.9063  129.061   1.9557 2.079117 2.731100 
1 1 1    3    7   12 o   56.655   1.9874   25.220   1.7643   24.880   2.4515   25.586   2.5410   56.234   2.7867   57.025   2.8485 -0.7908211 3.984916 
1 1 1    3    7   13 o  295.565   1.5882  685.524   7.3667  681.686   10.353  689.459   10.484  294.722   2.2385  296.397   2.2540 -1.675018 3.176694 
1 1 1    3    7   14 o   62.092   1.8654   30.284   1.8156   28.332   2.5710   32.225   2.5642   60.017   2.7370   64.024   2.5573 -4.006725 3.745762 
1 1 1    3    7   15 o   63.494   1.9808   31.671   1.9713   32.058   2.9413   31.355   2.6561   63.835   2.9441   63.144   2.6866 0.6906319 3.985651 
1 1 1    3    7   16 o   48.544   2.3243   18.541   1.7655   20.033   2.5743   17.217   2.4259   50.400   3.2725   46.702   3.3319 3.698036 4.670208 
1 1 1    3    7   17 o  216.081   1.4428  366.464   4.8924  366.968   6.9902  365.981   6.8498  216.199   2.0603  215.910   2.0216 0.2886810 2.886470 
1 1 1    3    7   18 o  215.120   1.3414  363.248   4.5285  360.840   6.4223  365.630   6.3863  214.365   1.9091  215.785   1.8859 -1.420135 2.683537 
1 1 1    3    7   19 o  209.102   1.3254  343.243   4.3492  340.785   6.1853  345.648   6.1167  208.300   1.8922  209.784   1.8580 -1.484726 2.651877 
1 1 1    3    7   20 o   26.462   3.2820   5.5988   1.3337   6.3186   1.9514   4.9678   1.8271   27.912   4.6162   24.633   4.8989 3.279039 6.731176 
1 1 1    3    7   21 o   75.981   1.5074   45.345   1.7973   44.250   2.6114   46.330   2.4775   74.980   2.2218   76.741   2.0591 -1.760384 3.029220 
1 1 1    3    7   22 o   74.379   1.5851   43.470   1.8502   46.489   2.8507   41.272   2.4320   76.817   2.3675   72.401   2.1428 4.415680 3.193255 
1 1 1    3    7   23 o   51.064   1.8585   20.535   1.4868   20.172   2.1734   20.855   2.0384   50.499   2.7530   51.381   2.5359 -0.8819389 3.742938 
1 1 1    3    7   24 o   36.171   3.2299   10.442   1.8141   8.9784   2.5530   11.935   2.5782   33.091   5.0782   38.443   4.3500 -5.351540 6.686614 
1 1 1    3    7   25 o   19.105   5.2309   3.0515   1.6139   3.9529   2.2785   2.1438   2.2865   21.688   6.3137   17.551   6.3971 4.136894 8.988127 
1 1 1    3    7   26 o   22.894   5.2457   4.4393   1.8442   3.1094   2.5829   5.8223   2.6340   19.856   6.8408   25.953   6.4858 -6.097076 9.426649 
1 1 1    3    7   27 o   46.014   2.8749   16.923   2.0656   15.568   2.7881   18.573   3.0753   43.705   4.1134   47.755   4.1446 -4.050114 5.839349 
1 1 1    3    7   28 o   30.951   3.1936   7.7603   1.5289   7.7393   2.1989   7.7800   2.1273   30.344   4.7754   30.502   4.5862 -0.1571693 6.620966 
1 1 1    3    7   29 o   17.112   4.8362   2.5209   1.3560   1.5693   1.9185   3.4708   1.9167   15.208   5.7960   19.840   5.7951 -4.632905 8.196124 
1 1 1    3    7   30 o   36.695   2.4240   10.856   1.3881   10.186   1.9454   11.551   1.9811   34.987   3.5942   37.376   3.4153 -2.388988 4.958104 
1 1 1    3    7   31 o   12.015   5.2022   0.2698   1.8056   0.1249   2.5669   0.4116   2.5404   13.575   6.0283   13.881   6.0873 -0.3064470 8.567098 
1 1 1    3    7   32 o   10.102   4.7281  -1.2132   1.8722  -4.7649   2.9442   1.1980   2.4259   10.297   5.0784   14.504   6.1484 -4.206564 7.974479 
1 1 1    3    7   33 o   11.338   4.9964   0.1970   1.7307  -0.9777   2.2345   1.9583   2.7361   11.121   5.1919   15.546   6.5570 -4.425664 8.363603 
1 1 1    3    7   34 o   18.490   4.9595   3.5178   1.4686   5.7153   2.0824   1.3428   2.0716   22.759   5.8110   13.143   5.6299 9.615553 8.090961 
1 1 1    3    8    0 o  278.025   2.0205  606.672   8.8147  606.672   8.8147  606.672   8.8147  278.025   2.0205  278.025   2.0205 0.000000 0.000000 
1 1 1    3    8    1 o  455.967   1.9319  1631.61   13.824  1629.27   19.527  1633.97   19.573  455.600   2.7311  456.256   2.7336 -0.6555786 3.864132 
1 1 1    3    8    2 o  286.708   1.5521  645.071   6.9832  653.274   9.9435  637.088   9.8093  288.508   2.1962  284.912   2.1939 3.596588 3.104286 
1 1 1    3    8    3 o  185.567   1.3929  270.223   4.0562  269.015   5.5102  271.651   5.9927  185.144   1.8965  186.046   2.0526 -0.9017944 2.794602 
1 1 1    3    8    4 o  294.548   1.5817  680.846   7.3113  679.749   10.308  681.958   10.372  294.291   2.2319  294.768   2.2423 -0.4773254 3.163721 
1 1 1    3    8    5 o  152.975   1.3356  183.638   3.2064  186.510   4.5412  180.783   4.5279  154.159   1.8771  151.773   1.9011 2.385498 2.671641 
1 1 1    3    8    6 o  144.741   1.3411  164.401   3.0461  165.447   4.2901  163.337   4.3259  145.194   1.8828  144.264   1.9108 0.9295959 2.682575 
1 1 1    3    8    7 o  158.958   1.5300  198.287   3.8165  191.448   5.1308  206.759   5.7104  156.184   2.0933  162.307   2.2419 -6.122345 3.067299 
1 1 1    3    8    8 o  112.194   1.4790   98.777   2.6040  101.229   3.5904   96.056   3.7824  113.573   2.0145  110.631   2.1786 2.941856 2.967233 
1 1 1    3    8    9 o  234.706   1.7217  432.287   6.3415  437.985   9.1014  426.911   8.8409  236.233   2.4550  233.229   2.4155 3.004593 3.444098 
1 1 1    3    8   10 o  356.337   1.7696  996.424   9.8955  992.947   13.982  999.914   14.007  355.697   2.5048  356.942   2.5005 -1.245789 3.539332 
1 1 1    3    8   11 o  162.174   1.6589  206.384   4.2218  207.733   6.6175  205.459   5.4825  162.693   2.5919  161.805   2.1591 0.8877411 3.373396 
1 1 1    3    8   12 o  371.740   1.8190  1084.44   10.612  1091.71   15.120  1077.39   14.897  372.962   2.5833  370.508   2.5621 2.453949 3.638346 
1 1 1    3    8   13 o  318.514   1.6754  796.136   8.3743  793.139   11.859  799.117   11.827  317.894   2.3771  319.090   2.3619 -1.196320 3.351045 
1 1 1    3    8   14 o   60.096   2.0838   28.378   1.9622   28.368   2.8354   28.386   2.7182   60.039   3.0191   60.065   2.8922 -0.2665710E-01 4.180908 
1 1 1    3    8   15 o  321.451   1.6893  810.946   8.5219  814.877   12.141  807.129   11.964  322.197   2.4012  320.662   2.3776 1.534241 3.379144 
1 1 1    3    8   16 o  141.869   1.5440  157.964   3.4375  157.926   5.3869  157.991   4.4648  141.826   2.4203  141.869   2.0054 -0.4280090E-01 3.143198 
1 1 1    3    8   17 o  300.154   1.6401  707.223   7.7254  698.205   10.885  716.375   10.966  298.167   2.3264  302.023   2.3136 -3.856293 3.280993 
1 1 1    3    8   18 o  145.592   1.4403  166.404   3.2908  170.187   4.7488  162.910   4.5645  147.199   2.0558  144.020   2.0196 3.178772 2.881816 
1 1 1    3    8   19 o   71.598   1.8280   40.291   2.0522   39.429   2.9665   41.082   2.8422   70.760   2.6762   72.245   2.5107 -1.484825 3.669577 
1 1 1    3    8   20 o   30.666   3.7250   7.5257   1.7559   8.5229   2.5207   6.5857   2.4474   32.409   5.1265   28.301   5.7078 4.108900 7.672018 
1 1 1    3    8   21 o   50.979   2.2774   20.484   1.8174   23.501   2.7172   18.042   2.4446   54.500   3.1910   47.715   3.2848 6.785038 4.579516 
1 1 1    3    8   22 o   64.783   1.7304   33.013   1.7576   31.795   2.5462   34.121   2.4291   63.481   2.5611   65.793   2.3565 -2.311989 3.480291 
1 1 1    3    8   23 o   68.709   1.8029   37.158   1.9423   36.719   2.8333   37.548   2.6679   68.178   2.6532   68.975   2.4687 -0.7969894 3.624078 
1 1 1    3    8   24 o   31.223   2.7126   7.7616   1.3160   6.2876   1.8940   9.1373   1.8297   27.696   4.5130   33.746   3.5061 -6.050234 5.714856 
1 1 1    3    8   25 o   19.278   3.7633   3.0663   1.0976   1.9350   1.5389   4.2378   1.5660   15.803   5.2821   22.556   4.5807 -6.752691 6.991677 
1 1 1    3    8   26 f   24.506   4.4419   4.9959   1.6454   5.0854   2.3256   4.9061   2.3282   24.291   6.1079   23.851   6.1730 0.4393597 8.684022 
1 1 1    3    8   27 o   34.492   3.3060   9.6130   1.7676   7.6319   2.4424   11.792   2.5614   29.972   5.3908   37.843   4.3947 -7.870846 6.955155 
1 1 1    3    8   28 o   16.426   5.6901   2.1354   1.7880   0.1934   2.4858   4.2174   2.5738   14.249   6.1362   21.859   6.7905 -7.609973 9.152304 
1 1 1    3    8   29 o   28.778   3.7500   6.8745   1.6533   7.0173   2.2062   6.6916   2.4971   28.443   5.1313   27.316   5.9906 1.127069 7.887802 
1 1 1    3    8   30 o   15.910   5.2051   2.2101   1.4968   3.2303   2.0791   1.1126   2.1566   18.736   6.1350   14.408   5.9275 4.328371 8.530707 
1 1 1    3    8   31 o   21.822   4.2275   4.2106   1.3954   5.6522   1.9358   2.6512   2.0134   24.750   5.1518   16.957   6.0253 7.792629 7.927469 
1 1 1    3    8   32 o   17.627   6.0043   3.0484   1.9885   1.0103   2.8024   5.1152   2.8221   14.745   6.4314   21.623   7.1509 -6.878444 9.617550 
1 1 1    3    8   33 o   13.224   5.4569   1.2717   1.8350   2.2301   2.6164   0.3438   2.5743   15.588   6.4817   13.058   5.8988 2.530051 8.764064 
1 1 1    3    8   34 o   9.9909   4.6284  -0.4213   1.7227   1.7061   2.4441  -2.5219   2.4286   13.860   6.0262   9.7778   4.7791 4.081769 7.691204 
1 1 1    3    9    0 o  150.624   1.7844  178.108   4.2165  178.108   4.2165  178.108   4.2165  150.624   1.7844  150.624   1.7844 0.000000 0.000000 
1 1 1    3    9    1 o  150.587   1.2541  177.947   2.9637  180.825   4.2087  175.115   4.1741  151.793   1.7668  149.377   1.7806 2.416031 2.508426 
1 1 1    3    9    2 o  318.004   1.5481  793.601   7.7256  808.589   11.072  779.379   10.785  320.971   2.1981  315.121   2.1809 5.850128 3.096466 
1 1 1    3    9    3 o  269.759   1.4321  571.057   6.0626  569.007   8.5512  573.130   8.5966  269.258   2.0237  270.231   2.0271 -0.9735413 2.864395 
1 1 1    3    9    4 o  103.249   1.3445   83.655   2.1785   80.333   3.0575   87.081   3.1048  101.173   1.9258  105.336   1.8782 -4.163826 2.690027 
1 1 1    3    9    5 o  105.925   1.4030   88.048   2.3322   85.952   3.4138   89.882   3.1938  104.650   2.0787  107.018   1.9017 -2.367935 2.817346 
1 1 1    3    9    6 o  148.331   1.2985  172.654   3.0225  169.725   4.2496  175.654   4.2999  147.061   1.8414  149.608   1.8315 -2.546982 2.597091 
1 1 1    3    9    7 o  429.774   2.0034  1449.56   13.512  1455.26   20.730  1445.34   17.817  430.568   3.0680  429.120   2.6458 1.447845 4.051231 
1 1 1    3    9    8 o  172.950   1.3682  234.718   3.7135  231.932   5.0741  237.931   5.4492  171.915   1.8808  174.122   1.9942 -2.207520 2.741205 
1 1 1    3    9    9 o  134.101   1.4498  141.114   3.0509  136.450   4.0075  147.543   4.7054  131.862   1.9366  137.115   2.1868 -5.252777 2.921045 
1 1 1    3    9   10 o  267.549   1.5663  561.715   6.5762  551.219   9.1628  572.865   9.4438  265.027   2.2031  270.180   2.2273 -5.153320 3.132828 
1 1 1    3    9   11 o  142.985   1.4714  160.431   3.3017  158.762   4.6106  162.188   4.7305  142.234   2.0656  143.760   2.0968 -1.526016 2.943338 
1 1 1    3    9   12 o  153.478   1.4816  184.844   3.5686  180.452   4.9874  189.452   5.1082  151.636   2.0959  155.372   2.0950 -3.735382 2.963413 
1 1 1    3    9   13 o  210.834   1.4820  348.823   4.9033  349.680   6.9010  347.949   6.9681  211.082   2.0833  210.558   2.1088 0.5235443 2.964324 
1 1 1    3    9   14 o  146.880   1.4843  169.300   3.4213  170.156   4.8081  168.423   4.8694  147.241   2.0808  146.489   2.1182 0.7523956 2.969281 
1 1 1    3    9   15 f   90.763   1.6036   64.654   2.2841   61.486   3.2229   67.851   3.2375   88.471   2.3233   92.971   2.2190 -4.499992 3.212779 
1 1 1    3    9   16 o   62.274   1.9773   30.476   1.9299   31.468   2.7624   29.530   2.6973   63.233   2.7906   61.251   2.8137 1.982861 3.962882 
1 1 1    3    9   17 o  233.327   1.4234  427.358   5.2121  426.957   7.3767  427.757   7.3653  233.169   2.0160  233.388   2.0110 -0.2187195 2.847499 
1 1 1    3    9   18 o   33.601   3.1791   8.9619   1.6564   8.9176   2.3529   9.0054   2.3324   33.303   4.6268   33.482   4.5571 -0.1783142 6.494182 
1 1 1    3    9   19 o  197.510   1.3827  306.294   4.2857  308.596   6.1349  304.101   5.9896  198.184   1.9726  196.740   1.9400 1.444397 2.766690 
1 1 1    3    9   20 o   44.724   2.5983   15.793   1.8158   15.692   2.5755   15.893   2.5603   44.433   3.7280   44.726   3.6802 -0.2936058 5.238507 
1 1 1    3    9   21 o   52.678   2.2916   21.876   1.8899   23.008   2.6946   20.780   2.6513   53.909   3.1995   51.206   3.3173 2.703876 4.608795 
1 1 1    3    9   22 o   89.167   1.7599   62.512   2.4626   63.608   3.7270   61.663   3.2808   89.793   2.6478   88.456   2.3655 1.336319 3.550576 
1 1 1    3    9   23 f   52.354   3.5783   21.834   2.9222   20.717   4.4642   22.672   3.8653   50.395   5.7475   53.073   4.6891 -2.678028 7.417653 
1 1 1    3    9   24 o   18.382   5.2539   2.8005   1.5913   4.4588   2.2803   1.2262   2.2218   22.967   6.1883   15.632   6.1593 7.335399 8.731100 
1 1 1    3    9   25 o   30.818   3.2485   7.6413   1.5475   8.7528   2.1544   6.4566   2.2242   32.723   4.2991   27.730   5.3042 4.992958 6.827709 
1 1 1    3    9   26 o   16.021   4.9395   2.1083   1.3649   3.9791   2.1321   0.8095   1.7766   21.523   6.0579   13.558   5.4528 7.965188 8.150495 
1 1 1    3    9   27 o   84.000   1.5103   55.625   1.9909   57.426   2.8302   53.861   2.8012   85.157   2.1179   82.425   2.1674 2.731415 3.030370 
1 1 1    3    9   28 o   21.900   5.3157   4.1818   1.8082   4.6730   2.5026   3.6452   2.6156   22.808   6.6102   20.523   6.8868 2.285755 9.545810 
1 1 1    3    9   29 o   24.072   5.2539   5.1325   1.9289   3.8483   2.5137   6.9717   3.0081   20.533   6.7469   27.104   7.0177 -6.571081 9.734905 
1 1 1    3    9   30 o   21.786   5.7716   4.4613   2.0044   5.0198   2.8323   3.9009   2.8372   22.331   7.1483   20.068   7.1502 2.262896 10.11059 
1 1 1    3    9   31 o   13.307   5.3154   1.1954   1.6762   1.4068   2.1572   0.8734   2.6627   14.513   5.9450   14.523   6.3025 -0.9738922E-02 8.663921 
1 1 1    3    9   32 o   11.070   4.5966   0.5820   1.3132  -1.3082   1.8255   2.6093   1.8906   9.7930   4.6103   16.485   5.8405 -6.691590 7.440847 
1 1 1    3    9   33 o   10.413   4.8766  -0.8560   1.9964   1.3973   2.8326  -3.0802   2.8143   14.339   6.3521   10.492   5.1315 3.847637 8.165927 
1 1 1    3   10    0 o   61.829   2.9600   30.209   2.8570   30.209   2.8570   30.209   2.8570   61.829   2.9600   61.829   2.9600 -0.000000 0.000000 
1 1 1    3   10    1 o  119.469   1.3876  112.005   2.6016  116.804   3.8608  108.014   3.5210  121.994   2.0166  117.315   1.9125 4.678719 2.779313 
1 1 1    3   10    2 o  204.300   1.3389  327.536   4.2926  328.821   6.0808  326.260   6.0605  204.690   1.8930  203.892   1.8941 0.7986908 2.677916 
1 1 1    3   10    3 o  286.003   1.4941  641.906   6.7057  641.832   9.4850  641.981   9.4815  285.969   2.1136  286.003   2.1125 -0.3332520E-01 2.988288 
1 1 1    3   10    4 o  133.504   1.3417  139.864   2.8109  137.382   3.9461  142.421   4.0050  132.308   1.9005  134.713   1.8945 -2.404541 2.683481 
1 1 1    3   10    5 o  237.307   1.4029  441.916   5.2246  446.760   7.4318  437.183   7.3463  238.593   1.9849  236.022   1.9834 2.571274 2.805982 
1 1 1    3   10    6 o  260.652   1.4532  533.137   5.9442  525.500   8.3333  541.048   8.4813  258.767   2.0521  262.567   2.0583 -3.800140 2.906519 
1 1 1    3   10    7 o  331.400   1.6189  861.834   8.4191  857.489   11.879  866.219   11.934  330.547   2.2900  332.226   2.2890 -1.678436 3.237865 
1 1 1    3   10    8 o  270.843   1.4846  575.630   6.3100  576.561   8.9366  574.704   8.9107  271.052   2.1009  270.615   2.0982 0.4367371 2.969264 
1 1 1    3   10    9 o  128.850   1.5223  130.280   3.0781  132.627   4.0929  127.224   4.6701  130.002   2.0062  127.323   2.3373 2.678490 3.080228 
1 1 1    3   10   10 o  278.608   1.6746  609.124   7.3215  605.416   10.805  612.272   9.9551  277.743   2.4791  279.316   2.2711 -1.573090 3.362123 
1 1 1    3   10   11 o  119.200   1.4652  111.498   2.7408  116.588   3.9183  106.623   3.8350  121.886   2.0485  116.560   2.0966 5.325714 2.931244 
1 1 1    3   10   12 o  145.499   1.5015  166.128   3.4285  165.421   4.8140  166.856   4.8840  145.181   2.1129  145.809   2.1344 -0.6278381 3.003393 
1 1 1    3   10   13 o  222.976   1.5222  390.164   5.3264  389.903   7.5129  390.427   7.5527  222.887   2.1479  223.037   2.1578 -0.1495209 3.044636 
1 1 1    3   10   14 o  182.250   1.5019  260.669   4.2956  261.206   6.0512  260.123   6.0988  182.423   2.1138  182.043   2.1348 0.3794556 3.004247 
1 1 1    3   10   15 o   43.542   2.9490   14.959   2.0032   15.789   2.8001   14.089   2.8669   44.635   4.0414   42.099   4.4046 2.535660 5.977700 
1 1 1    3   10   16 o  140.616   1.5375  155.213   3.3927  154.779   4.7709  155.657   4.8256  140.391   2.1655  140.788   2.1841 -0.3965912 3.075675 
1 1 1    3   10   17 o   20.329   5.6378   3.3648   1.8613   2.9744   2.5363   3.8206   2.7401   20.061   6.7817   22.122   7.0255 -2.061525 9.764717 
1 1 1    3   10   18 o  140.871   1.5401  155.824   3.4047  155.130   4.7737  156.544   4.8573  140.506   2.1650  141.143   2.1930 -0.6361084 3.081583 
1 1 1    3   10   19 o   98.139   1.7783   75.665   2.7388   77.203   3.7319   73.869   4.0318   99.082   2.4001   96.858   2.6550 2.223450 3.579046 
1 1 1    3   10   20 o   22.491   4.8731   4.1668   1.6702   2.2435   2.3590   6.0999   2.3650   18.133   6.5130   27.172   5.7270 -9.038805 8.672861 
1 1 1    3   10   21 o   39.678   2.8915   12.479   1.7881   12.918   2.5680   12.065   2.4912   40.168   4.1328   38.801   4.1560 1.367500 5.861092 
1 1 1    3   10   22 o   30.316   4.1153   7.4272   1.9073   5.9301   2.7882   8.7439   2.6148   26.560   6.6932   32.666   5.2809 -6.106232 8.525670 
1 1 1    3   10   23 o   69.996   2.0371   38.627   2.2353   35.973   3.1730   41.241   3.1496   67.356   3.0094   72.182   2.7857 -4.825386 4.100803 
1 1 1    3   10   24 o   53.649   2.1755   22.751   1.8278   23.393   2.5693   22.094   2.6008   54.216   3.0319   52.652   3.1622 1.564758 4.380840 
1 1 1    3   10   25 o   21.368   4.5851   3.8290   1.4914   2.3973   2.0983   5.2910   2.1204   17.698   6.1621   24.935   5.5604 -7.236753 8.300007 
1 1 1    3   10   26 o   17.111   5.6391   2.3662   1.7555   2.5769   2.7856   2.2274   2.2609   18.905   7.0314   17.457   6.3616 1.448271 9.482054 
1 1 1    3   10   27 f   42.572   2.5203   14.469   1.6763   15.005   2.4491   13.997   2.2992   42.952   3.6684   41.516   3.5635 1.436066 5.114301 
1 1 1    3   10   28 o   13.971   4.7911   1.5350   1.2665   2.3582   1.7744   0.6801   1.8083   16.862   5.6724   13.178   5.4253 3.683951 7.849233 
1 1 1    3   10   29 f   19.223   5.4830   3.3432   1.7349   3.8485   2.4318   2.8193   2.4759   20.325   6.6337   18.155   6.6506 2.169910 9.393436 
1 1 1    3   10   30 o   16.773   5.5230   2.5699   1.6841   2.2800   2.3368   2.8831   2.4291   16.533   6.3725   17.771   6.5741 -1.238285 9.155744 
1 1 1    3   10   31 o   12.896   5.1608   1.1109   1.5831   2.0608   2.2079   0.1059   2.2711   15.669   6.1504   12.700   5.6534 2.969089 8.353890 
1 1 1    3   10   32 o   12.968   5.3403   1.0904   1.7526  -1.9421   2.4290   4.3835   2.5312   10.763   5.1390   19.980   6.7748 -9.217281 8.503332 
1 1 1    3   10   33 o   8.6407   4.0222  -0.6610   1.3254  -1.4401   1.8408   0.1776   1.9098   9.3248   4.4582   11.294   5.0932 -1.969048 6.768785 
1 1 1    3   11    0 f  298.253   2.1726  698.178   10.167  698.178   10.167  698.178   10.167  298.253   2.1726  298.253   2.1726 0.000000 0.000000 
1 1 1    3   11    1 o   91.045   1.5385   65.048   2.1981   62.030   3.0989   68.104   3.1183   88.902   2.2212   93.153   2.1331 -4.251465 3.079603 
1 1 1    3   11    2 o  168.802   1.3550  223.599   3.5893  226.329   5.1008  220.922   5.0516  169.822   1.9140  167.781   1.9186 2.040787 2.710040 
1 1 1    3   11    3 o  243.211   1.6683  464.192   6.3674  457.424   8.9450  471.145   9.0659  241.416   2.3610  245.010   2.3579 -3.594116 3.336778 
1 1 1    3   11    4 f  108.713   1.5888   92.743   2.7105   96.816   3.8338   88.673   3.8326  111.068   2.1995  106.294   2.2976 4.774124 3.180736 
1 1 1    3   11    5 o  265.542   1.5867  553.332   6.6122  550.023   9.2859  556.735   9.4177  264.734   2.2352  266.344   2.2532 -1.609833 3.173749 
1 1 1    3   11    6 o  153.531   1.5130  184.970   3.6454  184.034   5.1215  185.932   5.1900  153.135   2.1311  153.923   2.1486 -0.7876892 3.026270 
1 1 1    3   11    7 o  289.988   1.7842  659.906   8.1196  648.944   11.390  671.232   11.578  287.554   2.5241  292.451   2.5227 -4.896240 3.568623 
1 1 1    3   11    8 o  226.032   1.6641  400.918   5.9027  397.906   8.3315  403.954   8.3640  225.171   2.3578  226.876   2.3492 -1.704849 3.328338 
1 1 1    3   11    9 o  181.715   1.5854  259.118   4.5209  263.568   6.2086  254.095   6.5962  183.262   2.1588  179.936   2.3360 3.325958 3.180750 
1 1 1    3   11   10 o  151.153   1.6009  179.289   3.7975  179.090   5.1863  179.520   5.5756  151.062   2.1878  151.241   2.3492 -0.1790009 3.210120 
1 1 1    3   11   11 f  128.537   1.5788  129.655   3.1847  128.774   4.5525  130.499   4.4568  128.092   2.2647  128.948   2.2025 -0.8562317 3.159095 
1 1 1    3   11   12 o  120.895   1.6133  114.697   3.0608  115.377   4.3879  114.053   4.2716  121.244   2.3062  120.547   2.2580 0.6968536 3.227552 
1 1 1    3   11   13 o  272.679   1.6325  583.531   6.9856  586.123   9.9775  581.038   9.7835  273.257   2.3267  272.070   2.2914 1.186401 3.265616 
1 1 1    3   11   14 o   61.623   2.3116   29.855   2.2315   28.026   3.1668   31.659   3.1450   59.632   3.3981   63.408   3.1706 -3.775738 4.647572 
1 1 1    3   11   15 o  173.157   1.4469  235.341   3.9319  229.991   5.5450  240.750   5.5761  171.149   2.0645  175.108   2.0292 -3.959366 2.894781 
1 1 1    3   11   16 o  144.616   1.4732  164.181   3.3434  166.694   4.7688  161.752   4.6887  145.683   2.0859  143.507   2.0820 2.175461 2.947133 
1 1 1    3   11   17 o  121.172   1.5318  115.284   2.9128  114.971   4.1398  115.591   4.0992  120.966   2.1807  121.294   2.1535 -0.3275299 3.064861 
1 1 1    3   11   18 o   41.819   2.9700   13.834   1.9364   17.255   2.7375   10.407   2.7396   46.626   3.7735   35.927   4.9939 10.69983 6.259280 
1 1 1    3   11   19 o   66.216   2.1205   34.507   2.2006   34.569   3.0375   34.440   3.1925   66.184   2.9318   66.040   3.0890 0.1449280 4.258845 
1 1 1    3   11   20 o   14.218   5.5389   1.0078   1.7796   2.7508   2.5032  -0.7737   2.5306   19.410   6.7321   13.575   6.0092 5.834797 9.023968 
1 1 1    3   11   21 o   9.5217   4.4871  -1.8974   1.7371  -1.8540   2.4599  -1.9405   2.4533   12.100   5.5788   11.990   5.5434 0.1101179 7.864621 
1 1 1    3   11   22 o   48.250   3.3116   18.516   2.4922   21.322   3.4262   15.364   3.6319   51.573   4.2717   43.406   5.4518 8.166840 6.925956 
1 1 1    3   11   23 o   29.771   4.6433   7.2711   2.0986   7.4382   2.8624   7.0769   3.0859   29.640   6.3452   28.761   6.9212 0.8792973 9.389628 
1 1 1    3   11   24 o   48.862   2.3870   18.923   1.8248   17.381   2.5356   20.580   2.6282   46.553   3.4963   50.729   3.3196 -4.176586 4.821182 
1 1 1    3   11   25 o   61.339   2.0472   29.762   1.9679   28.997   2.6946   30.637   2.8808   60.316   2.8549   61.961   2.9713 -1.645782 4.120603 
1 1 1    3   11   26 o   33.070   3.3295   8.8543   1.7044   7.9184   2.3955   9.8139   2.4256   30.600   5.1726   34.372   4.6133 -3.771938 6.930965 
1 1 1    3   11   27 o   29.542   3.5474   7.1486   1.6117   6.8316   2.3093   7.4497   2.2505   28.121   5.4295   29.577   5.0285 -1.455603 7.400345 
1 1 1    3   11   28 o   15.700   5.5160   1.9755   1.6836  -0.2226   2.4543   3.9293   2.3139   13.409   5.9278   20.839   6.4327 -7.429914 8.747438 
1 1 1    3   11   29 o   22.600   4.3467   4.4527   1.4856   4.7447   2.1893   4.2034   2.0226   22.419   6.0734   21.201   5.8759 1.218172 8.450560 
1 1 1    3   11   30 o   10.072   4.3222   0.1716   1.2252   1.4465   1.8163  -0.8930   1.6597   14.113   5.5664   9.8725   4.5627 4.240750 7.197479 
1 1 1    3   11   31 o   10.773   4.8990  -0.4649   1.8117   0.6467   2.5292  -1.6364   2.5964   13.824   6.0678   11.546   5.4546 2.278270 8.159074 
1 1 1    3   11   32 o   12.531   5.2460   0.9656   1.7312   0.1232   2.4186   1.8507   2.4791   12.582   5.6974   14.965   6.2724 -2.383326 8.473724 
1 1 1    3   11   33 o   8.5573   4.1514  -1.8911   1.7401  -4.8629   2.4093   1.3495   2.5159   8.4484   4.2344   13.451   5.9709 -5.002158 7.320004 
1 1 1    3   12    0 o  192.883   2.8223  292.153   8.5388  292.153   8.5388  292.153   8.5388  192.883   2.8223  192.883   2.8223 0.000000 0.000000 
1 1 1    3   12    1 o  135.473   1.6831  144.023   3.5783  141.326   5.0307  146.784   5.0909  134.191   2.3889  136.758   2.3721 -2.566803 3.366539 
1 1 1    3   12    2 o  279.612   1.7694  613.534   7.7639  616.783   11.023  610.337   10.937  280.334   2.5057  278.866   2.4991 1.468475 3.538948 
1 1 1    3   12    3 o   55.102   2.7036   23.888   2.3307   23.500   3.2830   24.282   3.3094   54.576   3.8581   55.483   3.8243 -0.9071655 5.432308 
1 1 1    3   12    4 o   53.083   2.7865   22.177   2.3131   24.445   3.2620   19.882   3.2804   55.676   3.7554   50.147   4.2073 5.529045 5.639539 
1 1 1    3   12    5 o  108.461   1.7818   92.315   3.0328   92.504   4.4370   92.150   4.1550  108.566   2.6043  108.359   2.4434 0.2065659 3.571069 
1 1 1    3   12    6 o  102.355   1.7730   82.212   2.8479   80.302   3.9442   84.293   4.1165  101.154   2.4847  103.636   2.5311 -2.482285 3.546834 
1 1 1    3   12    7 o  248.681   1.6725  485.292   6.5270  493.165   9.6815  478.732   8.8373  250.676   2.4611  246.984   2.2800 3.691910 3.354920 
1 1 1    3   12    8 o  146.190   1.6010  167.708   3.6730  176.824   5.2386  158.893   5.1512  150.104   2.2239  142.289   2.3069 7.815277 3.204312 
1 1 1    3   12    9 o  225.712   1.5851  399.793   5.6145  395.655   7.8492  404.127   8.0343  224.530   2.2276  226.920   2.2562 -2.390488 3.170584 
1 1 1    3   12   10 o  111.961   1.7300   98.372   3.0397   93.644   4.2703  103.228   4.3278  109.228   2.4912  114.683   2.4047 -5.454964 3.462499 
1 1 1    3   12   11 o  191.890   1.5543  288.961   4.6805  289.435   6.5894  288.479   6.6495  192.035   2.1866  191.717   2.2102 0.3179779 3.108986 
1 1 1    3   12   12 o  152.807   1.6023  183.249   3.8424  181.083   5.3678  185.526   5.5027  151.887   2.2520  153.738   2.2808 -1.850998 3.205238 
1 1 1    3   12   13 o  187.963   1.5253  277.282   4.4991  277.376   6.1528  277.174   6.5956  187.976   2.0857  187.902   2.2367 0.7461548E-01 3.058325 
1 1 1    3   12   14 o   98.456   1.7148   76.093   2.6495   78.569   3.7195   73.543   3.7751  100.025   2.3695   96.738   2.4888 3.287659 3.436373 
1 1 1    3   12   15 o  144.655   1.5128  164.270   3.4342  164.051   4.8692  164.486   4.8443  144.523   2.1469  144.716   2.1331 -0.1923065 3.026444 
1 1 1    3   12   16 o   93.716   1.7565   68.971   2.5833   70.215   3.6814   67.764   3.6258   94.485   2.4850   92.820   2.4914 1.665344 3.518840 
1 1 1    3   12   17 o   13.689   5.6001   0.5272   1.9110   0.1848   2.6868   0.8778   2.7185   15.368   6.4905   16.491   6.7045 -1.123423 9.331461 
1 1 1    3   12   18 o   34.066   3.9811   9.2880   2.0882   7.6138   2.9940   10.874   2.9140   30.329   6.4867   36.668   5.2106 -6.339073 8.320338 
1 1 1    3   12   19 o   50.316   2.8043   20.006   2.2055   14.030   3.1235   25.947   3.1146   41.765   4.8562   57.224   3.4848 -15.45964 5.977149 
1 1 1    3   12   20 o   34.089   3.9861   9.3279   2.0922   10.115   3.0196   8.6009   2.9016   35.144   5.6678   32.281   5.9466 2.862778 8.215020 
1 1 1    3   12   21 o   50.508   2.9053   20.207   2.2931   19.618   3.1464   20.875   3.3489   49.535   4.0838   51.077   4.2155 -1.541229 5.869215 
1 1 1    3   12   22 o   33.436   4.0117   9.0283   2.0630   12.177   2.8841   5.7297   2.9521   38.676   4.8587   25.969   7.0599 12.70733 8.570251 
1 1 1    3   12   23 o   32.556   4.0063   8.5996   2.0037   8.5487   3.0038   8.6404   2.6895   31.767   6.2482   32.182   5.5244 -0.4147205 8.340183 
1 1 1    3   12   24 o   20.407   5.4483   3.5345   1.7775   3.3675   2.5083   3.7029   2.5193   20.319   6.7424   21.069   6.7416 -0.7495880 9.534617 
1 1 1    3   12   25 o   31.345   4.1265   8.0725   1.9806   7.2740   2.7317   8.9574   2.8758   28.966   6.1970   32.360   5.8793 -3.394379 8.542182 
1 1 1    3   12   26 o   46.409   2.8412   17.260   2.0594   19.824   2.8703   14.540   2.9564   49.388   3.7310   41.885   4.5719 7.503471 5.901095 
1 1 1    3   12   27 o   16.935   5.4908   2.4127   1.6675   2.7433   2.3528   2.0790   2.3638   18.346   6.5139   17.010   6.4450 1.336056 9.163503 
1 1 1    3   12   28 o   21.519   4.9246   4.0925   1.6270   5.2120   2.3230   3.0146   2.2794   23.711   6.1809   18.511   6.4240 5.200268 8.914661 
1 1 1    3   12   29 o   20.262   4.8785   3.7235   1.5326   4.2110   2.2083   3.2706   2.1286   20.848   6.2541   18.610   6.2122 2.237482 8.815021 
1 1 1    3   12   30 o   13.092   5.1990   1.1818   1.5945  -1.3344   2.2981   3.5174   2.2141   11.174   5.2325   18.772   6.3364 -7.598330 8.217591 
1 1 1    3   12   31 o   7.1321   3.4609  -1.7625   1.2115  -1.1161   1.7599  -2.3447   1.6702   9.7791   4.5793   8.3020   4.0367 1.477091 6.104455 
1 1 1    3   12   32 o   11.318   5.1672  -0.1130   2.0407   0.3763   2.8735  -0.6110   2.8987   13.234   6.0753   12.373   5.8201 0.8608704 8.413311 
1 1 1    3   13    0 o   10.016   6.6343  -0.7162   2.7381  -0.7162   2.7381  -0.7162   2.7381   10.016   6.6343   10.016   6.6343 0.000000 0.000000 
1 1 1    3   13    1 o  159.890   1.4839  200.610   3.7234  195.557   5.2466  205.737   5.2851  157.858   2.1179  161.915   2.0800 -4.056885 2.968459 
1 1 1    3   13    2 o  419.779   1.9038  1382.84   12.542  1381.63   17.728  1384.04   17.745  419.571   2.6924  419.937   2.6927 -0.3662109 3.807861 
1 1 1    3   13    3 o   55.941   2.5837   24.613   2.2621   25.348   3.2012   23.879   3.1970   56.710   3.6159   55.028   3.7241 1.682545 5.190711 
1 1 1    3   13    4 o  184.850   1.7570  268.139   5.0969  271.770   7.5539  265.104   6.9059  186.086   2.5867  183.793   2.3943 2.293274 3.524777 
1 1 1    3   13    5 o  174.957   1.5574  240.200   4.2760  243.667   6.3212  237.276   5.8060  176.206   2.2860  173.882   2.1277 2.323990 3.122967 
1 1 1    3   13    6 o  302.568   1.6325  718.396   7.7516  730.139   11.067  707.086   10.861  305.016   2.3120  300.162   2.3057 4.853546 3.265226 
1 1 1    3   13    7 o  226.142   1.7586  401.321   6.2409  410.661   9.5922  394.466   8.2182  228.740   2.6722  224.191   2.3359 4.548416 3.549228 
1 1 1    3   13    8 o  284.703   1.6000  636.081   7.1485  641.678   10.165  630.606   10.054  285.935   2.2654  283.458   2.2603 2.477539 3.200159 
1 1 1    3   13    9 o  230.214   1.6972  415.913   6.1316  412.508   8.4052  419.787   8.9647  229.254   2.3363  231.264   2.4701 -2.010071 3.399955 
1 1 1    3   13   10 o  134.232   1.8447  141.408   3.8859  144.510   5.6932  138.701   5.3171  135.682   2.6738  132.929   2.5489 2.752716 3.694017 
1 1 1    3   13   11 o   57.240   3.0060   25.796   2.6907   24.989   3.9583   26.490   3.6687   56.210   4.5255   57.926   4.0615 -1.716419 6.080821 
1 1 1    3   13   12 o  141.254   1.8132  156.612   4.0194  156.738   5.9081  156.503   5.4841  141.284   2.6647  141.185   2.4752 0.9899902E-01 3.636922 
1 1 1    3   13   13 o   76.381   2.4179   45.861   2.8945   50.600   4.2514   41.766   3.9519   80.167   3.3869   72.813   3.4685 7.353882 4.847867 
1 1 1    3   13   14 o  141.408   1.8045  157.007   4.0045  156.102   5.7541  157.857   5.5764  140.949   2.6014  141.747   2.5069 -0.7971649 3.612718 
1 1 1    3   13   15 o   71.167   2.2255   39.831   2.4825   38.707   3.4036   41.109   3.6286   70.078   3.1026   72.213   3.2100 -2.134644 4.464345 
1 1 1    3   13   16 o  104.993   1.8236   86.589   3.0047   85.242   4.1869   88.020   4.3146  104.119   2.5624  105.799   2.5987 -1.679832 3.649556 
1 1 1    3   13   17 o   23.572   5.7491   4.5909   2.1074   4.9638   2.9135   4.1818   3.0520   24.636   7.1300   23.092   7.4232 1.543249 10.29280 
1 1 1    3   13   18 o   44.074   3.3040   15.407   2.2686   19.526   3.1721   11.094   3.2457   49.515   4.1196   36.879   5.7994 12.63555 7.113683 
1 1 1    3   13   19 o   85.303   2.1996   57.294   2.9420   55.161   4.0004   59.807   4.3419   83.564   3.0557   86.991   3.1859 -3.426834 4.414433 
1 1 1    3   13   20 o   13.313   5.7470  -0.1737   2.1904  -2.4812   2.9785   2.5445   3.2327   13.057   6.0614   20.113   7.5555 -7.056747 9.686423 
1 1 1    3   13   21 o   65.897   3.2791   34.476   3.3803   34.906   4.5027   33.921   5.1171   66.011   4.3712   64.841   5.0691 1.169800 6.693519 
1 1 1    3   13   22 o   39.530   3.7371   12.557   2.2908   14.222   3.1578   10.708   3.3282   41.753   4.9133   35.750   6.1544 6.002789 7.875100 
1 1 1    3   13   23 o   39.437   3.8436   12.566   2.3486   11.193   3.3773   13.852   3.2683   36.400   6.1299   40.956   5.2022 -4.555927 8.039823 
1 1 1    3   13   24 f   35.176   3.6981   10.036   2.0109   10.914   2.8154   9.1222   2.8733   36.195   5.0976   32.760   5.8012 3.435287 7.722664 
1 1 1    3   13   25 o   34.720   3.8049   9.8421   2.0392   7.3534   2.8405   12.489   2.9294   28.936   6.4230   38.683   4.9380 -9.747309 8.101796 
1 1 1    3   13   26 o   29.777   4.2814   7.3941   1.9432   5.8445   2.7348   8.9744   2.7617   25.449   6.7414   32.208   5.6710 -6.758614 8.809436 
1 1 1    3   13   27 o   12.368   5.2940   0.2201   1.8292  -2.0553   2.5708   2.5534   2.6033   11.757   5.5148   18.089   6.7834 -6.332409 8.742274 
1 1 1    3   13   28 o   13.247   5.5597   0.6902   1.9519   1.7737   2.7132  -0.4720   2.8100   16.418   6.6893   13.654   6.1660 2.763832 9.097578 
1 1 1    3   13   29 o   18.899   5.4706   3.3791   1.7150   2.9349   2.4428   3.8108   2.4082   17.737   6.5869   19.563   6.6083 -1.826860 9.330429 
1 1 1    3   13   30 o   21.022   5.0976   4.1823   1.6641   4.1987   2.3791   4.1665   2.3286   20.057   6.5623   20.030   6.4880 0.2700996E-01 9.228095 
1 1 1    3   13   31 o   15.043   5.2093   2.1482   1.4985   1.8330   2.1402   2.4513   2.0989   14.752   5.9664   15.910   6.0627 -1.158037 8.506145 
1 1 1    3   13   32 f   9.3318   4.2248  -0.1592   1.3292  -1.0177   1.8968   0.6692   1.8631   9.8185   4.6456   11.812   5.1956 -1.993965 6.969612 
1 1 1    3   14    0 o  199.525   2.4103  312.539   7.5444  312.539   7.5444  312.539   7.5444  199.525   2.4103  199.525   2.4103 0.000000 0.000000 
1 1 1    3   14    1 o  269.872   1.6242  571.521   6.8788  569.588   9.7142  573.465   9.7421  269.402   2.2977  270.318   2.2965 -0.9154663 3.248627 
1 1 1    3   14    2 o  133.882   2.1088  140.666   4.4307  141.116   5.9208  140.093   6.6795  134.088   2.8137  133.595   3.1860 0.4922791 4.250624 
1 1 1    3   14    3 o  159.333   1.9247  199.227   4.8125  198.308   6.5042  200.339   7.1538  158.956   2.6074  159.764   2.8533 -0.8077393 3.865246 
1 1 1    3   14    4 o  284.936   1.9719  637.145   8.8172  647.597   11.979  624.786   13.025  287.246   2.6574  282.133   2.9419 5.112885 3.964427 
1 1 1    3   14    5 o  346.381   2.0080  941.582   10.915  932.872   15.306  950.594   15.569  344.746   2.8292  348.004   2.8509 -3.258362 4.016427 
1 1 1    3   14    6 o  379.840   2.2009  1132.34   13.119  1150.48   17.953  1111.55   19.218  382.833   2.9882  376.287   3.2545 6.546631 4.418281 
1 1 1    3   14    7 o  214.364   1.9480  360.632   6.5531  367.052   9.2103  354.049   9.3257  216.244   2.7141  212.376   2.7981 3.867386 3.898179 
1 1 1    3   14    8 o  204.288   1.6443  327.511   5.2715  325.678   7.3743  329.426   7.5383  203.702   2.3069  204.869   2.3447 -1.167603 3.289264 
1 1 1    3   14    9 o   97.978   1.9958   75.344   3.0687   80.201   4.3022   70.314   4.3784  101.040   2.7157   94.591   2.9532 6.448738 4.012032 
1 1 1    3   14   10 o  177.744   1.5880  247.945   4.4294  249.303   6.4091  246.704   6.1285  178.210   2.2917  177.282   2.2028 0.9281921 3.178733 
1 1 1    3   14   11 o  141.385   1.6050  156.893   3.5611  160.124   5.0531  153.705   5.0195  142.814   2.2547  139.921   2.2860 2.893051 3.210772 
1 1 1    3   14   12 o  190.343   1.5258  284.380   4.5577  279.522   6.4293  289.288   6.4620  188.676   2.1714  191.945   2.1453 -3.269379 3.052399 
1 1 1    3   14   13 o   48.000   3.0788   18.189   2.3069   17.302   3.2462   19.093   3.2790   46.646   4.4900   49.048   4.3037 -2.401417 6.219462 
1 1 1    3   14   14 o   12.878   5.6352  -0.4873   2.1664  -3.6122   2.9333   3.2630   3.2134   12.073   5.7313   21.594   7.6177 -9.521184 9.532998 
1 1 1    3   14   15 o   65.714   2.3378   33.985   2.4070   32.937   3.3948   35.045   3.4132   64.587   3.3610   66.638   3.2740 -2.050819 4.691996 
1 1 1    3   14   16 o   36.162   3.8423   10.433   2.1471   5.0960   3.0147   15.928   3.0588   24.972   7.2603   44.674   4.4211 -19.70195 8.500481 
1 1 1    3   14   17 o   89.037   1.9380   62.314   2.7079   63.720   3.8191   60.893   3.8401   89.920   2.7096   87.890   2.7877 2.029907 3.887519 
1 1 1    3   14   18 o   59.659   2.7945   28.111   2.6091   34.962   3.7698   21.813   3.6146   66.408   3.6312   52.252   4.4504 14.15604 5.743836 
1 1 1    3   14   19 o   59.351   2.7959   27.844   2.5968   26.698   3.7271   28.925   3.6201   57.862   4.1319   60.301   3.8455 -2.439606 5.644482 
1 1 1    3   14   20 o   54.879   2.9326   23.863   2.5164   20.712   3.5194   27.158   3.5993   50.782   4.4616   58.333   3.9552 -7.550900 5.962331 
1 1 1    3   14   21 o   45.509   3.4103   16.535   2.4178   20.984   3.6372   13.012   3.2364   50.966   4.5969   39.826   5.3106 11.13979 7.023799 
1 1 1    3   14   22 o   41.480   3.2579   13.768   2.1037   10.538   2.9191   17.258   3.0343   35.625   5.3897   46.181   4.2340 -10.55568 6.853848 
1 1 1    3   14   23 o   20.953   5.9489   3.7433   2.0470   4.0659   3.0940   3.4921   2.7298   22.178   7.4904   20.740   7.0355 1.438011 10.27639 
1 1 1    3   14   24 o   26.523   5.0130   5.9468   2.0101   6.0491   2.8484   5.8452   2.8370   26.144   6.8585   25.698   6.8930 0.4460106 9.723839 
1 1 1    3   14   25 o   44.888   3.0073   16.200   2.1062   10.992   2.9721   21.453   2.9851   35.927   5.4417   51.367   3.7285 -15.43969 6.596484 
1 1 1    3   14   26 o   29.516   4.7068   7.3995   2.1070   8.4880   3.0228   6.3708   2.9386   30.706   6.4771   26.276   7.0008 4.430304 9.537475 
1 1 1    3   14   27 o   12.928   5.5546   0.3066   2.0280  -0.7667   2.8617   1.3894   2.8745   13.615   6.1779   16.305   6.7880 -2.690083 9.178404 
1 1 1    3   14   28 o   13.990   5.7073   1.1604   1.9781   1.1036   2.8075   1.2165   2.7876   15.353   6.5648   15.475   6.5768 -0.1220684 9.292481 
1 1 1    3   14   29 o   12.818   5.3096   0.9022   1.7462  -0.0393   2.4949   1.8064   2.4449   13.012   5.8488   15.505   6.3374 -2.492193 8.623913 
1 1 1    3   14   30 o   21.928   5.5351   4.7278   1.9046   5.5093   2.6725   3.9214   2.7151   22.396   6.9132   19.063   6.9674 3.333336 9.815165 
1 1 1    3   14   31 o   16.801   5.3768   2.9140   1.6025   0.0067   2.2910   5.6993   2.2424   12.016   5.4815   22.807   6.1329 -10.79136 8.225512 
1 1 1    3   14   32 o   10.090   4.5219   0.1433   1.4793  -1.6695   2.1263   1.8439   2.0595   9.6475   4.6582   13.665   5.7214 -4.017429 7.377904 
1 1 1    3   15    0 o  575.217   3.3977  2597.15   30.668  2597.15   30.668  2597.15   30.668  575.217   3.3977  575.217   3.3977 -0.000000 0.000000 
1 1 1    3   15    1 o  156.856   1.6678  193.078   4.1054  194.123   5.8227  192.046   5.7891  157.270   2.3593  156.426   2.3583 0.8434906 3.335804 
1 1 1    3   15    2 o  261.133   1.6736  535.128   6.8583  529.464   9.3962  541.585   10.033  259.733   2.3053  262.685   2.4339 -2.952576 3.352329 
1 1 1    3   15    3 f  168.166   1.7888  221.933   4.7208  220.728   6.9095  222.987   6.4650  167.694   2.6256  168.554   2.4441 -0.8597565 3.587102 
1 1 1    3   15    4 o  138.692   1.8206  150.958   3.9624  151.393   5.5371  150.501   5.6728  138.881   2.5406  138.470   2.6106 0.4110718 3.642762 
1 1 1    3   15    5 o  280.973   1.8883  619.563   8.3262  619.559   11.770  619.568   11.780  280.945   2.6696  280.947   2.6718 -0.2105713E-02 3.776976 
1 1 1    3   15    6 o  187.295   1.9146  275.307   5.6274  269.726   7.6197  282.004   8.3464  185.371   2.6193  189.538   2.8061 -4.166809 3.838617 
1 1 1    3   15    7 o  236.398   1.9363  438.596   7.1832  429.900   9.5986  449.666   10.829  234.020   2.6137  239.328   2.8834 -5.308395 3.891697 
1 1 1    3   15    8 o  156.207   2.0026  191.519   4.9091  185.558   7.2749  196.502   6.6519  153.728   3.0155  158.208   2.6792 -4.479935 4.033834 
1 1 1    3   15    9 f  335.074   2.0188  881.304   10.616  890.587   14.137  869.305   16.074  336.784   2.6749  332.699   3.0787 4.085144 4.078394 
1 1 1    3   15   10 o   14.179   6.0879  -0.1826   2.4329   1.7577   3.5383  -1.9226   3.3507   19.770   7.7779   14.802   6.7041 4.967296 10.26842 
1 1 1    3   15   11 o  204.778   1.6666  329.186   5.3557  328.683   7.6511  329.669   7.4995  204.572   2.3832  204.883   2.3325 -0.3107758 3.334723 
1 1 1    3   15   12 o  126.537   1.8095  125.728   3.5933  128.517   5.1725  123.126   4.9954  127.885   2.5774  125.177   2.5430 2.708672 3.620703 
1 1 1    3   15   13 o   61.689   2.7036   29.977   2.6110   28.782   3.7918   31.054   3.6006   60.300   4.0301   62.689   3.6761 -2.389145 5.454848 
1 1 1    3   15   14 o   31.725   4.9547   8.1456   2.3862   11.247   3.4482   5.2957   3.3054   37.165   6.1254   25.580   7.6464 11.58542 9.797378 
1 1 1    3   15   15 o   56.538   2.9230   25.231   2.5846   25.696   3.7288   24.801   3.5858   56.880   4.2072   55.889   4.1173 0.9904022 5.886643 
1 1 1    3   15   16 o   76.267   2.3722   45.804   2.8357   45.666   4.0777   45.933   3.9461   76.005   3.4276   76.246   3.3058 -0.2417068 4.762003 
1 1 1    3   15   17 o   63.937   2.5624   32.244   2.5658   27.387   3.6316   37.085   3.6256   58.693   3.9661   68.448   3.3858 -9.754715 5.214703 
1 1 1    3   15   18 o   45.936   3.2951   16.757   2.3595   16.036   3.3164   17.496   3.3578   44.627   4.8115   46.674   4.6458 -2.047508 6.688344 
1 1 1    3   15   19 o   70.224   2.3123   38.897   2.5448   37.555   3.5241   40.359   3.6785   68.820   3.2725   71.344   3.2944 -2.524017 4.643546 
1 1 1    3   15   20 o   27.797   5.2463   6.4150   2.2046   4.2346   3.0952   8.6604   3.1410   22.881   7.4850   32.050   6.4681 -9.169127 9.892524 
1 1 1    3   15   21 o   32.497   4.3662   8.6209   2.1704   11.404   3.0638   5.8171   3.0750   37.110   5.4208   25.983   7.2616 11.12753 9.061768 
1 1 1    3   15   22 o   18.418   6.0734   2.7312   2.0362   2.9105   2.8966   2.5561   2.8628   19.825   7.2041   19.128   7.1254 0.6970215 10.13265 
1 1 1    3   15   23 o   19.039   6.2277   2.9899   2.1427   4.8241   3.2132   1.5212   2.8753   23.592   7.6197   17.267   6.9396 6.325918 10.30615 
1 1 1    3   15   24 o   18.404   6.4068   2.7132   2.2681   0.7574   3.2727   4.5207   3.1462   16.823   7.1369   22.763   7.5511 -5.939964 10.39011 
1 1 1    3   15   25 o   48.739   3.2160   19.210   2.4460   16.099   3.4867   22.226   3.4323   43.565   5.2028   51.881   4.2531 -8.316025 6.719990 
1 1 1    3   15   26 o   15.570   5.9251   1.7236   2.0030  -1.6754   2.8244   5.1626   2.8410   12.752   5.9139   23.444   7.1070 -10.69199 9.245777 
1 1 1    3   15   27 o   12.541   5.4526   0.1928   2.0007   0.8581   2.7981  -0.5032   2.8617   15.184   6.5243   13.695   6.1996 1.489563 9.000072 
1 1 1    3   15   28 o   14.650   5.8202   1.5824   1.9990   0.9321   2.8142   2.2447   2.8399   14.905   6.4737   16.774   6.8401 -1.869547 9.417874 
1 1 1    3   15   29 o   7.4277   3.7246  -4.7255   1.8746  -5.6108   2.6513  -3.8404   2.6509   9.1213   4.5521   10.066   4.9353 -0.9449692 6.714113 
1 1 1    3   15   30 o   11.154   5.1111  -0.4491   2.0209   0.7729   2.8556  -1.6751   2.8603   14.122   6.3093   11.828   5.6278 2.293833 8.454544 
1 1 1    3   15   31 o   10.580   4.9050  -0.3998   1.9407   1.3532   2.7618  -2.1096   2.7276   13.796   6.1811   10.708   5.1956 3.087532 8.074640 
1 1 1    3   16    0 o   13.508   8.5778   0.4279   3.9575   0.4279   3.9575   0.4279   3.9575   13.508   8.5778   13.508   8.5778 -0.000000 0.000000 
1 1 1    3   16    1 o  272.144   1.6893  581.222   7.2147  583.729   10.230  578.741   10.176  272.710   2.3904  271.542   2.3881 1.167603 3.378903 
1 1 1    3   16    2 o  191.297   1.6698  287.184   5.0128  287.278   7.0792  287.090   7.0992  191.314   2.3579  191.251   2.3654 0.6278992E-01 3.339888 
1 1 1    3   16    3 o  189.789   1.6542  282.675   4.9269  280.916   6.9505  284.451   6.9851  189.183   2.3411  190.369   2.3381 -1.186844 3.308755 
1 1 1    3   16    4 o  163.310   1.7011  209.305   4.3597  212.138   6.1631  206.468   6.1681  164.397   2.3889  162.184   2.4234 2.212769 3.402930 
1 1 1    3   16    5 o  129.421   1.8427  131.458   3.7426  132.405   5.2869  130.507   5.2988  129.871   2.5941  128.936   2.6188 0.9344635 3.686092 
1 1 1    3   16    6 o  141.451   2.0620  157.048   4.5771  156.680   6.4624  157.419   6.4837  141.260   2.9152  141.593   2.9179 -0.3330231 4.124610 
1 1 1    3   16    7 o  186.394   1.6488  272.680   4.8230  277.273   6.8582  268.187   6.7839  187.933   2.3254  184.827   2.3389 3.105423 3.298145 
1 1 1    3   16    8 o   37.186   4.7102   11.051   2.6871   12.836   3.9824   9.5588   3.6408   39.824   6.6035   34.187   7.0214 5.636555 9.638778 
1 1 1    3   16    9 o  123.826   1.9510  120.377   3.7912  114.771   5.1015  127.292   5.6661  120.877   2.6893  127.293   2.8365 -6.415359 3.908699 
1 1 1    3   16   10 o   39.766   3.9494   12.567   2.4320   9.2487   3.4156   15.978   3.4637   33.604   6.7122   44.741   5.0196 -11.13734 8.381518 
1 1 1    3   16   11 o   55.928   2.8881   24.659   2.5262   23.132   3.5603   26.206   3.5850   54.015   4.2340   57.543   3.9948 -3.528175 5.821099 
1 1 1    3   16   12 o   52.438   3.0002   21.701   2.4586   19.844   3.4731   23.567   3.4808   49.949   4.4783   54.522   4.0982 -4.572754 6.070443 
1 1 1    3   16   13 o  103.567   2.0060   84.277   3.2604   84.057   4.5515   84.508   4.6726  103.327   2.8095  103.596   2.8770 -0.2685242 4.021250 
1 1 1    3   16   14 o   41.497   3.8754   13.709   2.4946   11.583   3.4436   16.055   3.6186   37.703   6.0227   44.691   5.2601 -6.988754 7.996344 
1 1 1    3   16   15 o   31.189   5.1490   7.9244   2.4323   3.8731   3.3843   12.253   3.4981   22.802   7.8314   38.772   5.9381 -15.96939 9.828085 
1 1 1    3   16   16 o  112.342   1.9764   99.245   3.4844   97.718   4.8574  100.863   5.0010  111.356   2.7796  113.128   2.8170 -1.771317 3.957475 
1 1 1    3   16   17 o   51.011   3.3408   20.651   2.6596   20.682   3.6998   20.617   3.8259   50.772   4.6968   50.649   4.8736 0.1227913 6.768414 
1 1 1    3   16   18 o   47.444   3.5578   17.929   2.6296   21.231   3.5924   14.118   3.8596   51.436   4.4957   41.425   6.1212 10.01142 7.594778 
1 1 1    3   16   19 o   32.571   4.9838   8.7010   2.4665   7.9736   3.3680   9.5424   3.6222   30.571   7.1487   33.505   7.1095 -2.933569 10.08212 
1 1 1    3   16   20 o   24.482   6.0075   5.0893   2.2905   2.2887   3.1329   8.3049   3.3571   19.256   7.3898   31.072   7.0475 -11.81582 10.21159 
1 1 1    3   16   21 o   16.100   6.2667   1.4704   2.2765  -0.8063   3.1857   3.8462   3.2543   15.050   6.6977   21.981   7.6728 -6.930720 10.18488 
1 1 1    3   16   22 o   28.322   5.5729   6.8323   2.3887   4.5727   3.2455   9.5031   3.5284   23.159   7.6689   32.879   7.0500 -9.719652 10.41699 
1 1 1    3   16   23 o   33.540   5.0798   9.4653   2.5901   7.3432   3.8527   11.215   3.4987   28.236   8.2072   35.887   6.4495 -7.651134 10.43806 
1 1 1    3   16   24 o   39.705   3.9861   12.957   2.4501   12.623   3.5228   13.269   3.4099   38.086   6.0999   39.305   5.6939 -1.218803 8.344469 
1 1 1    3   16   25 o   23.258   6.2489   4.9030   2.3292   6.1267   3.3624   3.7741   3.2296   25.365   7.7404   20.918   7.6061 4.447096 10.85200 
1 1 1    3   16   26 o   13.575   5.7607   0.5958   2.1336   0.1710   2.9461   1.0643   3.0939   14.746   6.5078   16.111   6.8902 -1.364703 9.477687 
1 1 1    3   16   27 o   17.598   6.1581   2.8761   2.0970   3.7766   2.8982   1.8866   3.0381   19.581   7.1918   16.642   6.9570 2.938986 10.00611 
1 1 1    3   16   28 o   13.134   5.7389   0.4998   2.2398  -0.2135   3.0691   1.3127   3.2763   13.848   6.3276   15.763   6.9129 -1.915735 9.371588 
1 1 1    3   16   29 o   15.864   5.9695   2.3661   2.0198   3.3646   2.7683   1.2295   2.9535   17.944   6.9308   14.971   6.5644 2.973964 9.546063 
1 1 1    3   16   30 o   8.7855   4.2778  -2.3526   1.8938  -0.5538   2.6061  -4.3655   2.7568   11.968   5.5938   9.6529   4.7881 2.314642 7.363173 
1 1 1    3   16   31 o   10.321   4.7762  -0.2487   1.8275   0.0893   2.5426  -0.6100   2.6283   11.901   5.5504   11.407   5.4180 0.4944286 7.756384 
1 1 1    3   17    0 o  293.602   2.4848  676.697   11.447  676.697   11.447  676.697   11.447  293.602   2.4848  293.602   2.4848 -0.000000 0.000000 
1 1 1    3   17    1 o   96.125   2.3863   72.535   3.5997   73.855   5.1056   71.229   5.0760   96.916   3.3620   95.173   3.4041 1.743111 4.784431 
1 1 1    3   17    2 o   71.791   2.8924   40.534   3.2520   38.455   4.5602   42.685   4.6387   69.832   4.1804   73.597   4.0318 -3.765175 5.807805 
1 1 1    3   17    3 o  190.760   1.7264  285.605   5.1680  282.221   7.3238  288.962   7.2937  189.600   2.4614  191.853   2.4225 -2.252640 3.453609 
1 1 1    3   17    4 f  101.273   2.1752   80.514   3.4570   83.098   4.8774   77.905   4.9007  102.819   3.0261   99.545   3.1410 3.274338 4.361574 
1 1 1    3   17    5 o  126.220   1.8692  125.054   3.7025  122.010   5.1922  128.203   5.2810  124.650   2.6543  127.775   2.6337 -3.125076 3.739233 
1 1 1    3   17    6 o  100.085   2.2744   78.651   3.5723   75.166   5.3991   81.365   4.7641   97.734   3.5260  101.729   2.9874 -3.995178 4.621421 
1 1 1    3   17    7 o  153.711   1.7136  185.474   4.1335  190.159   5.9004  180.960   5.7925  155.606   2.4163  151.794   2.4317 3.811218 3.428045 
1 1 1    3   17    8 o   75.092   2.4336   44.341   2.8641   44.030   4.0739   44.646   4.0273   74.743   3.4828   75.271   3.4183 -0.5284119 4.880047 
1 1 1    3   17    9 o  118.418   2.0406  110.136   3.7922  108.749   5.1449  111.787   5.6113  117.620   2.7873  119.197   3.0022 -1.577148 4.096585 
1 1 1    3   17   10 o   9.2263   4.5787  -6.1113   2.5329  -6.9702   3.5043  -5.1717   3.6651   11.557   5.6680   13.036   6.2481 -1.478481 8.435919 
1 1 1    3   17   11 o   87.056   2.3197   59.609   3.1663   56.761   4.4005   62.666   4.5595   84.844   3.3113   89.161   3.2642 -4.316948 4.649715 
1 1 1    3   17   12 o   83.308   2.3940   54.613   3.1266   58.167   4.3828   50.930   4.4615   85.876   3.2581   80.308   3.5489 5.568069 4.817657 
1 1 1    3   17   13 o   76.572   2.6949   46.203   3.2332   56.045   4.6909   37.296   4.4626   84.217   3.5574   68.571   4.1668 15.64635 5.478773 
1 1 1    3   17   14 o   14.087   6.1110  -0.3232   2.5013   4.4686   3.5958  -4.8159   3.4818   24.103   8.0745   12.717   6.0938 11.38618 10.11592 
1 1 1    3   17   15 o   59.326   3.0080   27.829   2.7913   34.193   4.0932   22.297   3.8164   65.595   3.9953   52.784   4.6549 12.81138 6.134388 
1 1 1    3   17   16 o  116.608   2.0214  106.980   3.6991  109.467   5.3270  104.663   5.1407  117.793   2.8817  115.188   2.8439 2.605614 4.048685 
1 1 1    3   17   17 o   36.890   4.5494   11.002   2.5780   4.4193   3.5879   18.028   3.7066   23.803   8.0659   47.212   5.0827 -23.40917 9.533821 
1 1 1    3   17   18 o   56.050   3.1074   24.950   2.7226   26.163   3.8619   23.751   3.8388   57.080   4.3439   54.310   4.5458 2.769817 6.287563 
1 1 1    3   17   19 o   23.697   6.1988   4.7694   2.3312   5.6322   3.3114   3.9218   3.2824   25.669   7.6487   22.333   7.7109 3.335945 10.86092 
1 1 1    3   17   20 o   49.095   3.1496   19.256   2.4138   22.088   3.4243   16.459   3.4031   52.240   4.2127   44.789   4.9227 7.450924 6.479155 
1 1 1    3   17   21 o   12.661   5.9150  -2.4246   2.9085  -7.3851   4.1346   2.4347   4.0922   12.571   6.1634   20.652   8.2862 -8.080855 10.32705 
1 1 1    3   17   22 o   10.893   5.1928  -2.8999   2.4596  -1.5063   3.4965  -4.2650   3.4606   14.905   6.7888   12.646   6.0638 2.258818 9.102640 
1 1 1    3   17   23 o   19.633   6.8419   3.1799   2.5870  -1.1844   3.9199   6.5479   3.4435   15.987   7.2449   26.637   7.7639 -10.64952 10.61915 
1 1 1    3   17   24 o   11.504   5.2903  -1.2568   2.1919  -0.8762   3.1336  -1.6213   3.0670   14.393   6.5044   13.510   6.2291 0.8831968 9.006072 
1 1 1    3   17   25 o   20.875   6.2044   4.0085   2.1811   4.3932   3.0893   3.6262   3.0798   21.620   7.4799   20.204   7.4148 1.416470 10.53226 
1 1 1    3   17   26 o   14.719   5.9511   1.3970   2.1284   3.3641   3.0264  -0.5280   2.9939   19.088   7.2785   13.833   6.2933 5.255106 9.621968 
1 1 1    3   17   27 o   8.5694   4.2303  -3.7862   2.0601  -2.6888   2.9458  -4.8366   2.8821   11.605   5.5726   10.137   5.0042 1.467922 7.489739 
1 1 1    3   17   28 o   9.6489   4.6592  -2.4172   2.1283  -1.7184   3.1555  -3.0004   2.8827   12.556   5.9558   11.091   5.3716 1.465019 8.020330 
1 1 1    3   17   29 o   16.144   6.2068   2.6227   2.2129   5.2753   3.1366  -0.0061   3.1225   20.584   7.4941   13.580   6.2699 7.004099 9.771036 
1 1 1    3   17   30 o   10.824   5.0522  -0.4473   2.1142  -0.6127   3.0476  -0.2938   2.9355   12.191   5.8027   12.292   5.8048 -0.1011200 8.207754 
1 1 1    3   18    0 o  214.131   2.4190  360.053   8.1263  360.053   8.1263  360.053   8.1263  214.131   2.4190  214.131   2.4190 -0.000000 0.000000 
1 1 1    3   18    1 o   48.242   4.6408   18.480   3.4701   20.436   4.8589   16.444   4.9574   50.525   6.2620   45.068   7.2557 5.457161 9.584291 
1 1 1    3   18    2 o   38.045   6.3162   11.720   3.6389   18.109   5.2351   5.7471   5.0616   47.332   7.2808   28.037   9.5790 19.29480 12.03191 
1 1 1    3   18    3 o   10.813   5.3045  -6.1895   3.0752  -6.9395   4.3654  -5.4507   4.3329   13.809   6.6692   14.612   6.9449 -0.8028383 9.628629 
1 1 1    3   18    4 o   35.343   5.8611   10.114   3.1369   5.3227   4.3595   15.258   4.5173   26.628   8.8902   43.417   6.8574 -16.78895 11.22764 
1 1 1    3   18    5 o  107.913   2.3580   91.467   3.9933   85.509   5.5319   97.950   5.7703  104.228   3.3866  111.569   3.2994 -7.341080 4.728073 
1 1 1    3   18    6 o   88.936   2.7549   62.222   3.8404   58.885   5.7478   64.913   5.1616   86.360   4.2542   90.756   3.6314 -4.395935 5.593362 
1 1 1    3   18    7 o   44.962   4.1188   16.060   2.8739   20.516   4.2144   12.185   3.9293   50.677   5.3814   38.656   6.7210 12.02084 8.609927 
1 1 1    3   18    8 o   55.078   3.2651   23.955   2.8095   21.059   4.0845   26.556   3.8706   51.370   5.1354   57.874   4.2923 -6.503700 6.692982 
1 1 1    3   18    9 o   87.360   2.5157   60.048   3.4453   59.115   4.8688   60.984   4.8759   86.554   3.5923   87.921   3.5412 -1.367073 5.044312 
1 1 1    3   18   10 o   51.441   3.3009   20.926   2.6507   18.640   3.7313   23.255   3.7662   48.282   4.9967   54.073   4.4785 -5.791019 6.709941 
1 1 1    3   18   11 o   20.689   6.6423   3.3403   2.4442   3.8261   3.4166   2.8311   3.4980   22.809   7.8673   21.205   7.8807 1.603449 11.13558 
1 1 1    3   18   12 o   27.041   5.9475   6.0507   2.4551   7.7425   3.4130   4.2364   3.5343   30.459   7.2461   23.647   8.0055 6.812128 10.79783 
1 1 1    3   18   13 o   14.506   6.1318   0.1784   2.4014  -0.1332   3.3794   0.4963   3.4130   16.665   7.1653   17.531   7.3544 -0.8659344 10.26787 
1 1 1    3   18   14 o   23.639   6.3399   4.6442   2.4001   5.5119   3.3607   3.7410   3.4289   25.845   7.7064   22.533   7.8753 3.312069 11.01855 
1 1 1    3   18   15 o   67.279   2.6612   35.743   2.8041   36.187   3.9408   35.288   3.9910   67.490   3.7354   66.622   3.8335 0.8686600 5.352427 
1 1 1    3   18   16 o   71.091   2.5456   39.908   2.8354   37.875   3.9434   42.084   4.0796   69.021   3.6538   72.782   3.5828 -3.761620 5.117298 
1 1 1    3   18   17 o   28.852   5.6506   6.9457   2.4668   6.6879   3.4309   7.2216   3.5494   27.950   7.6160   29.003   7.6787 -1.052437 10.81508 
1 1 1    3   18   18 o   53.280   3.0571   22.590   2.5454   20.453   3.5625   24.818   3.6381   50.253   4.5672   55.518   4.2071 -5.265400 6.209548 
1 1 1    3   18   19 o   36.748   4.1122   10.976   2.3308   15.201   3.2892   6.7151   3.3034   43.010   4.9643   27.685   7.4434 15.32445 8.946995 
1 1 1    3   18   20 o   20.159   6.4631   3.3928   2.3147   2.3219   3.2734   4.4637   3.2735   19.268   7.5104   23.001   7.7041 -3.732765 10.75912 
1 1 1    3   18   21 o   26.438   6.3781   6.1364   2.6155   0.4343   3.4298   14.061   4.0433   16.816   7.2242   40.223   6.6367 -23.40785 9.809987 
1 1 1    3   18   22 o   15.647   6.3386   1.1927   2.4199  -2.0319   3.4389   4.3555   3.4058   14.195   6.5630   22.482   7.8493 -8.287671 10.23154 
1 1 1    3   18   23 o   27.803   6.2841   6.9331   2.6772   7.4887   4.0378   6.4972   3.5763   27.793   8.4824   26.172   7.9820 1.620550 11.64752 
1 1 1    3   18   24 o   15.169   6.2446   1.1349   2.3955   5.7893   3.3889  -3.5130   3.3866   24.405   7.8200   12.623   6.0381 11.78264 9.879829 
1 1 1    3   18   25 o   15.551   6.2992   1.5883   2.3897   5.8260   3.3487  -2.8091   3.4112   23.675   7.7878   12.862   6.1271 10.81289 9.909139 
1 1 1    3   18   26 o   14.886   6.2027   1.3863   2.4032   4.8612   3.2500  -2.8059   3.5697   21.194   7.6406   12.868   6.1671 8.326327 9.818954 
1 1 1    3   18   27 o   10.732   5.0907  -1.7159   2.3055  -3.4907   3.2984  -0.0203   3.2239   11.678   5.6769   14.158   6.4754 -2.480145 8.611522 
1 1 1    3   18   28 o   16.820   6.3611   2.8695   2.3000   3.7228   3.2575   2.0214   3.2477   18.290   7.3739   16.032   6.9590 2.257816 10.13917 
1 1 1    3   18   29 o   10.208   4.8217  -1.0127   2.0272  -1.4547   2.8421  -0.5549   2.8923   11.467   5.4976   12.246   5.7769 -0.7795935 7.974664 
1 1 1    3   18   30 o   13.955   5.7428   2.1266   2.0249   5.2696   2.8536  -1.0615   2.8740   18.684   7.0809   11.322   5.4539 7.361782 8.937860 
1 1 1    3   19    0 o  148.525   2.5992  173.378   6.0541  173.378   6.0541  173.378   6.0541  148.525   2.5992  148.525   2.5992 -0.000000 0.000000 
1 1 1    3   19    1 o   84.901   2.4448   56.681   3.2540   52.844   4.5359   60.751   4.6707   81.875   3.5386   87.813   3.3958 -5.937637 4.904410 
1 1 1    3   19    2 o   51.132   3.7235   20.688   2.9673   21.019   4.1891   20.354   4.2037   51.327   5.2758   50.482   5.3895 0.8444672 7.541964 
1 1 1    3   19    3 o  121.314   2.0173  115.592   3.8406  123.036   5.4862  108.438   5.3782  125.103   2.7945  117.437   2.9183 7.666359 4.040462 
1 1 1    3   19    4 o   70.058   3.0272   38.674   3.3203   34.145   4.7263   43.087   4.6654   65.627   4.6187   73.838   4.0417 -8.211182 6.137359 
1 1 1    3   19    5 o  155.481   1.9185  189.876   4.6811  194.716   6.7453  185.380   6.5015  157.368   2.7313  153.553   2.6980 3.815170 3.839231 
1 1 1    3   19    6 o   40.277   4.8033   12.994   2.9763   12.327   4.2955   13.609   4.1277   38.716   7.3386   40.873   6.6647 -2.156898 9.913281 
1 1 1    3   19    7 o   52.326   3.8307   21.699   3.1238   21.405   4.6060   21.949   4.2507   51.641   5.7828   52.404   5.2388 -0.7632713 7.802937 
1 1 1    3   19    8 o  106.802   2.4471   89.693   4.1015   88.589   5.7585   90.830   5.8433  105.974   3.4673  107.306   3.4745 -1.332062 4.908581 
1 1 1    3   19    9 o   61.697   4.2324   30.217   4.0730   34.869   5.7743   25.610   5.7461   66.021   5.6269   56.277   6.6336 9.744499 8.698651 
1 1 1    3   19   10 o   18.141   7.0315   1.7205   2.8568   6.3988   4.2181  -2.2441   3.8830   28.069   8.6886   15.775   7.1730 12.29475 11.26694 
1 1 1    3   19   11 o   36.885   4.8813   10.983   2.7562   5.2751   3.7582   17.626   4.0543   25.705   8.2349   46.701   5.6465 -20.99515 9.984837 
1 1 1    3   19   12 o   57.080   3.2768   25.804   2.9229   25.639   4.0524   25.982   4.2198   56.644   4.5983   56.987   4.7620 -0.3430099 6.619737 
1 1 1    3   19   13 o   16.773   6.7037   1.1991   2.6678  -0.1172   3.6811   2.6551   3.8717   17.346   7.4686   21.376   8.2120 -4.029324 11.10031 
1 1 1    3   19   14 o   50.885   3.9114   20.658   3.0995   23.035   4.3848   18.284   4.3819   53.397   5.3027   47.303   6.0405 6.094231 8.037822 
1 1 1    3   19   15 o   53.795   3.7200   23.075   3.1211   19.213   4.3285   27.257   4.5045   48.491   5.8033   58.139   4.9852 -9.647869 7.650479 
1 1 1    3   19   16 o   22.215   7.2523   3.9862   2.9064   5.5188   4.0525   2.3629   4.1706   25.907   8.5691   21.182   8.4096 4.724302 12.00628 
1 1 1    3   19   17 o   42.533   4.5068   14.692   2.9624   13.557   4.1391   15.883   4.2417   39.982   6.8426   43.537   6.3993 -3.554115 9.368682 
1 1 1    3   19   18 o   24.493   6.8077   5.1842   2.7107   6.4063   3.5111   3.3811   4.2648   27.007   7.8305   22.362   8.6116 4.644682 11.63946 
1 1 1    3   19   19 o   19.740   6.8323   3.1038   2.5777   0.5849   3.4074   6.4739   3.9413   17.073   7.2641   26.921   8.4093 -9.847466 11.11230 
1 1 1    3   19   20 o   21.127   7.3957   3.6613   3.0247   3.3319   4.1513   4.0342   4.4162   21.743   8.4626   22.999   8.7868 -1.255638 12.19935 
1 1 1    3   19   21 o   19.846   6.7829   3.2929   2.5380   2.6464   3.5563   3.9639   3.6232   19.826   7.7985   21.958   8.0451 -2.131306 11.20444 
1 1 1    3   19   22 o   16.038   6.4381   1.4363   2.4716   3.0611   3.5395  -0.1099   3.4529   20.195   7.8270   15.941   7.0396 4.254711 10.52703 
1 1 1    3   19   23 o   19.415   6.9187   3.2502   2.6565   3.2852   3.7386   3.2146   3.7754   20.359   7.9996   20.292   8.0185 0.6793022E-01 11.32652 
1 1 1    3   19   24 o   11.124   5.2427  -1.8964   2.3720  -4.8250   3.4499   0.7293   3.2666   11.731   5.7254   15.858   6.9298 -4.127560 8.989025 
1 1 1    3   19   25 o   11.314   5.2705  -1.2461   2.2827  -1.0527   3.2111  -1.4437   3.2456   13.568   6.2972   13.304   6.2262 0.2645998 8.855496 
1 1 1    3   19   26 o   14.822   6.0669   1.6292   2.2444  -0.2339   3.1131   3.6455   3.2387   13.824   6.3379   18.711   7.4164 -4.886866 9.755626 
1 1 1    3   19   27 o   10.124   4.8470  -1.9729   2.1918  -2.6006   3.1276  -1.3671   3.0723   11.767   5.6736   12.556   5.9322 -0.7886028 8.208568 
1 1 1    3   19   28 o   9.8457   4.7325  -1.8530   2.1370  -0.8614   2.9923  -2.8853   3.0529   12.376   5.8493   11.080   5.4029 1.295831 7.962815 
1 1 1    3   19   29 o   11.073   5.1278  -0.0597   2.1119  -1.8441   3.0104   1.6695   2.9635   11.093   5.3995   13.850   6.2854 -2.756732 8.286230 
1 1 1    3   20    0 o  140.969   2.7514  156.288   6.0816  156.288   6.0816  156.288   6.0816  140.969   2.7514  140.969   2.7514 0.000000 0.000000 
1 1 1    3   20    1 o   54.150   3.5464   23.195   2.9971   22.199   4.2169   24.212   4.2605   52.727   5.1624   55.118   4.9792 -2.391567 7.172339 
1 1 1    3   20    2 o   54.594   3.4793   23.570   2.9653   19.303   4.1287   28.116   4.2617   49.076   5.4529   59.488   4.6008 -10.41199 7.134524 
1 1 1    3   20    3 o   47.560   3.9571   17.961   2.9267   18.661   4.1374   17.260   4.1406   48.213   5.5707   46.292   5.8285 1.920746 8.062516 
1 1 1    3   20    4 o   64.311   2.9783   32.619   2.9976   34.160   4.2258   31.059   4.2529   65.664   4.1217   62.564   4.3589 3.099770 5.999043 
1 1 1    3   20    5 o   16.558   6.6738   1.0047   2.6675   4.1829   3.8107  -2.0489   3.7353   23.938   8.3061   15.613   7.0741 8.324873 10.91028 
1 1 1    3   20    6 o   63.445   3.3011   31.802   3.2754   34.789   4.7638   29.124   4.5108   66.158   4.6175   60.472   4.7924 5.686256 6.654949 
1 1 1    3   20    7 o  134.383   2.0787  141.956   4.3838  135.637   6.1718  148.391   6.2279  131.229   2.9969  137.279   2.8909 -6.049347 4.163976 
1 1 1    3   20    8 o   90.817   2.6183   64.974   3.7276   66.892   5.2983   63.094   5.2454   91.973   3.6783   89.305   3.7512 2.667503 5.253677 
1 1 1    3   20    9 o   47.884   4.4355   18.322   3.2952   21.426   4.9394   15.833   4.4235   51.391   6.2531   43.978   6.6142 7.413593 9.102100 
1 1 1    3   20   10 o   20.834   7.2633   3.1719   2.9156   0.9456   4.2024   5.2382   4.0486   19.755   8.2144   25.817   8.5660 -6.061783 11.86814 
1 1 1    3   20   11 o   36.703   4.9419   10.915   2.7742   11.454   3.8478   10.330   4.0035   37.123   6.8574   35.050   7.5049 2.072731 10.16599 
1 1 1    3   20   12 o   13.212   5.9692  -1.3231   2.6374  -4.8559   3.5916   2.8115   3.8855   12.931   6.1945   21.593   8.2438 -8.661512 10.31179 
1 1 1    3   20   13 o   43.440   4.2090   15.144   2.8334   18.495   3.9390   11.552   4.0788   47.744   5.3491   37.039   7.2769 10.70550 9.031373 
1 1 1    3   20   14 o   21.258   6.8364   3.6361   2.5883   5.5469   3.6452   1.6929   3.6759   25.816   8.0907   19.482   7.8407 6.334057 11.26655 
1 1 1    3   20   15 o   31.697   5.7452   8.3879   2.7526   8.8581   3.7663   7.8487   4.0329   32.024   7.6077   30.035   8.2868 1.989407 11.24935 
1 1 1    3   20   16 o   45.638   3.8962   16.773   2.7638   18.322   3.9132   15.231   3.9040   47.189   5.3803   42.737   5.9848 4.452030 8.047717 
1 1 1    3   20   17 o   28.614   6.1009   7.0117   2.6559   8.6490   3.7626   5.3860   3.7493   31.245   7.7192   25.076   8.2400 6.168833 11.29091 
1 1 1    3   20   18 o   15.903   6.5277   0.9915   2.6077  -0.5061   3.7229   2.4342   3.6538   16.485   7.2934   19.976   7.8901 -3.491673 10.74465 
1 1 1    3   20   19 o   15.730   6.4994   0.9375   2.6077   1.0850   3.7391   0.7977   3.6388   18.169   7.6643   17.639   7.5058 0.5306854 10.72748 
1 1 1    3   20   20 o   23.548   6.9688   4.9703   2.7564   1.9345   4.0725   7.5365   3.7444   19.568   8.1072   28.420   8.0381 -8.851902 11.41650 
1 1 1    3   20   21 o   15.767   6.3783   1.3054   2.4463  -2.8215   3.4632   5.4153   3.4560   13.491   6.3510   24.179   7.9093 -10.68778 10.14353 
1 1 1    3   20   22 f   12.178   5.5684  -1.0797   2.3823  -0.9923   3.3938  -1.1646   3.3449   14.713   6.6963   14.447   6.6030 0.2662621 9.404254 
1 1 1    3   20   23 o   17.130   6.7867   2.2027   2.7110  -0.0441   3.8532   4.4051   3.8150   16.060   7.2392   21.390   8.1681 -5.330185 10.91440 
1 1 1    3   20   24 o   11.961   5.5763  -1.3315   2.5634   0.0019   3.6092  -2.6888   3.6413   15.249   6.9268   13.180   6.2927 2.069489 9.358375 
1 1 1    3   20   25 o   13.542   6.0108   0.3939   2.5491  -0.9345   3.6012   1.7277   3.6087   14.039   6.5664   16.507   7.2466 -2.468483 9.779131 
1 1 1    3   20   26 o   14.007   6.0848   0.9967   2.4870   3.7124   3.5102  -1.7407   3.5242   18.467   7.5761   13.082   6.2306 5.385051 9.809113 
1 1 1    3   20   27 o   13.466   5.9141   0.9365   2.4059   2.4003   3.4190  -0.4994   3.3863   16.177   7.0789   13.411   6.3029 2.765706 9.478251 
1 1 1    3   20   28 o   9.7010   4.7136  -2.0580   2.2667  -2.9282   3.1088  -1.0703   3.3119   10.735   5.2795   12.123   5.8434 -1.387580 7.875179 
1 1 1    3   21    0 o   81.993   5.0511   53.620   6.4422   53.620   6.4422   53.620   6.4422   81.993   5.0511   81.993   5.0511 -0.000000 0.000000 
1 1 1    3   21    1 o   97.389   3.1437   74.801   4.7984   79.336   6.8659   70.471   6.7087  100.065   4.3829   94.262   4.5486 5.803101 6.316623 
1 1 1    3   21    2 o   95.407   2.8350   71.726   4.2399   75.051   6.1308   68.678   5.8699   97.390   4.0201   93.155   4.0248 4.235107 5.688579 
1 1 1    3   21    3 o   68.586   3.3510   37.176   3.5958   38.644   5.1252   35.753   5.0463   69.690   4.7141   66.996   4.8322 2.693451 6.750743 
1 1 1    3   21    4 o   55.183   3.9877   24.188   3.4300   27.180   4.8900   21.290   4.8125   58.231   5.4131   51.320   6.0944 6.910320 8.151303 
1 1 1    3   21    5 o  100.251   2.4141   79.078   3.7979   79.708   5.4421   78.481   5.3028  100.445   3.4576   99.680   3.3949 0.7647552 4.845691 
1 1 1    3   21    6 o   20.761   7.3518   3.0594   2.9952   2.9712   4.4312   3.1336   4.0643   22.819   8.7805   22.489   8.4668 0.3300362 12.19767 
1 1 1    3   21    7 o   56.827   3.5421   25.609   3.1431   28.337   4.4785   22.962   4.4123   59.527   4.8358   53.429   5.3335 6.098324 7.199369 
1 1 1    3   21    8 o   67.887   2.9395   36.413   3.1242   34.925   4.4106   37.912   4.4260   66.227   4.2665   69.049   4.1031 -2.821953 5.919261 
1 1 1    3   21    9 o   48.265   4.0761   18.600   3.0585   23.548   4.5985   14.675   4.0956   53.997   5.5037   42.266   6.3727 11.73073 8.420298 
1 1 1    3   21   10 o   32.008   6.1792   8.5116   2.9914   12.634   4.4407   5.0873   4.0475   38.759   7.5726   25.440   8.5670 13.31840 11.43410 
1 1 1    3   21   11 o   19.582   6.9172   2.7767   2.6503   2.6343   3.7078   2.9255   3.7897   20.991   8.0434   21.564   8.1630 -0.5728703 11.45998 
1 1 1    3   21   12 o   31.096   5.6568   8.0191   2.6588   7.7671   3.7452   8.2751   3.7752   30.117   7.8466   31.087   7.7624 -0.9701633 11.03743 
1 1 1    3   21   13 o   12.880   5.8722  -1.5213   2.6240  -4.1649   3.6856   1.1959   3.7366   13.554   6.4313   18.872   7.7873 -5.318681 10.09966 
1 1 1    3   21   14 o   14.173   6.1578  -0.2213   2.5481  -0.9141   3.5712   0.4972   3.6367   15.980   7.1026   17.705   7.5177 -1.725685 10.34223 
1 1 1    3   21   15 o   16.820   6.5415   1.6193   2.4789   0.6582   3.4843   2.6043   3.5275   17.481   7.3876   20.275   7.8257 -2.794258 10.76185 
1 1 1    3   21   16 o   17.257   6.5879   1.8966   2.4812  -2.9642   3.4704   6.9791   3.5487   13.722   6.4271   28.021   7.7897 -14.29893 10.09882 
1 1 1    3   21   17 o   42.900   3.9777   14.974   2.6474   11.871   3.7268   18.135   3.7614   36.977   6.6675   46.676   5.2246 -9.698353 8.470696 
1 1 1    3   21   18 o   19.842   6.7364   3.2621   2.5027   3.4514   3.5778   3.0807   3.5020   21.222   7.9536   20.548   7.8310 0.6738758 11.16169 
1 1 1    3   21   19 o   17.972   6.6455   2.4237   2.4817  -1.3971   3.5196   6.2015   3.4997   14.916   6.8007   25.900   7.8956 -10.98342 10.42061 
1 1 1    3   21   20 o   15.719   6.3920   1.2568   2.4718   0.8931   3.5188   1.6111   3.4729   17.183   7.3484   18.011   7.4765 -0.8276615 10.48317 
1 1 1    3   21   21 f   14.524   6.1706   0.6209   2.4526   0.1727   3.5076   1.0497   3.4306   16.102   7.1037   16.969   7.2563 -0.8670807 10.15464 
1 1 1    3   21   22 o   14.795   6.2191   0.9919   2.4482  -1.2329   3.4886   3.1508   3.4366   14.350   6.6260   19.327   7.6463 -4.977383 10.11778 
1 1 1    3   21   23 o   20.739   7.1422   4.4037   2.8154   5.9238   3.9273   2.7966   4.0382   22.911   8.3789   18.663   7.9230 4.247835 11.53171 
1 1 1    3   21   24 o   15.098   6.4000   1.4645   2.6282   0.0625   3.7500   2.8181   3.6846   15.086   6.9310   17.829   7.5685 -2.742792 10.26261 
1 1 1    3   21   25 o   13.901   6.1125   0.8122   2.5772   1.9529   3.6891  -0.2753   3.6020   16.455   7.2711   14.301   6.6483 2.153469 9.852344 
1 1 1    3   21   26 o   11.779   5.5304  -0.9718   2.5964  -2.7969   3.7656   0.6823   3.5848   12.521   6.0818   14.720   6.7678 -2.198765 9.098947 
1 1 1    3   21   27 o   12.263   5.6018   0.4241   2.4032  -0.4864   3.3997   1.3335   3.3975   12.734   6.0799   14.148   6.5349 -1.414201 8.925825 
1 1 1    3   22    0 o   12.594   8.1656  -0.1106   3.8296  -0.1106   3.8296  -0.1106   3.8296   12.594   8.1656   12.594   8.1656 -0.000000 0.000000 
1 1 1    3   22    1 o   51.805   3.6686   21.316   2.9632   24.027   4.1706   18.551   4.2110   54.770   4.9041   47.880   5.7172 6.890026 7.532360 
1 1 1    3   22    2 o   60.046   3.2381   28.536   3.0400   23.803   4.2544   33.474   4.3455   54.475   5.0335   64.848   4.2943 -10.37217 6.616424 
1 1 1    3   22    3 o   24.020   6.9664   4.7543   2.7786   4.2279   3.9420   5.2741   3.9171   24.000   8.4398   25.770   8.4198 -1.769436 11.92152 
1 1 1    3   22    4 o   69.867   2.9163   38.560   3.1905   35.295   4.5286   41.778   4.4956   66.559   4.3596   72.528   3.9649 -5.968452 5.892937 
1 1 1    3   22    5 o   21.236   7.1015   3.4692   2.7816  -0.9630   3.8705   8.2033   4.0002   16.886   7.4553   31.137   8.1078 -14.25144 11.01444 
1 1 1    3   22    6 o   20.785   7.4665   3.0320   3.1003   2.1095   4.3769   3.9609   4.3921   21.463   8.5839   24.057   8.8504 -2.593399 12.32936 
1 1 1    3   22    7 o   55.069   3.4850   24.087   2.9963   24.070   4.1920   24.105   4.2845   54.720   4.9346   54.730   5.0452 -0.1078033E-01 7.057206 
1 1 1    3   22    8 o   28.923   6.3468   7.0056   2.8015   7.2315   3.9536   6.7778   3.9702   29.210   8.2589   28.371   8.3551 0.8386707 11.74810 
1 1 1    3   22    9 o   13.268   6.0967  -1.9965   2.9033  -7.1032   4.3305   2.1727   3.9129   13.428   6.5222   20.644   8.1615 -7.216126 10.44742 
1 1 1    3   22   10 o   21.226   7.5865   3.2746   3.1964   6.3415   4.8469   0.9142   4.2521   27.881   9.3749   19.605   8.2156 8.276667 12.46531 
1 1 1    3   22   11 o   14.583   6.4362  -0.6631   2.8824  -0.2898   4.0449  -1.0482   4.1087   17.778   7.7410   17.153   7.6217 0.6246662 10.86334 
1 1 1    3   22   12 o   33.131   5.9018   9.1904   2.9560   8.4541   4.1281   9.9654   4.2349   31.069   8.3065   33.779   8.0948 -2.709639 11.59843 
1 1 1    3   22   13 o   41.619   4.4989   14.098   2.8917   11.224   4.0200   17.180   4.1625   36.013   7.3618   45.405   5.9875 -9.392033 9.489332 
1 1 1    3   22   14 o   25.099   6.7871   5.4672   2.7370   8.1908   3.8403   2.6556   3.9018   30.332   7.9668   20.815   8.1743 9.516317 11.41438 
1 1 1    3   22   15 o   28.874   6.2987   7.2183   2.7736   9.5020   3.9179   4.9240   3.9269   32.574   7.7729   24.203   8.4298 8.371370 11.46647 
1 1 1    3   22   16 o   28.209   6.4228   6.9743   2.7793   4.6955   3.9611   9.1840   3.9007   23.657   8.4465   31.778   7.8648 -8.120762 11.54112 
1 1 1    3   22   17 o   23.120   7.0728   4.7405   2.8051   5.2797   4.2856   4.3364   3.7104   24.574   8.7843   22.721   8.1674 1.853077 11.99460 
1 1 1    3   22   18 o   14.151   6.2814  -0.4361   2.7839  -3.1400   3.9313   2.2839   3.9429   14.380   6.7685   19.728   8.0540 -5.348014 10.52043 
1 1 1    3   22   19 o   18.026   7.0686   2.2299   2.9141   7.5930   4.2737  -2.4304   3.9839   27.744   8.7694   14.877   6.9412 12.86688 11.18407 
1 1 1    3   22   20 f   18.011   7.1682   2.2673   3.0375   5.7997   4.5806  -0.5053   4.0581   24.313   9.0215   16.381   7.4024 7.931913 11.66978 
1 1 1    3   22   21 o   18.199   7.2044   2.6585   3.0528   2.2051   4.1755   3.1792   4.4745   18.738   8.0088   20.091   8.4240 -1.352949 11.62347 
1 1 1    3   22   22 o   14.131   6.2953   0.2150   2.8218  -6.1096   3.8043   7.9507   4.2074   11.596   5.7291   25.906   8.7347 -14.30942 10.44589 
1 1 1    3   22   23 f   15.349   6.7989   1.0375   3.2444  -2.0119   4.8455   3.5155   4.3680   15.040   7.2022   18.907   8.1380 -3.866428 10.86730 
1 1 1    3   22   24 o   9.0667   4.5494  -6.4519   2.8189  -9.1097   3.9954  -3.8174   3.9778   10.435   5.2596   12.558   6.1332 -2.122551 8.079546 
1 1 1    3   22   25 o   19.812   7.0337   4.6352   2.7432   7.3798   3.7765   1.5695   3.9913   23.186   8.2507   15.882   7.2415 7.303799 10.97786 
1 1 1    3   22   26 o   9.7100   4.7651  -2.9221   2.4891  -6.2725   3.5400   0.3541   3.5006   10.096   5.0705   13.551   6.3811 -3.455002 8.150402 
1 1 1    3   22   27 f   10.051   4.8897  -1.7822   2.4590  -3.1060   3.4682  -0.4442   3.4869   10.856   5.3822   12.284   5.9396 -1.428720 8.015425 
1 1 1    3   23    0 f   26.836   10.149   7.8171   4.0071   7.8171   4.0071   7.8171   4.0071   26.836   10.149   26.836   10.149 0.000000 0.000000 
1 1 1    3   23    1 o   37.407   5.0667   11.366   2.8979   10.195   4.1570   12.472   4.0419   34.678   7.8252   38.706   6.9078 -4.027645 10.43797 
1 1 1    3   23    2 o   27.045   6.7096   6.1468   2.8340   2.9036   3.9862   9.4612   4.0298   21.879   8.3507   33.382   7.8287 -11.50386 11.44651 
1 1 1    3   23    3 o   16.719   6.7931   1.0084   2.7889  -3.6039   3.8843   5.9160   4.0067   14.558   6.8125   26.838   8.4921 -12.27987 10.88696 
1 1 1    3   23    4 o   25.531   6.9048   5.4735   2.8326   7.1287   3.9713   3.7595   4.0413   29.015   8.3020   23.227   8.4987 5.788458 11.88068 
1 1 1    3   23    5 o   15.929   6.7892   0.1374   2.9855   0.4506   3.9503  -0.2799   4.5592   18.525   7.8492   18.996   8.2452 -0.4702511 11.38392 
1 1 1    3   23    6 o   43.328   4.7668   15.172   3.1877   13.468   4.2310   17.408   4.8480   40.134   6.9706   45.750   6.9725 -5.616764 9.859236 
1 1 1    3   23    7 o   18.856   7.0157   2.3209   2.7737   2.4399   3.9678   2.2072   3.8790   21.061   8.2513   20.585   8.1299 0.4757957 11.58357 
1 1 1    3   23    8 o   24.622   6.9380   5.1175   2.7950   3.2831   3.9205   7.0134   3.9857   22.170   8.3222   28.611   8.3566 -6.440737 11.79376 
1 1 1    3   23    9 f   24.621   6.9861   5.1412   2.8239   9.9949   4.0659   0.6185   3.9249   34.011   7.7863   18.509   7.8322 15.50236 11.04395 
1 1 1    3   23   10 o   17.297   7.0575   1.1642   3.0255   0.4352   4.4853   1.7729   4.0982   19.318   8.2798   20.171   8.2201 -0.8528576 11.66725 
1 1 1    3   23   11 o   13.343   6.0768  -1.4966   2.8009  -4.5914   3.9127   1.7564   4.0114   13.732   6.5472   19.906   8.1248 -6.173918 10.43451 
1 1 1    3   23   12 o   14.816   6.4150  -0.0617   2.7458  -2.8132   3.8527   2.7789   3.9145   14.806   6.8806   21.024   8.2077 -6.217306 10.71020 
1 1 1    3   23   13 o   17.213   6.8994   1.5009   2.8342  -6.5997   3.9348   10.235   4.0858   12.511   6.1079   33.834   7.8476 -21.32330 9.944386 
1 1 1    3   23   14 o   18.715   7.2237   2.2937   3.0058   1.1456   4.1805   3.5225   4.3249   19.091   8.0810   22.285   8.6477 -3.194178 11.83578 
1 1 1    3   23   15 o   27.842   6.8454   6.9144   2.9696   4.1887   3.9928   10.288   4.4422   22.760   8.4270   33.182   8.4953 -10.42239 11.96592 
1 1 1    3   23   16 o   10.422   5.0879  -4.5865   2.7285  -1.9264   3.8405  -7.2975   3.8771   15.173   6.9867   11.871   5.8495 3.301571 9.112160 
1 1 1    3   23   17 o   16.670   6.7843   1.4492   2.7871  -1.8225   3.9284   4.7650   3.9548   15.336   7.0632   23.231   8.4212 -7.895755 10.99121 
1 1 1    3   23   18 o   16.309   6.6355   1.4566   2.6654   0.1003   3.8737   2.6761   3.6732   16.802   7.4364   19.573   7.8515 -2.771275 10.81419 
1 1 1    3   23   19 o   11.263   5.3594  -2.6116   2.5952   0.1321   3.7266  -5.1952   3.6162   16.336   7.2586   12.076   5.8869 4.260232 9.345760 
1 1 1    3   23   20 o   20.560   7.2726   4.1093   2.9304  -0.3572   3.9600   9.5157   4.3567   15.822   7.2135   29.249   8.7868 -13.42727 11.36849 
1 1 1    3   23   21 o   16.713   6.7010   2.2837   2.6743   1.6290   3.6169   3.0735   3.9722   16.832   7.3246   18.801   7.9135 -1.969082 10.78303 
1 1 1    3   23   22 f   23.945   6.9134   6.1907   2.7422   3.7135   3.8083   8.8580   3.9517   18.881   7.8328   26.767   8.4289 -7.885492 11.50643 
1 1 1    3   23   23 o   13.205   6.1247  -0.4847   3.0307  -0.8406   4.2359  -0.1115   4.3380   14.626   6.9268   15.235   7.1519 -0.6093388 9.956409 
1 1 1    3   23   24 o   16.570   6.6714   2.8345   2.6624   4.2260   3.6904   1.3243   3.8446   18.554   7.7050   15.524   7.0891 3.030391 10.47007 
1 1 1    3   23   25 o   9.9313   4.8553  -2.6749   2.5112   0.6031   3.6707  -5.5588   3.4430   13.936   6.5535   10.231   5.1184 3.704383 8.315434 
1 1 1    3   23   26 o   12.689   5.7261   1.2110   2.4183   3.3797   3.4011  -1.0068   3.4394   15.278   6.8510   11.902   5.7883 3.375612 8.968884 
1 1 1    3   24    0 o   11.642   7.7913  -1.2567   3.9455  -1.2567   3.9455  -1.2567   3.9455   11.642   7.7913   11.642   7.7913 -0.000000 0.000000 
1 1 1    3   24    1 o   47.542   4.0511   18.115   2.9936   22.038   4.2398   14.216   4.2275   52.121   5.2552   41.269   6.7616 10.85245 8.563662 
1 1 1    3   24    2 o   16.015   6.7295   0.4552   2.8650   1.4082   4.1148  -0.4416   3.9915   19.926   8.1918   17.556   7.6663 2.370161 11.21948 
1 1 1    3   24    3 o   22.434   7.6151   3.9402   3.1982   3.6006   4.4829   4.2922   4.5639   23.401   8.8737   24.488   9.0197 -1.087833 12.65294 
1 1 1    3   24    4 f   51.064   4.3850   20.983   3.4800   19.473   4.9537   22.454   4.8898   48.383   6.7042   52.261   6.0752 -3.878036 9.047327 
1 1 1    3   24    5 o   15.724   7.2189  -2.5084   4.0579 -10.8647   5.6205   6.5906   5.8649   14.418   7.0923   28.741   10.276 -14.32312 12.48579 
1 1 1    3   24    6 o   16.843   7.1557   0.3661   3.2982   0.6518   4.6397   0.0742   4.6895   19.893   8.4706   19.391   8.3896 0.5021744 11.92211 
1 1 1    3   24    7 o   36.102   6.1208   10.930   3.3440   10.646   4.6693   11.230   4.7911   34.710   8.6133   35.643   8.6535 -0.9334259 12.20955 
1 1 1    3   24    8 o   25.003   7.1788   5.3694   2.9645   9.5322   4.2369   1.3767   4.1494   32.857   8.2342   19.701   8.1747 13.15649 11.60291 
1 1 1    3   24    9 o   9.4054   4.6708  -6.2180   2.6533  -7.0285   3.7741  -5.4260   3.7309   11.971   5.8732   12.741   6.1563 -0.7698040 8.508495 
1 1 1    3   24   10 o   17.171   7.0281   1.2073   3.0119   3.1572   4.1783  -0.9018   4.3455   21.868   8.4960   17.495   7.8017 4.373138 11.53471 
1 1 1    3   24   11 o   13.571   6.0734  -0.8327   2.6581   0.3649   3.7668  -2.0207   3.7515   17.543   7.5542   15.142   6.9477 2.400950 10.26332 
1 1 1    3   24   12 o   21.233   6.9912   3.8058   2.6984   0.0424   3.7913   7.6696   3.8415   17.145   7.4794   29.006   8.1199 -11.86074 11.03961 
1 1 1    3   24   13 f   17.727   6.8175   2.0780   2.6704   0.4714   3.7003   3.8239   3.8575   17.347   7.4788   22.093   8.2630 -4.745743 11.14488 
1 1 1    3   24   14 o   13.394   6.0294  -0.8714   2.6626  -1.5167   3.7414  -0.2091   3.7900   15.340   7.0007   16.692   7.3733 -1.352518 10.16733 
1 1 1    3   24   15 o   26.505   6.4868   6.3106   2.6759   2.0283   3.7835   10.597   3.7851   19.140   7.8604   34.038   7.3048 -14.89714 10.73065 
1 1 1    3   24   16 o   23.552   6.8351   5.0769   2.6741   3.6759   3.8321   6.4066   3.7333   21.317   8.1749   25.881   8.1982 -4.564219 11.57757 
1 1 1    3   24   17 o   16.532   6.6555   1.6620   2.6494   2.6128   3.7838   0.7475   3.7109   19.480   7.9134   17.101   7.4306 2.379818 10.85519 
1 1 1    3   24   18 o   25.200   6.5517   6.0050   2.6147   5.2301   3.7083   6.7712   3.6874   22.997   8.1766   25.746   8.1467 -2.749136 11.54227 
1 1 1    3   24   19 o   14.777   6.5083   0.4481   2.9330   2.5848   4.0470  -1.9160   4.2568   18.722   7.9391   14.958   7.0413 3.764060 10.61178 
1 1 1    3   24   20 o   11.434   5.4142  -1.8751   2.5859   1.3375   3.6641  -5.0629   3.6499   16.436   7.2554   11.697   5.7460 4.739753 9.255098 
1 1 1    3   24   21 o   16.000   6.6328   2.1046   2.7281  -1.9483   3.9014   5.9821   3.8161   13.656   6.5184   21.915   8.2140 -8.258711 10.48611 
1 1 1    3   24   22 o   11.629   5.5156  -1.5556   2.7048  -4.1846   3.8392   1.0355   3.8113   12.070   5.9220   15.519   7.0760 -3.449212 9.227128 
1 1 1    3   24   23 o   14.195   6.3938   0.8810   2.9992  -1.9559   4.1085   4.1178   4.3885   13.422   6.4793   18.250   8.0021 -4.827989 10.29631 
1 1 1    3   24   24 o   10.284   4.9958  -2.2153   2.5428  -2.0595   3.5391  -2.3815   3.6558   12.019   5.8511   11.996   5.8634 0.2261829E-01 8.283410 
1 1 1    3   24   25 o   13.620   6.0429   1.9404   2.5735   3.1736   3.5411   0.5600   3.7464   14.999   6.8319   13.070   6.2781 1.929619 9.278409 
1 1 1    3   25    0 o   34.521   8.8261   11.324   4.1329   11.324   4.1329   11.324   4.1329   34.521   8.8261   34.521   8.8261 0.000000 0.000000 
1 1 1    3   25    1 o   49.968   3.9592   20.080   3.0793   23.058   4.3975   17.214   4.3132   53.057   5.3546   45.432   6.2122 7.624916 8.201448 
1 1 1    3   25    2 o   25.552   7.0830   5.6118   2.9386   2.6309   4.1713   8.5489   4.1405   21.376   8.4343   31.148   8.3151 -9.771952 11.84394 
1 1 1    3   25    3 o   34.789   6.0340   10.177   3.1749   7.3949   4.4922   12.953   4.4877   29.028   8.9633   38.660   7.6679 -9.631531 11.79567 
1 1 1    3   25    4 o   18.012   7.1725   1.6538   3.0427   2.6327   4.2969   0.6694   4.3091   21.500   8.5358   19.148   8.1587 2.351336 11.80778 
1 1 1    3   25    5 o   19.055   7.4163   2.1695   3.1883   4.6166   4.9958   0.4879   4.1413   24.926   9.3864   18.591   7.9616 6.335737 12.30821 
1 1 1    3   25    6 o   40.508   5.3185   13.607   3.2993   18.337   4.6707   8.8959   4.6612   46.514   6.5824   31.344   9.0023 15.16965 11.15211 
1 1 1    3   25    7 o   36.182   5.9827   11.082   3.2784   9.4942   4.6521   12.649   4.6206   32.261   8.9000   37.702   8.0541 -5.441395 12.00329 
1 1 1    3   25    8 o   17.676   7.2174   1.3863   3.1670  -1.7475   4.4845   4.5040   4.4730   16.959   7.7104   23.984   8.9120 -7.024904 11.78442 
1 1 1    3   25    9 o   17.506   7.2055   1.2787   3.1887  -1.5636   4.4826   4.1901   4.5368   17.041   7.7323   23.479   8.9213 -6.437941 11.80589 
1 1 1    3   25   10 o   19.255   7.8116   1.9795   3.6813  -0.4608   5.6182   3.8156   4.8733   19.838   8.8571   23.170   9.1243 -3.332005 12.71615 
1 1 1    3   25   11 o   18.179   7.1198   2.0911   2.9533   2.4933   4.0460   1.6325   4.3206   20.367   8.2156   19.703   8.2708 0.6634541 11.65772 
1 1 1    3   25   12 o   11.735   5.6329  -3.7640   3.0036  -4.4156   4.2305  -3.1017   4.2651   14.235   6.7926   15.182   7.1157 -0.9479485 9.837337 
1 1 1    3   25   13 o   30.062   6.6539   8.1251   3.0560   8.8011   4.3261   7.4517   4.3176   30.160   8.6760   27.804   8.8176 2.356537 12.37020 
1 1 1    3   25   14 o   13.950   6.4092  -1.5273   3.2066   1.7971   4.5166  -4.9055   4.5531   19.725   8.3768   14.436   6.9307 5.289872 10.87225 
1 1 1    3   25   15 o   14.822   6.6357  -0.4613   3.1766  -1.6865   4.5590   0.6948   4.4287   16.405   7.5748   18.233   8.0151 -1.827917 11.02813 
1 1 1    3   25   16 o   29.237   7.3405   8.2597   3.3627   6.8346   4.6107   9.8790   4.9149   25.644   9.1174   30.239   9.3820 -4.594076 13.08240 
1 1 1    3   25   17 o   20.274   7.7043   3.8128   3.3837   4.8043   4.4382   2.4366   5.2289   22.071   8.7026   19.954   8.7423 2.117800 12.33545 
1 1 1    3   25   18 o   19.980   7.2747   4.0068   2.9557   1.5856   3.9725   7.0095   4.4238   17.321   7.6035   24.317   8.8928 -6.996222 11.70024 
1 1 1    3   25   19 o   15.058   6.6477   0.9035   3.0768   6.6662   4.6463  -3.5971   4.1062   22.770   8.9265   13.186   6.3921 9.583992 10.97915 
1 1 1    3   25   20 o   16.925   6.8441   2.7523   2.8157   1.9403   3.9757   3.5695   3.9883   16.698   7.4532   18.412   7.8471 -1.713852 10.82254 
1 1 1    3   25   21 o   11.772   5.5301  -1.0811   2.6014  -1.5008   3.6757  -0.6600   3.6822   13.299   6.3420   13.901   6.5453 -0.6023550 9.113862 
1 1 1    3   25   22 o   9.5770   4.7213  -3.7268   2.5362  -7.0442   3.5654  -0.3288   3.6084   10.154   5.0979   13.763   6.4802 -3.609676 8.245082 
1 1 1    3   25   23 o   9.8912   4.8643  -3.0514   2.6383  -3.2614   3.5130  -2.7797   3.9956   11.262   5.5528   12.120   5.9653 -0.8576851 8.149799 
1 1 1    3   25   24 o   10.953   5.2215  -0.5509   2.4867  -1.2002   3.5073   0.1054   3.5263   11.763   5.7482   12.546   6.0430 -0.7829390 8.340218 
1 1 1    3   26    0 o   10.925   7.4269  -1.7980   3.8651  -1.7980   3.8651  -1.7980   3.8651   10.925   7.4269   10.925   7.4269 -0.000000 0.000000 
1 1 1    3   26    1 o   22.197   7.0728   4.1805   2.7752   1.1109   3.9312   7.2299   3.9183   18.763   7.8835   28.378   8.2848 -9.615156 11.43623 
1 1 1    3   26    2 o   19.648   7.0772   2.9272   2.7876  -1.2801   3.8944   7.3480   3.9920   16.144   7.2774   28.560   8.3692 -12.41607 11.09072 
1 1 1    3   26    3 o   15.184   6.5272   0.1625   2.8030   0.6284   3.9445  -0.3128   3.9840   18.187   7.7789   17.253   7.5926 0.9338608 10.87010 
1 1 1    3   26    4 o   18.613   7.0594   2.3510   2.8375  -0.5290   4.0263   5.1930   3.9996   17.096   7.5732   24.665   8.5119 -7.568411 11.39328 
1 1 1    3   26    5 o   24.446   7.0762   5.2602   2.8695   0.4738   4.0595   10.040   4.0565   18.163   7.8318   33.358   7.8760 -15.19547 11.10717 
1 1 1    3   26    6 o   13.394   6.1672  -1.8111   2.9918  -0.6046   4.2812  -2.9627   4.1828   17.446   7.7640   15.272   7.1211 2.173999 10.53521 
1 1 1    3   26    7 o   14.678   6.6202  -1.0769   3.2278  -0.9714   4.5805  -1.1810   4.5494   17.622   7.9224   17.384   7.8483 0.2379990 11.15173 
1 1 1    3   26    8 f   15.317   6.7303  -0.2130   3.1194  -3.8428   4.4465   3.3049   4.3774   15.120   7.1418   21.838   8.6328 -6.717873 11.20402 
1 1 1    3   26    9 o   25.326   7.4456   5.8308   3.1551   11.121   4.4170   0.3193   4.5085   34.484   8.2690   18.523   8.1165 15.96126 11.58680 
1 1 1    3   26   10 o   43.168   5.8560   16.043   3.8648   13.450   5.1594   19.359   5.8340   37.360   8.9230   45.441   8.4932 -8.081650 12.31891 
1 1 1    3   26   11 o   28.613   6.8352   7.4489   3.0270   8.6180   4.2515   6.2470   4.3106   29.797   8.6099   25.705   8.8381 4.092026 12.33863 
1 1 1    3   26   12 o   20.259   7.1249   3.5214   2.8095   6.0037   3.9352   0.9407   4.0124   25.116   8.4473   18.024   7.7792 7.091709 11.48361 
1 1 1    3   26   13 o   17.534   6.9329   2.0826   2.8238  -4.2287   3.9709   8.5395   4.0164   13.523   6.4873   29.356   8.3324 -15.83329 10.56003 
1 1 1    3   26   14 o   15.839   6.6547   1.0961   2.8009   0.3281   3.9817   1.8484   3.9408   16.975   7.5247   18.555   7.8498 -1.580307 10.87387 
1 1 1    3   26   15 o   17.211   6.8654   2.1448   2.7926   0.0387   3.9685   4.2106   3.9303   16.408   7.3757   21.280   8.2476 -4.871576 11.06455 
1 1 1    3   26   16 o   13.280   6.0458  -0.5729   2.7684   0.8757   3.9078  -2.0326   3.9226   16.689   7.4230   14.274   6.7317 2.414286 10.02087 
1 1 1    3   26   17 o   17.393   6.9957   2.6495   2.9244   6.8402   4.1975  -1.3034   4.0767   23.727   8.6646   14.718   6.9165 9.009266 11.08659 
1 1 1    3   26   18 o   11.366   5.4812  -2.7440   2.9214  -5.6579   4.1101   0.2312   4.1531   12.040   5.9494   15.581   7.2069 -3.541213 9.345333 
1 1 1    3   26   19 o   15.788   6.7182   2.0309   2.9152   1.6688   4.1315   2.3900   4.1139   16.372   7.4265   17.015   7.5893 -0.6439075 10.61836 
1 1 1    3   26   20 o   20.010   7.2629   4.8546   2.9429   5.2172   4.1314   4.4811   4.1931   19.682   8.1611   18.809   8.0322 0.8729973 11.45071 
1 1 1    3   26   21 o   11.847   5.6318  -1.2191   2.8517  -1.8755   4.0768  -0.5903   3.9903   13.183   6.3856   13.854   6.6072 -0.6715355 9.188644 
1 1 1    3   26   22 o   12.905   5.9337   0.7875   2.7565   3.3878   3.9002  -1.8076   3.8963   15.838   7.1968   12.311   6.0250 3.526680 9.385816 
1 1 1    3   26   23 o   9.8446   4.8453  -2.4003   2.6348  -6.4666   3.8479   1.1894   3.6154   9.9473   5.0313   13.175   6.2849 -3.227542 8.050696 
1 1 1    3   27    0 f   16.988   10.493   2.6375   5.5026   2.6375   5.5026   2.6375   5.5026   16.988   10.493   16.988   10.493 0.000000 0.000000 
1 1 1    3   27    1 o   14.845   6.7860  -1.6208   3.5344  -2.1845   5.0031  -1.0591   4.9938   17.375   7.9910   18.230   8.2272 -0.8552361 11.46919 
1 1 1    3   27    2 o   22.530   7.6618   4.3745   3.2377   3.7154   4.5633   5.0426   4.5944   22.575   8.8476   24.431   9.0406 -1.855597 12.64960 
1 1 1    3   27    3 f   38.586   5.7428   12.728   3.3716   12.488   4.6765   12.987   4.8655   36.664   8.3193   37.282   8.5048 -0.6187325 11.89717 
1 1 1    3   27    4 o   17.684   7.2495   1.5120   3.2111   0.1118   4.4924   2.9747   4.5915   18.320   8.0623   21.582   8.7354 -3.262398 11.88727 
1 1 1    3   27    5 o   24.461   7.5613   5.4214   3.1958   4.9081   4.4734   5.9563   4.5670   24.002   8.9136   25.607   9.0771 -1.605206 12.72183 
1 1 1    3   27    6 o   12.161   5.7808  -3.1591   3.0036  -6.8686   4.2475   0.5511   4.2479   12.887   6.3032   18.249   7.9396 -5.362404 10.13750 
1 1 1    3   27    7 o   21.008   7.3912   3.7512   3.0236   1.7733   4.2700   5.7404   4.2821   19.539   8.2133   24.997   8.7958 -5.457895 12.03427 
1 1 1    3   27    8 o   23.868   7.2953   5.2252   2.9852   1.9219   4.2537   8.4310   4.1905   19.590   8.2138   29.476   8.5570 -9.885345 11.86127 
1 1 1    3   27    9 o   16.058   6.8747   0.6577   3.0858   1.7774   4.3195  -0.5095   4.4099   19.419   8.2169   17.281   7.7711 2.137558 11.30963 
1 1 1    3   27   10 f   19.278   7.3812   2.8747   3.1208   3.7524   4.1843   1.7744   4.6849   21.584   8.4684   19.756   8.4646 1.828243 11.97340 
1 1 1    3   27   11 o   15.658   6.6548   0.8389   2.8543   4.0433   4.0551  -2.3074   4.0182   21.669   8.3832   14.867   6.9480 6.801380 10.88824 
1 1 1    3   27   12 o   21.061   7.1878   4.1215   2.8499   4.0517   4.0035   4.1933   4.0577   21.409   8.3167   21.640   8.3821 -0.2315884 11.80796 
1 1 1    3   27   13 o   14.807   6.4590   0.4345   2.8270   0.6255   3.9470   0.2334   4.0509   16.923   7.4973   16.700   7.4837 0.2227421 10.59315 
1 1 1    3   27   14 o   23.764   7.0514   5.7319   2.8191   8.9244   3.9370   2.3724   4.0387   28.508   8.2994   18.442   7.8793 10.06604 11.44394 
1 1 1    3   27   15 o   17.057   6.8397   2.4617   2.7863   0.6908   3.9165   4.2766   3.9649   16.184   7.2965   20.245   8.1447 -4.060839 10.93503 
1 1 1    3   27   16 o   13.997   6.2253   0.5010   2.7481   0.2243   3.8723   0.7818   3.9007   15.338   7.0456   15.856   7.2018 -0.5171461 10.07501 
1 1 1    3   27   17 o   18.701   6.9587   3.8447   2.7290   9.3346   3.8474  -1.7140   3.8714   27.189   8.2764   13.594   6.4898 13.59579 10.51747 
1 1 1    3   27   18 o   11.737   5.5406  -1.2382   2.6696  -1.6326   3.7872  -0.8488   3.7636   13.317   6.3743   13.812   6.5377 -0.4953308 9.130929 
1 1 1    3   27   19 o   18.589   7.3057   4.2548   3.1187   4.7255   4.4217   3.7889   4.3994   18.711   8.1208   17.798   7.8987 0.9125423 11.32857 
1 1 1    3   27   20 o   16.327   6.6161   3.0956   2.6374   1.5621   3.7639   4.5749   3.6968   14.945   6.8942   17.990   7.6064 -3.044962 10.26582 
1 1 1    3   27   21 o   9.3574   4.6357  -3.3384   2.5537  -1.4584   3.5977  -5.2477   3.6255   11.944   5.8331   10.286   5.1610 1.657417 7.788540 
1 1 1    3   27   22 f   16.114   6.5777   4.0562   2.6294   2.2813   3.7585   5.7577   3.6799   13.779   6.5252   16.887   7.3678 -3.108888 9.841920 
1 1 1    3   28    0 o   8.3025   5.9828  -6.4174   3.8989  -6.4174   3.8989  -6.4174   3.8989   8.3025   5.9828   8.3025   5.9828 -0.000000 0.000000 
1 1 1    3   28    1 o   14.749   6.4391   0.0404   2.8144   6.4782   4.0093  -6.2136   3.9517   26.088   8.5180   12.500   6.1067 13.58810 10.48080 
1 1 1    3   28    2 o   20.640   7.2032   3.6589   2.8680   3.2613   4.0942   4.0419   4.0189   21.068   8.3424   22.110   8.3978 -1.042154 11.83713 
1 1 1    3   28    3 o   8.9916   4.5123  -7.5488   2.7769 -10.7686   3.9324  -4.3464   3.9217   10.537   5.2989   13.470   6.4581 -2.933022 8.353764 
1 1 1    3   28    4 o   22.893   7.3560   4.7924   2.9972   7.7671   4.2149   1.7497   4.2628   28.146   8.6807   19.319   8.1682 8.826473 11.91951 
1 1 1    3   28    5 o   13.496   6.2452  -1.7773   3.1234  -0.0128   4.7605  -3.1110   4.1389   18.250   8.1502   14.697   6.9259 3.553034 10.69553 
1 1 1    3   28    6 o   10.996   5.3362  -4.1838   2.8805  -3.8615   4.0478  -4.5144   4.0998   13.967   6.6592   13.671   6.5670 0.2960052 9.352542 
1 1 1    3   28    7 o   16.216   6.7993   1.1152   2.9149   3.3291   4.1813  -0.9780   4.0657   20.913   8.3811   16.096   7.3273 4.816851 11.13248 
1 1 1    3   28    8 o   17.242   6.9549   1.8879   2.8996   4.2437   4.1196  -0.4248   4.0818   21.950   8.4609   16.508   7.4452 5.441765 11.27023 
1 1 1    3   28    9 o   21.412   7.2714   4.2845   2.9160   3.6339   4.1256   4.9340   4.1222   20.935   8.3468   22.773   8.5368 -1.838116 11.93926 
1 1 1    3   28   10 o   14.413   6.4910  -0.4324   3.0899  -0.3115   4.1702  -0.5797   4.6010   16.488   7.4721   16.927   7.7394 -0.4386692 10.75785 
1 1 1    3   28   11 o   10.882   5.2834  -3.7937   2.8328  -5.7117   3.9569  -1.7772   4.0573   12.318   6.0375   14.901   6.9697 -2.582681 9.221065 
1 1 1    3   28   12 o   11.774   5.6041  -2.3853   2.8417  -4.2025   3.9246  -0.3826   4.1200   12.861   6.2383   15.783   7.2561 -2.921282 9.569069 
1 1 1    3   28   13 o   15.519   6.7086   1.2505   2.9932   0.1674   4.2164   2.3509   4.2498   16.045   7.3633   18.061   7.8980 -2.016161 10.79795 
1 1 1    3   28   14 o   14.419   6.4486   0.5432   2.9913   1.2662   4.2110  -0.1932   4.2499   16.584   7.5128   15.452   7.1962 1.131610 10.40322 
1 1 1    3   28   15 o   10.094   4.9876  -4.5732   2.8865  -8.9490   4.0309   0.0322   4.1354   10.543   5.3099   15.158   7.0723 -4.615357 8.843734 
1 1 1    3   28   16 o   20.464   7.5027   5.1748   3.1519   4.9482   4.4621   5.4004   4.4527   19.387   8.2825   19.885   8.3746 -0.4980450 11.77856 
1 1 1    3   28   17 o   30.556   7.2453   10.860   3.4212   7.9735   5.0171   13.369   4.6774   21.875   9.0245   30.399   9.0980 -8.524607 12.81463 
1 1 1    3   28   18 o   14.529   6.5980   1.2429   3.2720   3.8858   4.4452  -1.8820   4.8336   17.459   7.8306   13.922   6.7910 3.537118 10.36512 
1 1 1    3   28   19 o   11.680   5.6987  -2.0710   3.4087  -0.8283   4.4728  -3.7927   5.2648   13.443   6.5521   12.872   6.4225 0.5714626 9.174849 
1 1 1    3   28   20 o   12.687   5.9688   0.8470   3.0513  -2.3568   4.2487   4.2595   4.3849   11.880   5.9016   15.486   7.2440 -3.605854 9.343715 
1 1 1    3   29    0 o   9.2073   6.5481  -4.8315   4.0822  -4.8315   4.0822  -4.8315   4.0822   9.2073   6.5481   9.2073   6.5481 0.000000 0.000000 
1 1 1    3   29    1 o   11.068   5.3615  -3.9495   2.8742  -2.6350   4.0514  -5.2815   4.0782   14.672   6.8952   13.073   6.3454 1.598939 9.370524 
1 1 1    3   29    2 o   16.531   6.8394   1.4349   2.8929  -9.9834   4.0616   13.193   4.1215   10.962   5.4948   37.397   7.2849 -26.43507 9.124837 
1 1 1    3   29    3 o   16.941   6.9176   1.7158   2.9095   4.0806   4.0781  -0.7357   4.1522   21.596   8.3927   16.295   7.4126 5.301844 11.19749 
1 1 1    3   29    4 o   17.835   7.0801   2.2781   2.9559   5.1899   4.1413  -0.7458   4.2203   23.170   8.5816   16.356   7.4530 6.814865 11.36628 
1 1 1    3   29    5 o   20.532   7.7952   3.7179   3.4620   3.8227   4.8949   3.6130   4.8970   21.614   8.9152   21.381   8.8770 0.2335987 12.58099 
1 1 1    3   29    6 o   11.582   5.5599  -3.2564   2.9284  -4.0634   4.1555  -2.4603   4.1274   13.751   6.6069   14.732   6.9344 -0.9811144 9.577900 
1 1 1    3   29    7 o   14.352   6.4167  -0.1654   2.9595  -0.6505   4.2093   0.3088   4.1618   16.144   7.3895   16.907   7.5803 -0.7631397 10.58613 
1 1 1    3   29    8 o   15.224   6.7377   0.3596   3.1797   7.8232   4.5515  -6.7560   4.4441   26.200   9.0783   12.724   6.2683 13.47611 11.03213 
1 1 1    3   29    9 o   16.637   7.0199   1.7533   3.1381   0.8212   4.4063   2.7126   4.4702   17.184   7.7441   19.046   8.2157 -1.862349 11.29023 
1 1 1    3   29   10 f   14.347   6.6087  -0.5831   3.4400   0.7409   4.6808  -2.1379   5.0727   17.109   7.8165   15.629   7.4526 1.479891 10.79995 
1 1 1    3   29   11 o   16.374   7.0440   1.8128   3.2691   2.9777   4.5693   0.5913   4.6790   18.615   8.1635   16.669   7.6886 1.945692 11.21417 
1 1 1    3   29   12 o   16.086   6.8642   1.9647   3.0583  -0.1632   4.2734   4.1989   4.3788   15.361   7.1744   19.360   8.2357 -3.998486 10.92244 
1 1 1    3   29   13 o   18.476   7.2713   3.8250   3.0932   2.9432   4.3855   4.6979   4.3635   17.664   7.8598   19.442   8.2440 -1.777649 11.39036 
1 1 1    3   29   14 o   11.359   5.4525  -2.0620   2.8150   3.4727   4.0975  -7.0091   3.8739   17.755   7.7599   10.801   5.4072 6.953985 9.458052 
1 1 1    3   29   15 o   18.855   7.1539   4.3280   2.9147   9.3492   3.9970  -1.3741   4.2594   25.638   8.5113   13.869   6.6701 11.76963 10.81357 
1 1 1    3   29   16 o   12.243   5.7168  -0.4472   2.7113   1.8136   3.8512  -2.6690   3.8179   15.507   7.0868   12.394   6.0433 3.113712 9.313671 
1 1 1    3   29   17 o   17.370   6.8266   3.9064   2.7231   1.4167   3.8720   6.3429   3.8305   14.645   6.8364   19.736   7.9821 -5.090364 10.50952 
1 1 1    3   29   18 o   19.324   7.4331   6.2195   3.1748   8.8122   4.5402   3.7385   4.4412   19.769   8.3971   15.437   7.2432 4.332417 11.08942 
1 1 1    3   29   19 o   15.617   6.5179   3.8448   2.6601  -0.0404   3.6877   8.0593   3.8408   12.200   5.9469   19.086   7.8871 -6.885370 9.877909 
1 1 1    3   30    0 o   13.933   9.3529   0.0468   5.7628   0.0468   5.7628   0.0468   5.7628   13.933   9.3529   13.933   9.3529 -0.000000 0.000000 
1 1 1    3   30    1 o   18.036   7.8249   1.7510   4.1023   3.8885   5.8183  -0.3622   5.7850   21.438   9.3098   18.178   8.4419 3.259666 12.56731 
1 1 1    3   30    2 o   13.311   6.3999  -3.6328   3.9140  -5.3369   5.7368  -2.1489   5.3534   15.372   7.4759   16.498   7.8057 -1.126284 10.80819 
1 1 1    3   30    3 o   19.821   8.0224   3.5478   3.8725   5.1960   5.3826   1.7794   5.5756   22.294   9.2856   19.304   8.7045 2.989410 12.72751 
1 1 1    3   30    4 o   19.155   7.6354   3.3411   3.4516   0.8868   4.3996   7.2694   5.5660   17.258   7.7611   24.302   9.6930 -7.043997 12.41735 
1 1 1    3   30    5 o   13.273   6.2149  -1.5307   3.2409  -5.0786   4.2986   3.1421   4.9332   13.015   6.3608   19.608   8.5431 -6.592632 10.65105 
1 1 1    3   30    6 o   19.264   7.2802   3.7153   3.0114   4.9010   4.1946   2.4543   4.3258   21.099   8.4150   18.309   7.9882 2.790428 11.60273 
1 1 1    3   30    7 o   15.749   6.7614   1.4863   3.0007   1.7322   4.2148   1.2336   4.2730   17.305   7.7024   16.905   7.6214 0.4004154 10.83575 
1 1 1    3   30    8 o   18.898   7.2240   3.7435   2.9861   3.5069   4.2244   3.9798   4.2215   18.844   8.0549   19.375   8.1566 -0.5308666 11.46353 
1 1 1    3   30    9 o   15.074   6.5791   1.2901   2.9364   5.8034   4.2283  -2.9142   4.0811   21.269   8.4598   13.303   6.4306 7.965542 10.62645 
1 1 1    3   30   10 o   10.541   5.1969  -4.4496   3.0758  -4.8695   4.0938  -3.9053   4.6606   12.180   6.0034   13.440   6.5800 -1.259890 8.907147 
1 1 1    3   30   11 o   13.943   6.2625   0.7027   2.8546   0.1562   3.9800   1.2815   4.0965   14.799   6.9156   15.790   7.2507 -0.9916143 10.01990 
1 1 1    3   30   12 o   9.8469   4.8826  -4.6112   2.8573  -4.0575   4.0991  -5.1344   3.9850   12.304   6.0535   11.653   5.7763 0.6508923 8.367167 
1 1 1    3   30   13 o   14.119   6.3060   1.1043   2.8505   4.7880   4.0900  -2.3748   3.9748   18.712   7.9598   12.869   6.2505 5.842497 10.12062 
1 1 1    3   30   14 o   12.174   5.7273  -0.6482   2.8085   0.7140   4.0020  -1.9701   3.9423   14.647   6.8736   12.876   6.2469 1.771056 9.288203 
1 1 1    3   30   15 o   11.806   5.5909  -0.7017   2.7589  -1.4163   4.0108  -0.0598   3.8009   12.930   6.2797   13.538   6.4542 -0.6079607 9.005054 
1 1 1    3   30   16 o   17.459   6.8753   4.5297   2.7671   6.8704   3.9316   2.2322   3.8951   18.872   7.9035   14.455   6.7829 4.416209 10.41509 
1 1 1    3   30   17 o   17.248   6.9891   5.1567   2.9430   9.5812   4.2462   1.0665   4.0826   20.022   8.2851   13.073   6.3461 6.948108 10.43634 
1 1 1    3   31    0 o   16.600   9.7599   4.4270   4.3060   4.4270   4.3060   4.4270   4.3060   16.600   9.7599   16.600   9.7599 0.000000 0.000000 
1 1 1    3   31    1 o   17.943   7.1030   3.2045   2.9673   2.3412   4.2206   4.0483   4.1726   17.560   7.7675   19.358   8.1269 -1.797804 11.24193 
1 1 1    3   31    2 o   24.452   7.3037   6.6992   3.0166   3.9257   4.2616   9.4846   4.2707   19.173   8.1393   27.087   8.7875 -7.914213 11.97778 
1 1 1    3   31    3 f   14.503   6.4779   0.6780   3.0087   0.4435   4.2603   0.9113   4.2495   15.822   7.3116   16.184   7.4141 -0.3617716 10.41283 
1 1 1    3   31    4 f   14.086   6.5439  -0.4044   3.4806  -0.9791   4.8748   0.1931   4.9712   15.405   7.3346   16.222   7.6277 -0.8162336 10.58198 
1 1 1    3   31    5 o   11.792   5.6545  -2.2292   3.0092  -3.5187   4.1959  -0.8634   4.3182   13.041   6.3536   14.748   6.9874 -1.707617 9.444155 
1 1 1    3   31    6 o   14.660   6.4926   1.1096   2.9577   0.5216   4.2217   1.6764   4.1450   15.484   7.1979   16.351   7.4257 -0.8672752 10.34171 
1 1 1    3   31    7 o   12.953   6.0222  -0.4592   2.9568   3.0647   4.2041  -3.9083   4.1593   17.463   7.7372   12.600   6.1784 4.863366 9.901358 
1 1 1    3   31    8 o   12.157   5.7703  -1.3392   2.9717  -2.1466   4.1827  -0.5162   4.2230   13.438   6.4992   14.465   6.8696 -1.027026 9.456809 
1 1 1    3   31    9 o   11.752   5.6582  -2.0646   3.0843   0.5200   4.2018  -5.0838   4.5415   15.005   7.0420   12.415   6.1560 2.589572 9.353369 
1 1 1    3   31   10 o   12.532   6.0184  -1.6401   3.4393  -3.8124   4.8035   0.6450   4.9267   13.153   6.4865   15.479   7.3706 -2.326126 9.818423 
1 1 1    3   31   11 o   11.663   5.7154  -3.2236   3.5413  -1.9277   4.9846  -4.5441   5.0319   14.020   6.8514   12.986   6.4461 1.034159 9.407129 
1 1 1    3   31   12 o   15.665   7.0104   2.4930   3.5417   1.2580   5.1028   3.6409   4.9197   15.425   7.3875   16.868   7.8166 -1.443034 10.75522 
1 1 1    3   31   13 o   13.727   6.3935   0.9843   3.3557   1.0933   4.6315   0.8639   4.8688   14.573   6.9949   14.559   7.0344 0.1349449E-01 9.920306 
1 1 1    3   31   14 o   16.965   7.1611   4.7894   3.2677   10.729   4.6982  -0.7769   4.5480   21.380   8.7673   12.902   6.3532 8.477548 10.82723 
1 1 1    3   31   15 o   11.630   5.5946  -0.0857   3.0005   1.5742   4.3153  -1.6393   4.1748   13.332   6.4839   11.786   5.8541 1.546144 8.735641 
1 1 1    3   32    0 o   12.689   8.7945  -0.0904   6.0551  -0.0904   6.0551  -0.0904   6.0551   12.689   8.7945   12.689   8.7945 -0.000000 0.000000 
1 1 1    3   32    1 o   11.843   5.8203  -3.9035   3.7564  -3.1370   5.2874  -4.6846   5.3376   14.095   6.9224   13.534   6.7041 0.5609102 9.636683 
1 1 1    3   32    2 o   11.858   5.7675  -2.8245   3.4171  -1.3020   4.8367  -4.3418   4.8283   14.496   7.0058   13.084   6.4623 1.412184 9.531175 
1 1 1    3   32    3 o   18.532   7.6056   4.3903   3.5391   2.3652   4.9670   6.4787   5.0439   16.738   7.7897   20.103   8.6993 -3.365021 11.67724 
1 1 1    3   32    4 f   15.909   7.1883   2.0863   3.8254   3.3465   5.9437   1.1951   4.9983   17.521   8.2701   15.911   7.5322 1.610012 11.18613 
1 1 1    3   32    5 o   14.987   6.7039   1.6216   3.2347  -0.2993   4.5232   3.6321   4.6276   14.593   6.9802   17.421   7.8854 -2.827403 10.53105 
1 1 1    3   32    6 o   9.7303   4.8496  -5.1158   2.9671  -4.7320   4.2036  -5.4969   4.1886   11.961   5.9294   11.632   5.7919 0.3286066 8.288750 
1 1 1    3   32    7 o   18.992   7.2433   4.7012   2.9975   4.5229   4.2790   4.8730   4.2004   18.011   7.8993   18.397   7.9499 -0.3862476 11.20711 
1 1 1    3   32    8 o   11.684   5.6071  -1.5358   2.9725  -3.3322   4.2281   0.2199   4.1799   12.452   6.1303   14.329   6.8134 -1.877051 9.165294 
1 1 1    3   32    9 o   12.407   5.8335  -0.3140   2.9060   1.4837   4.1421  -2.0565   4.0780   14.955   7.0102   12.744   6.2211 2.211164 9.372570 
1 1 1    3   32   10 o   14.955   6.5446   2.4288   2.9229   9.0493   4.1615  -4.0172   4.1063   22.382   8.5349   11.656   5.7924 10.72566 10.31484 
1 1 1    3   32   11 o   12.674   5.8950   0.7362   2.8383  -0.1040   4.0369   1.5576   3.9915   13.047   6.3281   14.027   6.6665 -0.9795923 9.191699 
1 1 1    3   32   12 o   12.251   5.7595   0.7258   2.8319   3.2908   4.0205  -1.7998   3.9895   14.589   6.8601   11.728   5.8073 2.861307 8.988104 
1 1 1    3   32   13 f   9.8209   4.8622  -2.4348   2.7926 -10.4326   3.9454   5.5952   3.9534   8.8384   4.5258   15.806   7.2068 -6.967644 8.510060 
1 1 1    3   33    0 o   9.6566   6.8206  -2.2476   4.1739  -2.2476   4.1739  -2.2476   4.1739   9.6566   6.8206   9.6566   6.8206 -0.000000 0.000000 
1 1 1    3   33    1 o   14.022   6.3221   1.2947   2.9403   1.9451   4.1268   0.6241   4.1903   15.366   7.1340   14.465   6.8621 0.9008322 9.898598 
1 1 1    3   33    2 o   10.215   5.0401  -3.6126   2.9109  -4.7479   4.0706  -2.4244   4.1644   11.536   5.7383   12.682   6.2109 -1.145527 8.455962 
1 1 1    3   33    3 o   13.612   6.2209   0.9428   2.9682   5.0668   4.2725  -2.9047   4.1267   17.974   7.8878   12.365   6.0816 5.608212 9.960077 
1 1 1    3   33    4 o   13.446   6.1734   0.8466   2.9680   0.4469   4.1984   1.2460   4.1965   14.170   6.7631   14.689   6.9380 -0.5190678 9.688921 
1 1 1    3   33    5 o   11.133   5.3940  -1.8418   2.9138  -5.8376   4.1768   1.9465   4.0670   11.099   5.5647   14.964   6.9922 -3.865189 8.936237 
1 1 1    3   33    6 o   12.697   5.9210   0.4125   2.8922  -0.7275   4.0965   1.5455   4.0838   13.073   6.3483   14.446   6.8294 -1.372919 9.324255 
1 1 1    3   33    7 o   11.816   5.6557  -0.5378   2.9810  -9.4158   4.1955   8.5139   4.2364   9.8070   4.9905   20.379   8.3375 -10.57198 9.716943 
1 1 1    3   33    8 o   12.345   5.8819   0.3221   3.1465   0.2843   4.4223   0.3608   4.4779   13.148   6.4313   13.212   6.4643 -0.6334591E-01 9.118577 
1 1 1    3   33    9 o   9.6672   4.8320  -3.7973   3.0388  -0.4778   4.2939  -7.1282   4.3013   12.374   6.1081   10.144   5.1510 2.229720 7.990130 
1 1 1    3   33   10 o   10.002   4.9792  -2.8145   3.0883  -6.1945   4.3134   0.7408   4.4238   10.204   5.1790   12.627   6.2270 -2.423573 8.099257 
1 1 1    3   33   11 o   10.706   5.2577  -1.0169   3.0487  -2.5654   4.3260   0.5110   4.2971   11.097   5.5776   12.223   6.0477 -1.125511 8.227076 
1 1 1    3   34    0 o   8.3321   6.0257  -3.9734   4.1289  -3.9734   4.1289  -3.9734   4.1289   8.3321   6.0257   8.3321   6.0257 0.000000 0.000000 
1 1 1    3   34    1 o   14.129   6.3756   2.6762   2.9976  -1.6035   4.1451   7.3681   4.3402   11.904   5.8988   17.632   7.8339 -5.727835 9.806383 
1 1 1    3   34    2 o   12.130   5.7522   0.5810   2.9390   3.3543   4.1391  -2.2394   4.1740   14.471   6.8514   11.613   5.7821 2.857778 8.965189 
1 1 1    3   34    3 f   11.431   5.5170  -0.3173   2.9743   1.0021   4.2276  -1.6105   4.1854   12.990   6.3398   11.788   5.8560 1.202630 8.630463 
1 1 1    3   34    4 o   11.907   5.6851   0.4941   2.9715  -0.3168   4.2043   1.3035   4.2005   12.232   6.0392   12.998   6.3380 -0.7658920 8.754540 
1 1 1    3   34    5 o   9.1703   4.6025  -4.1047   2.8940  -3.3267   4.0959  -4.8803   4.0894   10.858   5.4531   10.356   5.2320 0.5021200 7.557154 
1 1 1    3   34    6 o   11.412   5.4929   0.2533   2.9018   0.6229   4.1381  -0.1042   4.0701   12.285   6.0514   11.931   5.9003 0.3535423 8.451766 
1 1 1    3   34    7 o   10.319   5.0835  -1.3789   2.9222  -3.7625   4.0813   1.1285   4.1860   10.467   5.2807   12.370   6.0917 -1.902448 8.061940 
1 1 1    4    0    0 o  1949.57   14.361 29868.46  439.327 29868.46  439.327 29868.46  439.327  1949.57   14.361  1949.57   14.361 0.000000 0.000000 
1 1 1    4    0    1 o  120.089   2.0839  113.266   3.9245  113.266   3.9245  113.266   3.9245  120.089   2.0839  120.089   2.0839 -0.000000 0.000000 
1 1 1    4    0    2 o  214.819   2.1567  362.228   7.2690  362.228   7.2690  362.228   7.2690  214.819   2.1567  214.819   2.1567 0.000000 0.000000 
1 1 1    4    0    3 o  426.324   2.5441  1426.39   17.020  1426.39   17.020  1426.39   17.020  426.324   2.5441  426.324   2.5441 -0.000000 0.000000 
1 1 1    4    0    4 o  545.276   3.5733  2333.67   30.573  2333.67   30.573  2333.67   30.573  545.276   3.5733  545.276   3.5733 -0.000000 0.000000 
1 1 1    4    0    5 o  748.828   4.3514  4401.55   51.131  4401.55   51.131  4401.55   51.131  748.828   4.3514  748.828   4.3514 -0.000000 0.000000 
1 1 1    4    0    6 o  108.544   2.4199   92.592   4.1173   92.592   4.1173   92.592   4.1173  108.544   2.4199  108.544   2.4199 0.000000 0.000000 
1 1 1    4    0    7 o  388.213   2.7427  1182.90   16.707  1182.90   16.707  1182.90   16.707  388.213   2.7427  388.213   2.7427 0.000000 0.000000 
1 1 1    4    0    8 o  131.320   1.7531  135.395   3.6113  135.395   3.6113  135.395   3.6113  131.320   1.7531  131.320   1.7531 -0.000000 0.000000 
1 1 1    4    0    9 o  101.107   2.4759   80.370   3.9231   80.370   3.9231   80.370   3.9231  101.107   2.4759  101.107   2.4759 -0.000000 0.000000 
1 1 1    4    0   10 o  325.780   2.4409  833.044   12.477  833.044   12.477  833.044   12.477  325.780   2.4409  325.780   2.4409 0.000000 0.000000 
1 1 1    4    0   11 o  127.710   1.5642  128.039   3.1337  128.039   3.1337  128.039   3.1337  127.710   1.5642  127.710   1.5642 0.000000 0.000000 
1 1 1    4    0   12 o  138.296   1.7115  150.146   3.7131  150.146   3.7131  150.146   3.7131  138.296   1.7115  138.296   1.7115 0.000000 0.000000 
1 1 1    4    0   13 o  638.405   3.5420  3198.85   35.483  3198.85   35.483  3198.85   35.483  638.405   3.5420  638.405   3.5420 -0.000000 0.000000 
1 1 1    4    0   14 f  106.809   2.2624   89.643   3.7882   89.643   3.7882   89.643   3.7882  106.809   2.2624  106.809   2.2624 0.000000 0.000000 
1 1 1    4    0   15 o  279.577   1.9548  613.449   8.5754  613.449   8.5754  613.449   8.5754  279.577   1.9548  279.577   1.9548 -0.000000 0.000000 
1 1 1    4    0   16 o  231.795   2.0732  421.731   7.5402  421.731   7.5402  421.731   7.5402  231.795   2.0732  231.795   2.0732 0.000000 0.000000 
1 1 1    4    0   17 o   81.857   1.7812   52.657   2.2857   52.657   2.2857   52.657   2.2857   81.857   1.7812   81.857   1.7812 -0.000000 0.000000 
1 1 1    4    0   18 o   57.122   1.9706   25.700   1.7617   25.700   1.7617   25.700   1.7617   57.122   1.9706   57.122   1.9706 -0.000000 0.000000 
1 1 1    4    0   19 f  102.817   1.8513   83.057   2.9850   83.057   2.9850   83.057   2.9850  102.817   1.8513  102.817   1.8513 0.000000 0.000000 
1 1 1    4    0   20 o  124.106   2.3929  121.081   4.6566  121.081   4.6566  121.081   4.6566  124.106   2.3929  124.106   2.3929 0.000000 0.000000 
1 1 1    4    0   21 o   20.035   7.6709   4.3089   2.2764   4.3089   2.2764   4.3089   2.2764   20.035   7.6709   20.035   7.6709 0.000000 0.000000 
1 1 1    4    0   22 o  165.758   2.4322  216.012   6.3237  216.012   6.3237  216.012   6.3237  165.758   2.4322  165.758   2.4322 -0.000000 0.000000 
1 1 1    4    0   23 o   58.615   3.2040   27.275   2.9269   27.275   2.9269   27.275   2.9269   58.615   3.2040   58.615   3.2040 0.000000 0.000000 
1 1 1    4    0   24 o   66.863   2.9416   35.387   3.0729   35.387   3.0729   35.387   3.0729   66.863   2.9416   66.863   2.9416 -0.000000 0.000000 
1 1 1    4    0   25 o   19.436   7.8259   4.1941   2.3248   4.1941   2.3248   4.1941   2.3248   19.436   7.8259   19.436   7.8259 -0.000000 0.000000 
1 1 1    4    0   26 o   57.517   4.4317   26.718   3.9440   26.718   3.9440   26.718   3.9440   57.517   4.4317   57.517   4.4317 -0.000000 0.000000 
1 1 1    4    0   27 o   13.040   8.0185   1.2736   3.1799   1.2736   3.1799   1.2736   3.1799   13.040   8.0185   13.040   8.0185 0.000000 0.000000 
1 1 1    4    0   28 o   12.976   7.9839   1.3045   3.1572   1.3045   3.1572   1.3045   3.1572   12.976   7.9839   12.976   7.9839 -0.000000 0.000000 
1 1 1    4    0   29 o   40.845   3.8956   13.662   2.4416   13.662   2.4416   13.662   2.4416   40.845   3.8956   40.845   3.8956 0.000000 0.000000 
1 1 1    4    0   30 o   9.7834   6.1326   0.5686   1.9512   0.5686   1.9512   0.5686   1.9512   9.7834   6.1326   9.7834   6.1326 0.000000 0.000000 
1 1 1    4    0   31 o   10.177   6.0897   1.0377   1.7312   1.0377   1.7312   1.0377   1.7312   10.177   6.0897   10.177   6.0897 0.000000 0.000000 
1 1 1    4    0   32 f   14.402   6.7211   2.6313   1.6924   2.6313   1.6924   2.6313   1.6924   14.402   6.7211   14.402   6.7211 0.000000 0.000000 
1 1 1    4    1    0 o   60.841   2.1770   29.158   2.0725   29.158   2.0725   29.158   2.0725   60.841   2.1770   60.841   2.1770 -0.000000 0.000000 
1 1 1    4    1    1 o  756.596   2.9038  4492.63   34.478  4511.30   48.974  4474.29   48.548  758.081   4.1167  754.966   4.0976 3.114441 5.808393 
1 1 1    4    1    2 o  499.240   2.0319  1955.89   15.919  1968.87   22.658  1943.23   22.371  500.867   2.8826  497.596   2.8649 3.271606 4.064132 
1 1 1    4    1    3 o  279.548   1.3668  613.211   5.9959  602.345   8.3743  624.641   8.5886  277.053   1.9261  282.134   1.9398 -5.080933 2.733640 
1 1 1    4    1    4 o  454.697   2.0188  1622.44   14.405  1607.92   20.205  1637.46   20.543  452.632   2.8446  456.771   2.8659 -4.138977 4.037937 
1 1 1    4    1    5 o  375.553   1.8230  1106.78   10.744  1088.61   15.574  1123.28   14.840  372.436   2.6647  378.326   2.4996 -5.889435 3.653566 
1 1 1    4    1    6 f  172.677   1.4203  233.979   3.8489  229.152   4.9279  241.530   6.1632  170.883   1.8376  175.433   2.2386 -4.549911 2.896286 
1 1 1    4    1    7 o  407.293   2.0100  1301.85   12.847  1299.51   18.133  1304.21   18.204  406.892   2.8398  407.628   2.8457 -0.7362366 4.020248 
1 1 1    4    1    8 o   49.457   1.4737   19.212   1.1425   19.075   1.6122   19.349   1.6192   49.256   2.0905   49.609   2.0845 -0.3539581 2.952203 
1 1 1    4    1    9 o  117.713   1.2000  108.732   2.2167  109.529   3.0305  107.815   3.2510  118.139   1.6346  117.210   1.7674 0.9298019 2.407442 
1 1 1    4    1   10 o  200.838   1.2739  316.524   4.0149  319.816   5.7000  313.283   5.6562  201.872   1.7993  199.799   1.8039 2.072647 2.547858 
1 1 1    4    1   11 o   66.036   1.4313   34.220   1.4833   33.591   1.9213   35.148   2.3337   65.398   1.8740   66.884   2.2265 -1.486351 2.910207 
1 1 1    4    1   12 o  677.236   2.6359  3599.64   28.014  3563.86   39.195  3637.01   40.053  673.784   3.7068  680.660   3.7497 -6.875305 5.272680 
1 1 1    4    1   13 o  147.007   1.3857  169.581   3.1968  167.697   4.7213  171.176   4.3441  146.183   2.0581  147.693   1.8743 -1.510239 2.783622 
1 1 1    4    1   14 o  216.269   1.3295  367.022   4.5122  356.678   6.8125  375.107   6.0227  213.191   2.0362  218.633   1.7554 -5.442184 2.688412 
1 1 1    4    1   15 o  328.076   1.5138  844.635   7.7937  841.662   10.993  847.639   11.052  327.482   2.1390  328.642   2.1429 -1.160461 3.027725 
1 1 1    4    1   16 o  258.498   1.3724  524.364   5.5675  522.649   7.6056  526.344   8.1719  258.065   1.8780  258.972   2.0108 -0.9071350 2.751409 
1 1 1    4    1   17 o  308.412   1.4573  746.466   7.0532  742.647   9.9299  750.355   10.020  307.598   2.0571  309.190   2.0651 -1.591858 2.914841 
1 1 1    4    1   18 o  257.789   1.4239  521.570   5.7604  517.865   8.0955  525.369   8.1985  256.840   2.0085  258.693   2.0195 -1.853333 2.848238 
1 1 1    4    1   19 o  217.485   1.5065  371.306   5.1418  367.275   7.5372  374.816   7.0321  216.243   2.2211  218.468   2.0511 -2.224548 3.023283 
1 1 1    4    1   20 o   39.270   1.9592   12.143   1.2036   13.492   1.6577   10.638   1.7503   41.352   2.5672   36.647   3.0718 4.705246 4.003278 
1 1 1    4    1   21 o   53.684   1.8224   22.665   1.5331   21.759   2.1177   23.664   2.2223   52.537   2.5764   54.792   2.5919 -2.255135 3.654575 
1 1 1    4    1   22 f   84.781   1.8608   56.487   2.4758   58.003   3.5384   55.033   3.4654   85.805   2.6309   83.576   2.6455 2.229164 3.731006 
1 1 1    4    1   23 o   46.958   2.9226   17.450   2.1430   20.394   3.6532   15.906   2.6461   50.470   4.6653   44.685   3.8098 5.785160 6.023264 
1 1 1    4    1   24 o  116.414   1.7549  106.566   3.2060  101.007   4.5031  112.280   4.5657  113.206   2.5347  119.377   2.4371 -6.170212 3.516297 
1 1 1    4    1   25 o   61.341   2.4952   29.743   2.3969   29.574   3.4076   29.908   3.3721   60.930   3.5795   61.289   3.5208 -0.3589249 5.020873 
1 1 1    4    1   26 o   65.478   2.4177   33.927   2.4801   33.777   3.5274   34.073   3.4876   65.046   3.4682   65.348   3.4127 -0.3021774 4.865688 
1 1 1    4    1   27 o   37.481   3.5756   11.335   2.0777   11.426   2.9465   11.244   2.9302   37.083   5.2064   36.774   5.2242 0.3089485 7.375566 
1 1 1    4    1   28 o   13.712   5.3018   1.0883   1.6212   3.3652   2.3064  -1.1356   2.2794   20.018   6.4547   12.082   5.4945 7.936340 8.476643 
1 1 1    4    1   29 o   10.997   4.8455  -0.3032   1.6272  -0.2872   2.2991  -0.3192   2.3034   13.108   5.7683   13.078   5.7635 0.3083611E-01 8.154217 
1 1 1    4    1   30 o   17.477   4.8904   2.6514   1.3938   3.1523   1.9525   2.1308   1.9903   18.936   5.9193   16.490   5.9746 2.445330 8.410398 
1 1 1    4    1   31 o   14.251   4.6466   1.7270   1.1933   1.9758   1.7186   1.4954   1.6582   15.470   5.5588   14.241   5.3976 1.229254 7.748159 
1 1 1    4    1   32 o   17.138   5.8425   2.7385   1.8828   5.5064   2.6218  -0.2091   2.7055   23.189   6.7790   13.394   6.0491 9.795160 9.085483 
1 1 1    4    1   33 o   7.0333   3.4982  -3.3518   1.5113  -6.9500   2.4995  -1.2784   1.8974   8.1839   4.1293   10.083   4.7322 -1.899198 6.280509 
1 1 1    4    2    0 o  258.845   1.8622  525.826   7.5636  525.826   7.5636  525.826   7.5636  258.845   1.8622  258.845   1.8622 0.000000 0.000000 
1 1 1    4    2    1 o  200.092   2.1093  314.188   6.6234  315.818   8.5718  311.773   10.434  200.603   2.7229  199.304   3.3360 1.298691 4.306169 
1 1 1    4    2    2 o  441.898   2.1351  1532.41   14.807  1538.56   21.015  1526.34   20.866  442.758   3.0245  440.997   3.0150 1.761047 4.270576 
1 1 1    4    2    3 o  156.344   1.3249  191.804   3.2505  181.918   4.7155  200.755   4.4869  152.257   1.9735  159.947   1.7876 -7.690292 2.662755 
1 1 1    4    2    4 o  662.636   2.9798  3446.16   30.987  3422.51   43.504  3470.50   44.147  660.279   4.1985  664.889   4.2310 -4.610413 5.960587 
1 1 1    4    2    5 o  723.895   3.3669  4113.19   38.248  4101.31   51.624  4127.65   56.950  722.745   4.5515  725.014   5.0054 -2.268921 6.765409 
1 1 1    4    2    6 o  206.699   1.2837  335.259   4.1640  338.082   5.9102  332.476   5.8677  207.562   1.8145  205.834   1.8165 1.727921 2.567504 
1 1 1    4    2    7 o   64.223   1.2714   32.366   1.2814   33.062   1.8084   31.663   1.8159   64.884   1.7777   63.493   1.8244 1.390327 2.547250 
1 1 1    4    2    8 o  584.709   2.5750  2683.54   23.628  2653.18   31.834  2720.78   35.258  581.308   3.4896  588.631   3.8169 -7.322815 5.171668 
1 1 1    4    2    9 o  111.447   1.5415   97.470   2.6960   96.499   3.7912   98.463   3.8346  110.883   2.1787  112.006   2.1816 -1.122696 3.083208 
1 1 1    4    2   10 o  246.905   1.3887  478.388   5.3809  471.863   7.5334  485.184   7.6884  245.204   1.9577  248.641   1.9704 -3.436630 2.777638 
1 1 1    4    2   11 o  268.268   1.3569  564.739   5.7124  564.850   8.0639  564.626   8.0932  268.284   1.9153  268.231   1.9227 0.5337524E-01 2.713888 
1 1 1    4    2   12 o  127.992   1.1756  128.547   2.3614  125.020   3.2030  132.747   3.4950  126.221   1.6170  130.063   1.7123 -3.841492 2.355168 
1 1 1    4    2   13 o  406.160   2.1081  1294.59   13.437  1299.32   18.303  1289.06   19.790  406.878   2.8664  405.259   3.1117 1.618774 4.230743 
1 1 1    4    2   14 o  126.232   1.1840  125.036   2.3454  122.016   3.4248  127.703   3.2185  124.694   1.7502  127.568   1.6077 -2.873901 2.376519 
1 1 1    4    2   15 o  450.162   1.8861  1590.32   13.324  1591.77   18.839  1588.87   18.848  450.331   2.6658  449.920   2.6695 0.4105835 3.772591 
1 1 1    4    2   16 o  215.861   1.2879  365.647   4.3627  369.630   6.4383  362.264   5.9322  217.023   1.8904  214.852   1.7594 2.170502 2.582508 
1 1 1    4    2   17 o  356.365   1.5994  996.679   8.9445  998.091   12.663  995.274   12.636  356.581   2.2629  356.078   2.2613 0.5034180 3.199089 
1 1 1    4    2   18 o  143.311   1.1750  161.181   2.6425  163.508   3.9215  159.245   3.5764  144.327   1.7314  142.437   1.6000 1.889877 2.357483 
1 1 1    4    2   19 o   74.158   1.5356   43.173   1.7871   42.129   2.4831   44.295   2.5741   73.207   2.1638   75.065   2.1875 -1.858406 3.076861 
1 1 1    4    2   20 o  117.018   1.3517  107.497   2.4822  106.619   3.4788  108.407   3.5426  116.511   1.9027  117.482   1.9215 -0.9717026 2.704150 
1 1 1    4    2   21 o  150.842   1.3441  178.649   3.1817  177.988   4.4721  179.326   4.5277  150.515   1.8933  151.079   1.9097 -0.5630951 2.689162 
1 1 1    4    2   22 o   81.291   1.4351   51.900   1.8307   52.378   2.5884   51.421   2.5897   81.627   2.0207   80.850   2.0428 0.7761612 2.873306 
1 1 1    4    2   23 o   47.850   1.9805   18.036   1.4839   19.939   2.0117   15.764   2.1978   50.253   2.5594   44.587   3.1615 5.666077 4.067641 
1 1 1    4    2   24 o   90.140   2.1234   63.958   3.0037   64.455   4.2171   63.446   4.2795   90.302   2.9799   89.577   3.0487 0.7256470 4.263177 
1 1 1    4    2   25 o   93.650   2.0996   69.104   3.0856   69.081   4.3498   69.127   4.3779   93.395   2.9716   93.421   2.9900 -0.2580261E-01 4.215522 
1 1 1    4    2   26 f   18.309   5.8620   2.7061   1.9046   2.7046   2.7613   2.7074   2.6305   19.383   7.0353   19.203   6.8800 0.1799927 9.840208 
1 1 1    4    2   27 f   16.378   5.5462   2.0878   1.6964   2.6877   2.4057   1.4945   2.3924   18.732   6.5926   16.356   6.4074 2.375847 9.193357 
1 1 1    4    2   28 o   21.061   5.0559   3.7856   1.6498   4.0079   2.3613   3.5736   2.3060   21.543   6.4682   20.496   6.4367 1.046581 9.125198 
1 1 1    4    2   29 o   15.664   5.2135   1.9822   1.4994  -2.4758   2.1014   6.6061   2.1402   10.068   4.7996   27.819   5.0898 -17.75113 6.995864 
1 1 1    4    2   30 o   54.395   2.0701   23.558   1.7639   24.687   2.5040   22.446   2.4851   55.306   2.8951   52.665   3.0195 2.641155 4.183198 
1 1 1    4    2   31 o   28.511   3.3844   6.7771   1.4847   6.6672   1.8665   6.9665   2.4501   27.715   4.4414   27.416   5.8717 0.2992058 7.362227 
1 1 1    4    2   32 o   36.064   4.0041   11.217   2.2280   12.084   3.0773   10.261   3.2299   35.964   5.6377   32.128   6.6263 3.835800 8.700030 
1 1 1    4    2   33 o   15.228   6.0695   1.8781   2.1809   3.3376   2.5961  -1.6220   4.0202   18.190   6.7835   14.194   6.7299 3.995322 9.555522 
1 1 1    4    2   34 o   7.3706   3.6230  -2.4391   1.4578  -5.0008   1.9894   0.5322   2.1425   7.4905   3.7671   12.443   5.5177 -4.953011 6.681029 
1 1 1    4    3    0 o  172.951   2.6270  234.888   7.1262  234.888   7.1262  234.888   7.1262  172.951   2.6270  172.951   2.6270 0.000000 0.000000 
1 1 1    4    3    1 o  713.497   3.9022  3996.10   43.692  3957.84   61.170  4035.95   62.430  709.933   5.4905  716.898   5.5491 -6.964783 7.806342 
1 1 1    4    3    2 o  503.854   2.9049  1992.43   22.969  1975.53   32.215  2009.91   32.759  501.658   4.0921  506.002   4.1254 -4.344147 5.810711 
1 1 1    4    3    3 o  139.755   1.6641  153.267   3.6496  149.041   5.5422  156.502   4.8494  137.808   2.5627  141.219   2.1882 -3.411072 3.369853 
1 1 1    4    3    4 o  607.669   2.7704  2898.08   26.419  2909.03   37.507  2887.29   37.219  608.747   3.9262  606.469   3.9107 2.277588 5.541484 
1 1 1    4    3    5 o  220.636   1.4333  381.996   4.9628  387.176   7.0778  376.986   6.9606  222.120   2.0305  219.177   2.0237 2.942337 2.866764 
1 1 1    4    3    6 o  483.589   2.1296  1835.29   16.161  1843.21   22.949  1827.50   22.763  484.589   3.0177  482.520   3.0061 2.069427 4.259518 
1 1 1    4    3    7 o  498.079   2.1790  1947.02   17.032  1949.15   24.123  1944.90   24.050  498.297   3.0849  497.754   3.0789 0.5432129 4.358425 
1 1 1    4    3    8 o  106.834   1.4490   89.566   2.4293   87.770   3.4518   91.328   3.4195  105.751   2.0800  107.874   2.0200 -2.122826 2.899407 
1 1 1    4    3    9 o  146.728   1.2644  168.943   2.9115  164.107   4.2771  173.119   3.9745  144.605   1.8848  148.525   1.7052 -3.919739 2.541662 
1 1 1    4    3   10 o  267.612   1.4548  561.997   6.1096  561.389   8.6573  562.601   8.6233  267.453   2.0626  267.742   2.0524 -0.2888184 2.909752 
1 1 1    4    3   11 o  132.704   1.5359  138.194   3.1985  139.000   4.9187  137.603   4.2102  133.083   2.3552  132.416   2.0261 0.6664276 3.106744 
1 1 1    4    3   12 o  192.776   1.2971  291.612   3.9242  287.582   5.5370  295.680   5.5623  191.434   1.8431  194.110   1.8260 -2.676605 2.594472 
1 1 1    4    3   13 o  309.640   1.7784  752.375   8.6418  773.819   14.647  740.925   10.703  313.995   2.9725  307.267   2.2197 6.727722 3.709826 
1 1 1    4    3   14 o  160.051   1.3551  201.012   3.4036  197.657   4.8015  204.401   4.8255  158.704   1.9279  161.389   1.9053 -2.684982 2.710511 
1 1 1    4    3   15 o  159.419   1.3210  199.432   3.3048  197.202   4.8056  201.432   4.5520  158.518   1.9318  160.211   1.8105 -1.692612 2.647616 
1 1 1    4    3   16 o  264.509   1.3616  549.038   5.6518  548.947   7.9902  549.129   7.9956  264.473   1.9252  264.517   1.9262 -0.4385376E-01 2.723289 
1 1 1    4    3   17 f  132.573   1.1897  137.924   2.4752  134.549   3.5809  141.012   3.4252  130.932   1.7428  134.042   1.6283 -3.109863 2.385075 
1 1 1    4    3   18 o  159.095   1.2668  198.648   3.1628  201.378   4.4932  195.966   4.4527  160.167   1.7876  158.000   1.7958 2.167160 2.533895 
1 1 1    4    3   19 o   68.053   1.6689   36.360   1.7823   32.680   2.4824   40.277   2.5605   64.447   2.4590   71.569   2.2827 -7.121696 3.355211 
1 1 1    4    3   20 o   45.882   2.1243   16.575   1.5254   14.993   2.1361   18.221   2.1790   43.538   3.1476   48.045   2.9036 -4.506504 4.282354 
1 1 1    4    3   21 o   42.721   2.2017   14.384   1.4711   16.740   2.0837   12.042   2.0772   46.028   2.8994   38.942   3.4341 7.085934 4.494400 
1 1 1    4    3   22 o   54.830   1.8574   23.654   1.5959   23.382   2.2480   23.931   2.2660   54.436   2.6393   55.074   2.6294 -0.6380844 3.725592 
1 1 1    4    3   23 o   47.910   2.3622   18.112   1.7706   16.148   2.3920   20.492   2.6332   45.088   3.4058   50.836   3.3189 -5.747879 4.755485 
1 1 1    4    3   24 o   71.280   1.6749   39.948   1.8735   40.291   2.6001   39.578   2.7020   71.480   2.3210   70.827   2.4346 0.6532898 3.363623 
1 1 1    4    3   25 o   48.546   1.9518   18.590   1.4839   19.247   2.0762   17.904   2.1218   49.281   2.6948   47.496   2.8599 1.785095 3.929519 
1 1 1    4    3   26 o  104.688   1.6585   86.296   2.7246   89.778   3.8903   82.945   3.8171  106.598   2.3256  102.446   2.3743 4.151695 3.323473 
1 1 1    4    3   27 o   26.310   4.3489   5.7284   1.7329   4.9111   2.4595   6.5343   2.4421   23.829   6.4295   27.663   5.8106 -3.834230 8.666114 
1 1 1    4    3   28 f   58.357   2.2206   27.014   2.0299   27.369   2.8623   26.656   2.8793   58.427   3.1332   57.634   3.1959 0.7929916 4.475619 
1 1 1    4    3   29 o   23.237   4.4135   4.5625   1.5506   3.2603   2.1969   5.8551   2.1888   19.507   6.3005   25.951   5.5430 -6.444351 8.391701 
1 1 1    4    3   30 o   8.0242   3.8153  -1.5078   1.3102  -0.5155   1.8170  -2.5824   1.8909   11.189   5.0132   9.1689   4.4185 2.019855 6.682498 
1 1 1    4    3   31 o   12.684   5.6535  -0.2017   2.2788  -5.6853   3.2172   5.3198   3.2283   10.717   5.2899   22.819   7.6508 -12.10128 9.301499 
1 1 1    4    3   32 o   18.614   6.4438   3.3893   2.2929   4.0636   3.1886   2.6674   3.2994   19.874   7.4957   17.781   7.3253 2.092928 10.48069 
1 1 1    4    3   33 o   16.156   6.9097   1.8662   3.1118  -0.8980   4.2751   4.9810   4.5381   14.997   7.0586   20.501   8.5314 -5.504281 11.07292 
1 1 1    4    3   34 o   12.398   5.3630   0.8082   1.9154   2.5039   2.6220  -1.1323   2.8049   15.723   6.5089   11.857   5.6215 3.866749 8.600391 
1 1 1    4    4    0 o  498.676   2.8878  1951.67   22.597  1951.67   22.597  1951.67   22.597  498.676   2.8878  498.676   2.8878 -0.000000 0.000000 
1 1 1    4    4    1 o  461.649   1.9244  1672.42   13.942  1692.99   19.939  1652.74   19.501  464.455   2.7355  458.903   2.7079 5.552643 3.849167 
1 1 1    4    4    2 o  579.103   2.3848  2631.83   21.673  2652.70   29.921  2608.79   31.435  581.353   3.2797  576.511   3.4746 4.842407 4.777947 
1 1 1    4    4    3 o  257.754   1.4313  521.331   5.7896  519.360   8.1730  523.317   8.2025  257.258   2.0244  258.237   2.0240 -0.9781189 2.862709 
1 1 1    4    4    4 o  297.635   1.5405  695.150   7.1954  706.902   10.308  683.982   10.049  300.129   2.1885  295.224   2.1690 4.905121 3.081245 
1 1 1    4    4    5 o  308.202   1.5726  745.396   7.6059  736.748   10.675  754.312   10.839  306.396   2.2202  310.026   2.2279 -3.630554 3.145265 
1 1 1    4    4    6 o  351.928   1.7042  971.934   9.4122  964.213   13.237  979.831   13.386  350.505   2.4065  353.333   2.4142 -2.827118 3.408711 
1 1 1    4    4    7 o  126.349   1.4515  125.275   2.8781  122.764   3.6903  129.175   4.5983  125.071   1.8802  128.290   2.2840 -3.218918 2.958318 
1 1 1    4    4    8 o  372.302   2.2069  1087.89   12.894  1090.41   17.313  1084.76   19.321  372.690   2.9602  371.701   3.3123 0.9895020 4.442291 
1 1 1    4    4    9 o  273.310   1.5358  586.196   6.5872  566.281   9.4726  604.845   9.1664  268.608   2.2472  277.608   2.1041 -9.000366 3.078491 
1 1 1    4    4   10 o  166.431   1.5207  217.366   3.9718  219.108   5.1550  214.821   6.2305  167.091   1.9659  165.441   2.3998 1.649689 3.102247 
1 1 1    4    4   11 o  669.477   2.6166  3517.69   27.491  3509.89   38.806  3525.54   38.950  668.651   3.6982  670.140   3.7037 -1.488281 5.233926 
1 1 1    4    4   12 o  355.582   1.6138  992.185   9.0051  985.445   12.681  999.042   12.790  354.358   2.2803  356.794   2.2843 -2.436249 3.227669 
1 1 1    4    4   13 o  649.344   2.5509  3309.15   25.994  3280.70   36.444  3338.61   37.087  646.482   3.5922  652.159   3.6238 -5.677612 5.102558 
1 1 1    4    4   14 o  554.200   2.3855  2410.48   20.747  2395.68   29.201  2425.57   29.483  552.437   3.3683  555.871   3.3797 -3.433899 4.771563 
1 1 1    4    4   15 o  345.270   1.6965  935.523   9.1923  937.169   13.063  933.908   12.938  345.550   2.4089  344.949   2.3901 0.6009216 3.393378 
1 1 1    4    4   16 o   29.736   2.7334   7.0000   1.2613   6.7210   1.8850   7.2262   1.6973   28.940   4.2793   30.113   3.6671 -1.172825 5.635656 
1 1 1    4    4   17 o  246.884   1.4271  478.349   5.5293  468.046   7.7704  488.918   7.8697  244.187   2.0277  249.573   2.0093 -5.386108 2.854683 
1 1 1    4    4   18 o  236.704   1.4000  439.761   5.2003  446.595   7.4684  433.330   7.2454  238.499   1.9954  234.933   1.9652 3.566406 2.800681 
1 1 1    4    4   19 o  123.854   1.3350  120.413   2.5947  120.025   3.7691  120.762   3.5773  123.626   1.9428  124.010   1.8382 -0.3848648 2.674571 
1 1 1    4    4   20 o   84.951   1.9107   56.688   2.5473   56.556   3.7863   56.796   3.4429   84.749   2.8510   84.955   2.5854 -0.2063141 3.848707 
1 1 1    4    4   21 o   92.752   1.7515   67.582   2.5494   71.098   3.6154   64.104   3.5956   95.052   2.4257   90.239   2.5416 4.812645 3.513359 
1 1 1    4    4   22 o   76.772   1.7992   46.320   2.1677   46.815   3.1410   45.870   2.9954   77.072   2.6006   76.301   2.5050 0.7706375 3.610865 
1 1 1    4    4   23 o   11.805   4.9033   0.2772   1.4949  -0.8437   1.9094   2.0524   2.4029   11.449   5.1337   17.781   6.5455 -6.332059 8.318581 
1 1 1    4    4   24 o  103.624   1.5377   84.407   2.5006   86.618   3.4095   81.834   3.6785  104.895   2.0712  101.918   2.2999 2.977020 3.095108 
1 1 1    4    4   25 o   79.559   1.7609   49.822   2.1985   50.234   2.9868   49.334   3.2479   79.747   2.3893   78.975   2.6243 0.7722168 3.549025 
1 1 1    4    4   26 o   26.155   3.7108   5.5670   1.4804   6.6579   2.0549   4.3901   2.1345   28.349   4.7894   22.716   5.9263 5.632687 7.619709 
1 1 1    4    4   27 o   26.759   3.3285   5.8028   1.3676   5.4398   1.8885   6.2031   1.9831   25.445   4.9072   27.244   4.8144 -1.798786 6.874487 
1 1 1    4    4   28 o   12.890   4.4570   1.2469   1.0968  -1.3696   1.4695   4.5375   1.6480   8.9389   4.1854   23.170   4.6935 -14.23077 6.288559 
1 1 1    4    4   29 o   50.671   2.6321   20.546   2.0858   14.821   2.8802   26.859   3.0247   42.256   4.4082   57.613   3.3601 -15.35645 5.542754 
1 1 1    4    4   30 o   40.078   2.7422   12.981   1.7143   10.637   2.5286   14.975   2.3322   35.292   4.6809   42.675   3.5136 -7.382813 5.852815 
1 1 1    4    4   31 o   15.758   5.6941   2.0930   1.8062   9.1744   3.6207  -0.2533   2.0841   29.774   7.6941   12.086   5.3954 17.68793 9.397320 
1 1 1    4    4   32 o   15.809   6.6648   1.6275   2.8247   0.4182   4.8544   2.2466   3.4733   16.973   7.8297   17.316   7.3494 -0.3433952 10.73861 
1 1 1    4    4   33 o   10.596   5.0265  -1.7060   2.2485   0.1635   3.1012  -3.7777   3.2646   14.151   6.4252   11.445   5.5824 2.705982 8.511555 
1 1 1    4    4   34 o   11.578   5.2978  -0.0958   2.1612  -1.5944   2.9941   1.5344   3.1228   11.762   5.6402   14.677   6.5744 -2.914101 8.662245 
1 1 1    4    5    0 o  340.352   2.8011  909.227   14.959  909.227   14.959  909.227   14.959  340.352   2.8011  340.352   2.8011 0.000000 0.000000 
1 1 1    4    5    1 o  301.470   1.5579  713.174   7.3705  711.519   10.397  714.846   10.450  301.109   2.2003  301.812   2.2064 -0.7028809 3.115978 
1 1 1    4    5    2 o  502.869   2.0628  1984.46   16.279  1998.91   23.180  1970.41   22.867  504.662   2.9268  501.052   2.9081 3.609741 4.125968 
1 1 1    4    5    3 o  140.425   1.4752  154.738   3.2510  157.390   4.6197  152.135   4.5758  141.618   2.0787  139.234   2.0942 2.384216 2.950654 
1 1 1    4    5    4 o  152.402   1.1637  182.255   2.7831  180.183   3.9234  184.353   3.9484  151.529   1.6499  153.273   1.6415 -1.743637 2.327415 
1 1 1    4    5    5 o  332.079   1.5451  865.372   8.0518  856.927   11.300  874.082   11.476  330.439   2.1791  333.729   2.1912 -3.290802 3.090303 
1 1 1    4    5    6 o  160.158   1.3206  201.284   3.3192  197.871   4.8631  204.260   4.5416  158.786   1.9516  161.331   1.7938 -2.545349 2.650771 
1 1 1    4    5    7 o   36.855   2.1777   10.698   1.2539   9.2686   1.6350   12.739   1.9538   34.222   3.0772   40.161   3.1247 -5.938370 4.385526 
1 1 1    4    5    8 o  501.401   3.3707  1973.89   26.522  1967.18   37.427  1980.66   37.590  500.391   4.7661  502.102   4.7706 -1.711060 6.743514 
1 1 1    4    5    9 o  149.849   1.4601  176.211   3.4336  174.629   5.1139  177.509   4.6333  149.165   2.1846  150.394   1.9631 -1.228210 2.937108 
1 1 1    4    5   10 o  292.177   1.6785  669.916   7.6963  662.783   10.845  677.154   10.924  290.601   2.3780  293.734   2.3699 -3.133667 3.357279 
1 1 1    4    5   11 f  440.097   2.1657  1519.99   14.957  1510.95   21.082  1529.16   21.224  438.751   3.0619  441.386   3.0642 -2.634735 4.331754 
1 1 1    4    5   12 o  236.587   1.4254  439.222   5.2921  439.113   7.5196  439.329   7.4491  236.549   2.0257  236.608   2.0062 -0.5863953E-01 2.850972 
1 1 1    4    5   13 o  242.629   1.4965  461.948   5.6982  463.025   7.3246  460.298   9.0690  242.905   1.9215  242.181   2.3862 0.7244720 3.063696 
1 1 1    4    5   14 o  178.459   1.4297  249.915   4.0040  249.615   6.1657  250.133   5.2654  178.342   2.2030  178.531   1.8794 -0.1897888 2.895741 
1 1 1    4    5   15 o  318.924   1.5274  798.179   7.6445  793.359   10.784  803.048   10.838  317.941   2.1614  319.877   2.1590 -1.935577 3.055009 
1 1 1    4    5   16 o   89.132   1.3592   62.345   1.9011   62.556   2.7494   62.152   2.6316   89.277   1.9624   88.989   1.8845 0.2881241 2.720731 
1 1 1    4    5   17 o  106.130   1.2748   88.395   2.1232   87.214   3.0463   89.511   2.9607  105.409   1.8416  106.789   1.7667 -1.380226 2.551980 
1 1 1    4    5   18 o  107.908   1.5262   91.403   2.5845   88.955   3.4170   94.676   3.9509  106.436   2.0457  109.795   2.2930 -3.359177 3.072927 
1 1 1    4    5   19 o   48.958   1.7588   18.845   1.3491   18.697   1.9799   18.974   1.8431   48.705   2.5998   49.082   2.4002 -0.3765144 3.538364 
1 1 1    4    5   20 o   57.158   1.5750   25.674   1.4114   26.674   2.0786   24.819   1.9227   58.213   2.2797   56.156   2.1859 2.057167 3.158362 
1 1 1    4    5   21 o   89.314   1.4041   62.641   1.9680   63.156   2.8256   62.156   2.7425   89.642   2.0086   88.933   1.9651 0.7091370 2.809957 
1 1 1    4    5   22 o   49.173   2.2753   19.063   1.7510   19.093   2.5197   19.035   2.4351   49.085   3.2901   49.026   3.1823 0.5900955E-01 4.577314 
1 1 1    4    5   23 o   27.239   3.7079   5.9769   1.5439   6.6690   2.1800   5.2806   2.1867   28.521   5.0558   25.208   5.6661 3.312719 7.593779 
1 1 1    4    5   24 f   66.956   1.8126   35.296   1.9028   36.214   2.7119   34.406   2.6706   67.709   2.5568   65.990   2.5838 1.718643 3.635056 
1 1 1    4    5   25 o   46.379   2.2347   17.007   1.6217   19.599   2.3640   14.703   2.2288   49.641   3.0493   42.907   3.3363 6.733376 4.519864 
1 1 1    4    5   26 o   34.342   3.1143   9.4510   1.6602   8.6285   2.4410   10.159   2.2645   32.278   4.9789   35.336   4.1635 -3.058491 6.490314 
1 1 1    4    5   27 o   18.520   5.5834   2.8751   1.7568   1.5822   2.4052   4.3537   2.5722   16.495   6.4354   22.479   6.7512 -5.983822 9.327030 
1 1 1    4    5   28 o   20.816   4.2786   3.6451   1.3509   3.3318   1.8824   3.9777   1.9399   19.700   5.7399   21.430   5.6781 -1.730444 8.073855 
1 1 1    4    5   29 o   35.363   2.4564   10.011   1.3547   10.701   1.9127   9.3160   1.9191   36.246   3.4023   33.690   3.6901 2.556252 5.019195 
1 1 1    4    5   30 o   26.979   2.8264   5.9343   1.1789   6.8061   1.6405   5.0034   1.6952   28.525   3.7559   23.989   4.6712 4.536783 5.993912 
1 1 1    4    5   31 o   10.214   4.3617   0.1855   1.2365  -0.3479   1.7261   0.7477   1.7721   10.906   4.8864   12.819   5.3326 -1.912663 7.232777 
1 1 1    4    5   32 o   16.547   7.1193   1.7807   3.3403   4.6250   4.7426  -1.0190   4.7054   20.594   8.6562   15.728   7.4036 4.865607 11.39053 
1 1 1    4    5   33 o   11.999   5.7675  -2.5163   3.1735   0.9122   4.5038  -5.8970   4.4723   16.372   7.5486   12.469   6.1696 3.903016 9.749115 
1 1 1    4    5   34 o   16.601   6.5144   3.1936   2.4765   6.3630   3.4505  -0.1733   3.5564   20.915   7.8164   13.470   6.3698 7.444206 10.08318 
1 1 1    4    6    0 o  659.644   3.6612  3415.35   37.897  3415.35   37.897  3415.35   37.897  659.644   3.6612  659.644   3.6612 -0.000000 0.000000 
1 1 1    4    6    1 f  123.543   1.1787  119.767   2.2851  124.252   3.2743  115.508   3.1907  125.832   1.6581  121.324   1.6758 4.508522 2.357491 
1 1 1    4    6    2 o  366.727   1.6517  1055.37   9.5055  1046.18   13.345  1064.84   13.543  365.109   2.3291  368.350   2.3428 -3.240692 3.303577 
1 1 1    4    6    3 o  245.034   1.4299  471.157   5.4984  464.250   7.7178  478.276   7.8355  243.222   2.0220  246.869   2.0225 -3.646835 2.859910 
1 1 1    4    6    4 o  350.491   1.7165  964.020   9.4414  953.842   13.250  974.518   13.456  348.614   2.4220  352.372   2.4335 -3.757599 3.433318 
1 1 1    4    6    5 o  351.671   1.7214  970.538   9.5000  983.839   13.595  957.844   13.281  354.046   2.4468  349.338   2.4226 4.707520 3.443224 
1 1 1    4    6    6 o  191.935   1.3316  289.085   4.0109  294.032   5.7351  284.349   5.6115  193.560   1.8881  190.347   1.8786 3.213455 2.663418 
1 1 1    4    6    7 o  198.053   1.6061  307.825   4.9920  301.584   7.0090  314.249   7.1116  196.021   2.2785  200.095   2.2648 -4.073914 3.212587 
1 1 1    4    6    8 o  242.310   1.7066  460.773   6.4895  456.703   10.156  463.582   8.4368  241.210   2.6829  243.035   2.2121 -1.824738 3.477228 
1 1 1    4    6    9 o  255.788   1.7307  513.449   6.9470  510.284   9.7990  516.648   9.8503  254.981   2.4489  256.566   2.4465 -1.585159 3.461543 
1 1 1    4    6   10 o  124.029   1.3424  120.713   2.6128  118.955   3.6917  122.477   3.6984  123.119   1.9107  124.928   1.8864 -1.809296 2.685060 
1 1 1    4    6   11 o  346.579   1.6107  942.580   8.7607  942.460   12.393  942.700   12.386  346.543   2.2788  346.587   2.2773 -0.4418945E-01 3.221635 
1 1 1    4    6   12 o  471.026   1.9799  1741.08   14.635  1736.64   20.650  1745.57   20.744  470.395   2.7974  471.603   2.8030 -1.207397 3.960053 
1 1 1    4    6   13 o  164.284   1.4328  211.788   3.6940  214.038   5.5372  209.984   4.9588  165.147   2.1366  163.578   1.9317 1.568802 2.880355 
1 1 1    4    6   14 o  578.958   2.5877  2630.93   23.511  2641.22   32.214  2619.19   34.392  580.010   3.5392  577.561   3.7945 2.449463 5.188852 
1 1 1    4    6   15 o   34.169   3.3995   9.2570   1.7987   3.9221   2.5606   14.453   2.5271   22.276   6.7461   42.733   3.8083 -20.45717 7.746762 
1 1 1    4    6   16 o  128.506   1.3979  129.596   2.8191  129.983   3.8933  129.170   4.0875  128.689   1.9278  128.284   2.0304 0.4050140 2.799815 
1 1 1    4    6   17 o  107.481   1.3957   90.667   2.3541   90.987   3.3539   90.356   3.3049  107.658   1.9852  107.284   1.9630 0.3737183 2.791848 
1 1 1    4    6   18 o   88.748   1.4144   61.825   1.9698   62.822   2.8711   60.939   2.7076   89.441   2.0455   88.093   1.9586 1.347618 2.832004 
1 1 1    4    6   19 o  107.062   1.3121   89.980   2.2045   87.385   3.1604   92.439   3.0766  105.480   1.9093  108.493   1.8070 -3.013031 2.628784 
1 1 1    4    6   20 f   84.465   1.3983   56.017   1.8535   57.838   2.7037   54.402   2.5459   85.797   2.0081   83.213   1.9496 2.583817 2.798799 
1 1 1    4    6   21 o   76.621   1.4513   46.108   1.7450   47.847   2.5379   44.548   2.4033   77.988   2.0755   75.254   2.0369 2.734169 2.908082 
1 1 1    4    6   22 o   26.637   2.8932   5.6574   1.1900   6.4184   1.8027   5.0697   1.5841   28.166   4.2073   24.971   4.1908 3.194859 5.938349 
1 1 1    4    6   23 o   36.436   3.0972   10.557   1.7542   9.1396   2.5348   11.860   2.4301   33.511   4.9704   38.456   4.0893 -4.944534 6.436397 
1 1 1    4    6   24 o   44.175   2.5302   15.447   1.7467   13.238   2.5240   17.477   2.4196   40.601   4.0138   46.858   3.3118 -6.256790 5.203739 
1 1 1    4    6   25 o   36.147   2.8918   10.415   1.6267   10.345   2.3336   10.480   2.2687   35.708   4.2476   35.984   4.0900 -0.2767448 5.896674 
1 1 1    4    6   26 o   32.603   3.1570   8.5363   1.5950   9.1385   2.2558   7.9342   2.2556   33.396   4.4122   30.960   4.7977 2.435471 6.518082 
1 1 1    4    6   27 o   37.010   2.8949   10.970   1.6680   8.1977   2.3528   13.771   2.3650   31.320   4.9513   41.247   3.6927 -9.926498 6.176674 
1 1 1    4    6   28 o   30.449   3.6373   7.5770   1.7037   7.3490   2.4134   7.8034   2.4055   29.293   5.4505   30.292   5.2503 -0.9986820 7.567940 
1 1 1    4    6   29 f   32.332   3.0671   8.4822   1.5376   7.4951   2.0886   9.6504   2.2721   29.762   4.6216   33.965   4.3633 -4.202858 6.355875 
1 1 1    4    6   30 o   15.433   5.1186   2.0251   1.4457   1.5020   2.0503   2.5423   2.0388   15.036   5.9191   17.233   6.0687 -2.197065 8.477326 
1 1 1    4    6   31 o   15.253   4.5748   2.0688   1.1817   2.8624   1.6471   1.2271   1.6962   17.594   5.4267   13.556   5.3692 4.037091 7.633912 
1 1 1    4    6   32 o   14.439   4.7588   1.8612   1.2502   2.8866   1.9904   1.1932   1.6066   17.339   6.0037   13.134   5.2179 4.204894 7.954298 
1 1 1    4    6   33 o   10.030   4.7028  -1.1312   1.8665  -6.3896   3.6445   0.7383   2.1731   10.788   5.3766   13.113   5.6922 -2.325035 7.829986 
1 1 1    4    6   34 o   12.466   5.7109   0.3206   2.5212  -1.3330   3.4160   2.2993   3.7367   12.363   5.9531   15.436   7.0259 -3.072664 9.208860 
1 1 1    4    7    0 o  482.425   4.0190  1827.14   30.422  1827.14   30.422  1827.14   30.422  482.425   4.0190  482.425   4.0190 0.000000 0.000000 
1 1 1    4    7    1 o  177.441   1.7300  247.080   4.8174  242.753   6.7415  251.595   6.8864  175.869   2.4427  179.043   2.4509 -3.173965 3.460292 
1 1 1    4    7    2 o  172.864   1.5467  234.495   4.1957  242.605   5.9920  226.693   5.8770  175.819   2.1717  169.955   2.2035 5.863922 3.093819 
1 1 1    4    7    3 o  347.358   2.0329  946.930   11.082  951.305   15.699  942.586   15.645  348.126   2.8736  346.527   2.8769 1.599182 4.066213 
1 1 1    4    7    4 o  299.836   1.6451  705.516   7.7407  711.487   11.450  700.489   10.505  301.077   2.4233  298.748   2.2407 2.329437 3.300510 
1 1 1    4    7    5 o  334.113   1.6828  876.055   8.8232  877.799   12.526  874.337   12.430  334.418   2.3868  333.759   2.3732 0.6593933 3.365865 
1 1 1    4    7    6 o  171.027   1.3824  229.539   3.7103  238.917   5.1617  219.512   5.3370  174.478   1.8852  167.240   2.0335 7.238525 2.772913 
1 1 1    4    7    7 o  175.216   1.4595  240.921   4.0132  246.577   6.3352  237.131   5.1865  177.246   2.2776  173.825   1.9013 3.420731 2.966892 
1 1 1    4    7    8 o  191.370   1.5586  287.393   4.6808  285.212   6.9174  289.236   6.3574  190.629   2.3123  191.974   2.1102 -1.344330 3.130470 
1 1 1    4    7    9 o  519.442   2.4705  2117.66   20.139  2137.70   26.677  2091.10   30.707  521.847   3.2575  516.089   3.7915 5.758362 4.998649 
1 1 1    4    7   10 o  381.262   1.8367  1140.71   10.989  1151.98   15.696  1129.87   15.392  383.119   2.6106  379.426   2.5849 3.693268 3.673860 
1 1 1    4    7   11 o  265.407   1.5277  552.754   6.3629  552.032   9.0208  553.469   8.9762  265.223   2.1673  265.569   2.1538 -0.3450623 3.055537 
1 1 1    4    7   12 o  264.240   1.5249  547.910   6.3234  552.147   9.0162  543.809   8.8709  265.250   2.1660  263.240   2.1474 2.010132 3.050068 
1 1 1    4    7   13 o  209.857   1.5523  345.595   5.1121  349.082   7.2885  342.218   7.1722  210.903   2.2022  208.819   2.1886 2.083755 3.104793 
1 1 1    4    7   14 o  281.378   1.6248  621.317   7.1747  620.149   9.8437  622.641   10.479  281.097   2.2315  281.658   2.3708 -0.5600586 3.255823 
1 1 1    4    7   15 o  201.222   1.4248  317.750   4.4993  317.945   6.4146  317.561   6.3126  201.271   2.0309  201.150   1.9998 0.1209717 2.850182 
1 1 1    4    7   16 o  104.765   1.5003   86.139   2.4666   88.667   3.5965   83.894   3.3893  106.279   2.1564  103.380   2.0891 2.898895 3.002399 
1 1 1    4    7   17 o  145.413   1.5441  165.974   3.5236  166.171   5.0924  165.794   4.8807  145.471   2.2307  145.310   2.1403 0.1607513 3.091437 
1 1 1    4    7   18 o  200.890   1.5659  316.836   4.9368  323.781   7.1572  310.534   6.8184  203.020   2.2465  198.829   2.1852 4.190262 3.133962 
1 1 1    4    7   19 o   39.825   2.9791   12.546   1.8484   13.538   2.8157   11.795   2.4502   41.187   4.4256   38.459   4.1241 2.727890 6.049325 
1 1 1    4    7   20 o   16.568   5.0741   2.1776   1.4432   0.4138   2.1381   3.6539   1.9561   14.159   5.8709   21.109   5.7502 -6.950060 8.217792 
1 1 1    4    7   21 o   21.981   4.4181   3.9600   1.4711   7.2897   2.1949   1.2448   1.9821   29.949   4.8348   15.259   5.8722 14.68989 7.606478 
1 1 1    4    7   22 o   15.407   4.8641   1.8634   1.3152   2.7707   1.8822   0.9976   1.8385   18.652   5.8089   14.349   5.6182 4.302855 8.081299 
1 1 1    4    7   23 o   77.451   1.5352   47.147   1.8660   47.167   2.6588   47.128   2.6194   77.368   2.1921   77.341   2.1603 0.2691650E-01 3.077683 
1 1 1    4    7   24 o   58.647   1.5951   27.073   1.4667   28.927   2.1383   25.426   2.0155   60.531   2.2550   56.742   2.2680 3.788506 3.198247 
1 1 1    4    7   25 o   53.808   2.3924   22.922   2.0151   23.915   2.7927   21.843   2.9107   54.756   3.2648   52.236   3.5722 2.519291 4.839380 
1 1 1    4    7   26 o   27.343   4.2960   6.1648   1.7827   3.9732   2.4664   8.5622   2.5796   21.649   6.6338   31.969   5.3295 -10.31972 8.509440 
1 1 1    4    7   27 o   39.558   3.0703   12.566   1.8911   14.033   2.6705   11.090   2.6783   41.436   4.1632   36.553   4.7838 4.883297 6.341669 
1 1 1    4    7   28 o   39.476   2.8555   12.515   1.7570   15.313   2.6351   10.275   2.3577   43.268   3.9234   35.204   4.3607 8.064102 5.865938 
1 1 1    4    7   29 o   23.197   4.3836   4.5824   1.5373   5.8612   2.2469   3.4572   2.1078   25.704   5.7180   19.769   6.1457 5.934694 8.394352 
1 1 1    4    7   30 o   7.8443   3.8307  -2.6188   1.5506  -3.5641   2.1840  -1.6580   2.2018   9.2690   4.5307   10.899   5.1096 -1.630110 6.829000 
1 1 1    4    7   31 o   15.354   4.9258   2.1112   1.3443   3.2044   1.8926   0.9980   1.9099   18.355   5.8399   13.467   5.5631 4.887901 8.065549 
1 1 1    4    7   32 o   15.794   4.8470   2.3025   1.3161   0.5867   1.9926   3.6302   1.7528   12.766   5.4957   19.363   5.5074 -6.597071 7.780317 
1 1 1    4    7   33 o   10.366   4.8459  -0.9768   1.9573  -2.2066   2.7557   0.2754   2.7806   11.171   5.3709   13.403   6.0848 -2.231197 8.116133 
1 1 1    4    7   34 o   11.860   4.8682   1.0845   1.4503   3.0128   2.0349  -0.9061   2.0676   16.150   6.0091   10.304   4.8678 5.845907 7.733382 
1 1 1    4    8    0 o   64.979   2.4271   33.274   2.4672   33.274   2.4672   33.274   2.4672   64.979   2.4271   64.979   2.4271 -0.000000 0.000000 
1 1 1    4    8    1 o  162.771   1.2464  207.906   3.1837  208.674   4.5050  207.140   4.4998  163.065   1.7605  162.464   1.7649 0.6005859 2.492826 
1 1 1    4    8    2 o  299.163   1.4920  702.333   7.0048  693.336   9.8219  711.646   9.9928  297.223   2.1057  301.121   2.1147 -3.898743 2.984285 
1 1 1    4    8    3 o   74.347   1.4768   43.376   1.7230   42.880   2.4356   43.874   2.4378   73.885   2.1028   74.739   2.0805 -0.8531418 2.958053 
1 1 1    4    8    4 o  348.354   1.6255  952.324   8.8863  944.609   12.491  960.230   12.645  346.914   2.2944  349.770   2.3037 -2.856201 3.251335 
1 1 1    4    8    5 o  168.224   1.2760  222.071   3.3685  220.973   4.7591  223.174   4.7684  167.800   1.8073  168.633   1.8019 -0.8337402 2.552047 
1 1 1    4    8    6 o  263.792   1.5226  546.079   6.3031  539.365   8.8226  553.078   9.0081  262.150   2.1446  265.461   2.1623 -3.310944 3.045476 
1 1 1    4    8    7 o  128.897   1.4705  130.378   2.9744  126.361   4.3350  133.952   4.0888  126.888   2.1770  130.646   1.9943 -3.757996 2.952397 
1 1 1    4    8    8 o  305.467   1.7072  732.248   8.1840  749.217   12.244  718.544   11.003  308.965   2.5252  302.580   2.3173 6.384308 3.427293 
1 1 1    4    8    9 o  230.471   1.7570  416.826   6.3548  425.528   9.1158  408.598   8.8634  232.851   2.4947  228.173   2.4753 4.678665 3.514329 
1 1 1    4    8   10 o  509.735   2.2674  2039.09   18.137  2038.00   25.617  2040.18   25.683  509.557   3.2036  509.830   3.2101 -0.2724609 4.535124 
1 1 1    4    8   11 f  112.228   1.4132   98.834   2.4889  103.471   3.5622   94.410   3.4789  114.827   1.9768  109.684   2.0211 5.143333 2.827145 
1 1 1    4    8   12 o  283.509   1.4906  630.735   6.6317  635.443   9.4195  626.107   9.3383  284.553   2.1094  282.455   2.1067 2.098053 2.981268 
1 1 1    4    8   13 o  191.214   1.5031  286.922   4.5104  285.265   6.1283  288.880   6.6625  190.652   2.0483  191.853   2.2129 -1.200943 3.015358 
1 1 1    4    8   14 o   45.793   2.4129   16.505   1.7279   16.394   2.4616   16.613   2.4260   45.563   3.4688   45.874   3.3940 -0.3104286 4.852992 
1 1 1    4    8   15 o  206.431   1.4198  334.422   4.5994  331.095   6.2617  338.321   6.7779  205.388   1.9427  207.612   2.0803 -2.224747 2.846400 
1 1 1    4    8   16 o  160.492   1.3449  202.151   3.3872  202.092   4.8296  202.207   4.7518  160.451   1.9181  160.497   1.8866 -0.4679871E-01 2.690402 
1 1 1    4    8   17 o   64.649   1.8540   32.842   1.8790   32.577   2.6952   33.093   2.6211   64.336   2.6754   64.851   2.5806 -0.5151367 3.717133 
1 1 1    4    8   18 o  120.309   1.3933  113.628   2.6306  112.079   3.7548  115.121   3.6866  119.455   2.0030  121.068   1.9404 -1.613716 2.788741 
1 1 1    4    8   19 o   77.617   1.6337   47.311   1.9899   47.992   2.8636   46.675   2.7672   78.103   2.3390   77.028   2.2918 1.075348 3.274602 
1 1 1    4    8   20 o   57.305   1.9130   25.834   1.7179   29.356   2.5041   22.703   2.3612   61.024   2.6210   53.630   2.8154 7.393661 3.846553 
1 1 1    4    8   21 o   60.668   2.0980   28.980   1.9944   26.773   2.9438   30.852   2.7116   58.169   3.2376   62.522   2.7705 -4.353588 4.261230 
1 1 1    4    8   22 o   55.453   1.9677   24.216   1.7096   24.472   2.4941   23.990   2.3480   55.631   2.8665   55.101   2.7238 0.5304184 3.954279 
1 1 1    4    8   23 o   84.880   1.7849   56.673   2.3776   55.712   3.3233   57.681   3.4030   84.015   2.5235   85.485   2.5395 -1.469604 3.580059 
1 1 1    4    8   24 o   46.250   2.3581   16.924   1.7059   16.566   2.4612   17.254   2.3666   45.539   3.4700   46.528   3.2619 -0.9887466 4.762466 
1 1 1    4    8   25 o   22.391   4.0420   4.1349   1.3681   2.6121   1.9350   5.6569   1.9345   18.074   5.9185   26.044   4.9133 -7.969744 7.692144 
1 1 1    4    8   26 o   60.507   1.9542   28.937   1.8532   28.214   2.5726   29.717   2.6718   59.531   2.7612   61.088   2.7944 -1.557781 3.928472 
1 1 1    4    8   27 o   13.393   5.4488   0.7259   1.7971  -0.7008   2.5750   2.0806   2.5092   13.425   5.9950   17.503   6.6385 -4.077873 8.944808 
1 1 1    4    8   28 o   26.821   4.6004   6.0769   1.8667   7.5873   2.6782   4.6501   2.6031   29.391   6.0096   22.788   6.7793 6.602591 9.059525 
1 1 1    4    8   29 o   17.670   5.5482   2.7186   1.7134   3.4873   2.4548   1.9885   2.3925   19.818   6.6719   16.706   6.4456 3.112474 9.276870 
1 1 1    4    8   30 o   11.374   4.8340   0.3172   1.5060   0.2920   2.1245   0.3427   2.1352   12.985   5.6324   13.085   5.6613 -0.1004076 7.985836 
1 1 1    4    8   31 o   16.661   5.8265   2.5621   1.8770   1.8398   2.5874   3.3644   2.7272   15.865   6.5061   18.581   6.9480 -2.716315 9.518602 
1 1 1    4    8   32 o   12.863   4.8795   1.2922   1.3559   3.1108   1.9208  -0.5138   1.9142   17.764   5.9004   10.988   5.0117 6.776440 7.741547 
1 1 1    4    8   33 f   12.374   4.6353   1.3046   1.2149   3.3827   1.7111  -0.8079   1.7252   18.036   5.5252   9.8167   4.5761 8.219766 7.174181 
1 1 1    4    9    0 o   62.242   2.3386   30.532   2.2769   30.532   2.2769   30.532   2.2769   62.242   2.3386   62.242   2.3386 0.000000 0.000000 
1 1 1    4    9    1 o  148.564   1.2822  173.198   2.9892  168.893   4.1890  177.665   4.2669  146.699   1.8196  150.460   1.8071 -3.761490 2.564498 
1 1 1    4    9    2 o  139.220   1.4345  152.101   3.1342  155.742   4.3024  147.985   4.5749  140.869   1.9462  137.314   2.1231 3.555481 2.880123 
1 1 1    4    9    3 o  216.039   1.3468  366.256   4.5659  368.860   6.4798  363.688   6.4347  216.794   1.9046  215.269   1.9048 1.525238 2.693643 
1 1 1    4    9    4 o  177.740   1.3624  247.909   3.8001  254.065   5.2352  241.053   5.5248  179.926   1.8541  175.255   2.0088 4.670776 2.733686 
1 1 1    4    9    5 o  244.856   1.4024  470.481   5.3889  464.023   7.5669  477.128   7.6765  243.158   1.9830  246.567   1.9839 -3.409622 2.805032 
1 1 1    4    9    6 o   29.941   3.4072   7.1286   1.5724   7.7043   2.2097   6.5380   2.2381   30.971   4.6934   28.403   5.2132 2.567629 7.014640 
1 1 1    4    9    7 o  131.202   1.3631  135.080   2.8065  134.562   3.9887  135.587   3.9495  130.945   1.9411  131.443   1.9147 -0.4980927 2.726501 
1 1 1    4    9    8 o  195.565   1.3595  300.114   4.1722  296.569   5.8741  303.724   5.9270  194.400   1.9255  196.731   1.9198 -2.331421 2.719039 
1 1 1    4    9    9 o  555.902   2.2790  2425.19   19.882  2395.82   27.752  2456.15   28.496  552.482   3.2009  559.391   3.2461 -6.909485 4.558839 
1 1 1    4    9   10 o  246.732   1.4305  477.700   5.5388  476.661   7.8409  478.735   7.8252  246.455   2.0273  246.991   2.0189 -0.5358582 2.861090 
1 1 1    4    9   11 o  125.317   1.7664  123.239   3.4739  121.113   5.1375  125.030   4.7153  124.223   2.6354  126.219   2.3806 -1.996010 3.551381 
1 1 1    4    9   12 o   58.533   2.2064   26.927   2.0231   25.239   2.9843   28.362   2.7519   56.600   3.3752   60.038   2.9296 -3.437801 4.469248 
1 1 1    4    9   13 o  137.641   1.5051  148.670   3.2510  149.003   4.5724  148.330   4.6232  137.788   2.1146  137.476   2.1429 0.3115387 3.010565 
1 1 1    4    9   14 o  223.519   1.5156  392.079   5.3161  392.882   7.4815  391.260   7.5553  223.731   2.1309  223.268   2.1563 0.4632111 3.031561 
1 1 1    4    9   15 o  196.252   1.8599  302.310   5.7281  312.186   8.7141  294.796   7.6011  199.390   2.7849  193.771   2.4997 5.618576 3.742203 
1 1 1    4    9   16 o  197.102   1.6050  304.950   4.9645  308.201   7.0200  301.698   7.0218  198.112   2.2580  196.009   2.2828 2.103012 3.210842 
1 1 1    4    9   17 o  218.089   1.5075  373.393   5.1592  375.356   7.3139  371.450   7.2787  218.605   2.1320  217.465   2.1328 1.140656 3.015676 
1 1 1    4    9   18 f  130.684   1.5005  134.091   3.0772  136.722   4.3750  131.515   4.3291  131.918   2.1133  129.380   2.1322 2.537704 3.002060 
1 1 1    4    9   19 o   52.216   2.3505   21.479   1.9211   20.234   2.7409   22.682   2.6934   50.553   3.4762   53.570   3.2187 -3.016861 4.737496 
1 1 1    4    9   20 o   63.909   1.9143   32.130   1.9177   29.288   2.7376   34.869   2.6872   60.913   2.8720   66.512   2.5794 -5.598434 3.860253 
1 1 1    4    9   21 o   30.462   3.4495   7.4211   1.6200   8.6139   2.3210   6.2880   2.2621   32.618   4.6672   27.626   5.4116 4.992136 7.146243 
1 1 1    4    9   22 o   93.804   1.5436   69.155   2.2723   68.898   3.2554   69.399   3.1733   93.550   2.2175   93.898   2.1535 -0.3481293 3.091076 
1 1 1    4    9   23 o   36.098   2.9949   10.374   1.6813   12.356   2.3081   8.1337   2.4541   39.259   3.7936   31.452   5.1502 7.807293 6.396550 
1 1 1    4    9   24 o   62.863   2.0065   31.182   1.9770   31.368   2.8709   31.015   2.7264   62.854   2.9185   62.533   2.7852 0.3217583 4.034265 
1 1 1    4    9   25 o   17.065   4.9189   2.4217   1.3893   3.6866   2.0022   1.2475   1.9292   20.852   5.8710   14.892   5.7766 5.960267 8.236321 
1 1 1    4    9   26 o   9.2781   4.1912  -0.6300   1.2996  -1.7646   1.9008   0.3660   1.7808   10.146   4.7535   12.717   5.3221 -2.571612 7.135874 
1 1 1    4    9   27 o   22.878   3.7927   4.3330   1.3140   2.8622   1.9171   5.6359   1.8045   18.459   5.8781   25.885   4.6112 -7.425989 7.470987 
1 1 1    4    9   28 o   33.408   4.1339   9.2703   2.1211   8.3393   3.0371   10.157   2.9635   30.461   6.5484   34.180   5.7274 -3.719118 8.699665 
1 1 1    4    9   29 o   15.743   5.5670   2.0243   1.7170   3.4072   2.4728   0.7372   2.3858   19.470   6.6940   14.446   6.1094 5.023719 9.062823 
1 1 1    4    9   30 o   10.695   4.7751  -0.2905   1.6328  -2.9376   2.2992   2.4027   2.3192   9.9741   4.8227   16.841   6.3833 -6.866493 8.000335 
1 1 1    4    9   31 o   15.328   5.3407   2.1118   1.5763   0.1690   2.2098   4.1241   2.2490   12.693   5.6174   20.202   6.3584 -7.508844 8.484353 
1 1 1    4    9   32 o   16.656   5.6452   2.6956   1.7575   2.1376   2.4684   3.2694   2.5028   15.810   6.4028   17.863   6.6608 -2.053374 9.239174 
1 1 1    4    9   33 o   9.4845   4.3306  -0.3320   1.4340   0.0459   2.0208  -0.7154   2.0353   11.432   5.1891   10.593   4.9486 0.8394194 7.170444 
1 1 1    4   10    0 o  177.331   2.3217  246.908   6.4586  246.908   6.4586  246.908   6.4586  177.331   2.3217  177.331   2.3217 0.000000 0.000000 
1 1 1    4   10    1 o  268.512   1.4608  565.788   6.1556  563.231   8.6811  568.373   8.7298  267.889   2.0650  269.109   2.0671 -1.219940 2.921831 
1 1 1    4   10    2 o   59.110   1.9144   27.449   1.7735   29.142   2.5314   25.817   2.4855   60.874   2.6562   57.282   2.7731 3.591534 3.840026 
1 1 1    4   10    3 o   30.211   3.3023   7.2511   1.5402   8.6817   2.1885   5.8473   2.1679   32.965   4.3354   26.808   5.3408 6.157372 6.878919 
1 1 1    4   10    4 o  182.631   1.3482  261.736   3.8640  256.426   5.4198  267.225   5.5105  180.761   1.9106  184.528   1.9029 -3.767151 2.696565 
1 1 1    4   10    5 o  311.958   1.7404  763.704   8.5201  780.032   11.768  745.717   12.351  315.258   2.3787  308.240   2.5534 7.018127 3.489719 
1 1 1    4   10    6 o  461.677   1.9849  1672.70   14.381  1665.69   20.260  1679.81   20.416  460.674   2.8025  462.623   2.8121 -1.948242 3.970149 
1 1 1    4   10    7 o  190.250   1.3881  284.025   4.1443  289.210   5.9175  279.032   5.8059  191.973   1.9642  188.565   1.9620 3.408234 2.776273 
1 1 1    4   10    8 o  335.646   1.7510  884.059   9.2231  866.901   12.839  902.353   13.257  332.356   2.4617  339.083   2.4914 -6.726929 3.502452 
1 1 1    4   10    9 o   81.298   1.9449   51.866   2.4813   56.136   3.4018   47.012   3.6273   84.534   2.5673   77.336   2.9945 7.198944 3.944321 
1 1 1    4   10   10 o  293.144   1.6479  674.345   7.5807  654.557   10.504  695.856   10.952  288.797   2.3177  297.768   2.3436 -8.970856 3.296086 
1 1 1    4   10   11 o   90.108   1.7816   63.719   2.5193   67.200   3.5969   60.366   3.5297   92.498   2.4802   87.662   2.5686 4.835823 3.570574 
1 1 1    4   10   12 f  321.806   1.7250  812.701   8.7114  816.278   12.346  809.154   12.294  322.490   2.4395  321.080   2.4399 1.410431 3.450214 
1 1 1    4   10   13 o  125.741   1.5326  124.077   3.0242  123.362   4.4106  124.712   4.1545  125.368   2.2418  126.054   2.1002 -0.6866760 3.071894 
1 1 1    4   10   14 f  209.531   1.4245  344.547   4.6841  345.156   6.6373  343.943   6.6115  209.697   2.0169  209.328   2.0126 0.3686829 2.849333 
1 1 1    4   10   15 o  249.865   1.4789  490.016   5.7989  480.540   8.1218  499.869   8.2824  247.402   2.0919  252.328   2.0916 -4.926590 2.958204 
1 1 1    4   10   16 o   99.500   1.6874   77.727   2.6348   74.877   3.9391   80.033   3.5445   97.589   2.5744  100.944   2.2375 -3.355263 3.410851 
1 1 1    4   10   17 o  123.293   1.4894  119.346   2.8817  121.269   4.1199  117.504   4.0322  124.246   2.1130  122.303   2.1009 1.943367 2.979660 
1 1 1    4   10   18 o  171.948   1.4560  232.150   3.9288  235.741   5.4985  228.403   5.6156  173.217   2.0228  170.491   2.0989 2.725922 2.914939 
1 1 1    4   10   19 o   65.207   2.2743   33.474   2.3237   34.921   3.2949   32.042   3.2776   66.502   3.1663   63.678   3.2911 2.824120 4.566932 
1 1 1    4   10   20 o   51.660   2.6410   21.069   2.1340   21.161   3.0727   20.983   2.9659   51.602   3.8215   51.404   3.7014 0.1982422 5.320226 
1 1 1    4   10   21 o   81.237   1.8341   51.889   2.3382   50.740   3.3828   52.941   3.2355   80.192   2.6919   81.943   2.5190 -1.751213 3.686718 
1 1 1    4   10   22 o   71.602   2.1167   40.400   2.3758   43.336   3.7293   38.394   3.0822   73.957   3.2209   69.684   2.8244 4.273422 4.283862 
1 1 1    4   10   23 o   96.682   1.7363   73.564   2.6343   71.397   3.6982   75.796   3.7534   95.068   2.4810   97.995   2.4407 -2.927002 3.480247 
1 1 1    4   10   24 o   14.096   5.3097   1.2279   1.5989   0.3906   2.2778   2.0412   2.2449   14.286   6.0016   17.231   6.3294 -2.944356 8.722412 
1 1 1    4   10   25 o   37.159   2.8962   11.041   1.6755   10.319   2.3277   11.818   2.4138   35.528   4.2598   38.105   4.1010 -2.577629 5.913083 
1 1 1    4   10   26 o   34.055   3.5853   9.4164   1.8874   11.397   2.8798   7.9251   2.4989   36.913   5.1081   30.560   5.4084 6.352703 7.439365 
1 1 1    4   10   27 o   24.599   3.9586   5.0271   1.4763   8.9904   2.1197   1.2942   2.0572   32.962   4.1926   15.060   5.9290 17.90241 7.261587 
1 1 1    4   10   28 o   11.255   4.5934   0.4985   1.2821  -1.3025   1.8743   2.0821   1.7576   10.423   4.8281   16.116   5.6379 -5.693316 7.422696 
1 1 1    4   10   29 o   22.759   3.3719   4.3311   1.1679   4.4488   1.8628   4.2548   1.4991   22.125   5.4108   22.069   4.4818 0.5578995E-01 7.025947 
1 1 1    4   10   30 o   12.614   5.4847   0.3178   2.0246  -0.0873   2.8600   0.7247   2.8664   13.887   6.2504   14.840   6.4879 -0.9524288 9.008948 
1 1 1    4   10   31 o   11.781   5.0458   0.4478   1.6638  -0.5458   2.3466   1.4523   2.3595   12.074   5.5230   14.771   6.1497 -2.697695 8.265746 
1 1 1    4   10   32 o   12.189   5.0878   0.8385   1.6210   0.5260   2.2864   1.1544   2.2985   12.977   5.7297   13.879   5.9373 -0.9019508 8.251138 
1 1 1    4   10   33 o   10.164   4.5523   0.0728   1.4965  -1.0108   2.0976   1.1960   2.1357   10.314   4.8815   12.999   5.6428 -2.685596 7.461218 
1 1 1    4   11    0 o  300.685   2.5465  709.671   12.014  709.671   12.014  709.671   12.014  300.685   2.5465  300.685   2.5465 -0.000000 0.000000 
1 1 1    4   11    1 o  221.152   1.8998  383.820   6.5932  381.896   8.8824  386.182   9.8394  220.583   2.5660  221.810   2.8267 -1.227615 3.817647 
1 1 1    4   11    2 o  259.265   1.7021  527.494   6.9251  534.420   9.8742  520.789   9.7150  260.945   2.4113  257.596   2.4032 3.349335 3.404372 
1 1 1    4   11    3 o  343.997   1.9204  928.646   10.367  915.643   14.518  942.174   14.808  341.555   2.7085  346.467   2.7235 -4.912415 3.841051 
1 1 1    4   11    4 o  237.222   1.7491  441.607   6.5115  443.408   8.8255  439.455   9.6463  237.693   2.3660  236.626   2.5977 1.067032 3.513703 
1 1 1    4   11    5 f  172.773   1.6896  234.247   4.5809  221.330   6.7142  245.496   6.2658  167.932   2.5478  176.866   2.2575 -8.934464 3.404022 
1 1 1    4   11    6 o  451.121   2.1067  1597.08   14.915  1587.27   21.030  1607.02   21.156  449.700   2.9799  452.489   2.9793 -2.789001 4.213794 
1 1 1    4   11    7 o  174.388   1.5125  238.639   4.1392  238.172   5.9272  239.083   5.7828  174.210   2.1681  174.544   2.1112 -0.3336792 3.026149 
1 1 1    4   11    8 f  345.729   1.7991  937.987   9.7608  946.590   13.948  929.729   13.665  347.292   2.5592  344.186   2.5298 3.106079 3.598538 
1 1 1    4   11    9 o  504.372   2.2818  1996.47   18.060  2000.31   25.632  1992.68   25.451  504.808   3.2356  503.845   3.2189 0.9631042 4.564028 
1 1 1    4   11   10 o  185.526   1.5360  270.106   4.4721  267.550   6.3858  272.566   6.2650  184.636   2.2039  186.360   2.1422 -1.723984 3.073468 
1 1 1    4   11   11 o  114.702   1.7361  103.248   3.1251  104.706   4.2468  101.527   4.6152  115.502   2.3430  113.731   2.5859 1.770485 3.489465 
1 1 1    4   11   12 o  386.682   1.7996  1173.46   10.920  1154.42   15.255  1193.47   15.638  383.495   2.5349  389.926   2.5557 -6.430939 3.599594 
1 1 1    4   11   13 o   62.865   2.2206   31.061   2.1873   32.565   3.1199   29.606   3.0674   64.323   3.0999   61.317   3.1988 3.005825 4.454413 
1 1 1    4   11   14 o  155.194   1.4658  189.033   3.5700  188.623   5.0622  189.440   5.0354  155.006   2.0810  155.342   2.0656 -0.3359985 2.932115 
1 1 1    4   11   15 o   74.698   1.9541   43.841   2.2887   44.959   3.2612   42.757   3.2128   75.595   2.7537   73.716   2.7822 1.878983 3.914526 
1 1 1    4   11   16 o  209.740   1.4650  345.354   4.8221  340.995   6.8082  349.742   6.8309  208.357   2.0822  211.014   2.0628 -2.657516 2.930987 
1 1 1    4   11   17 o  132.584   1.5092  138.025   3.1401  137.329   4.4438  138.720   4.4377  132.203   2.1419  132.872   2.1282 -0.6691742 3.019478 
1 1 1    4   11   18 o   75.104   1.9498   44.352   2.2961   45.035   3.2371   43.661   3.2574   75.604   2.7328   74.434   2.7936 1.170189 3.908009 
1 1 1    4   11   19 o   61.872   2.1293   30.136   2.0644   32.948   2.9668   27.498   2.8743   64.604   2.9340   58.984   3.1163 5.620384 4.280123 
1 1 1    4   11   20 o   53.663   2.4025   22.715   2.0181   23.892   2.8547   21.539   2.8533   54.909   3.3285   52.095   3.5106 2.813721 4.837709 
1 1 1    4   11   21 o   52.433   2.4676   21.708   2.0247   23.110   2.8593   20.299   2.8675   53.955   3.3942   50.506   3.6424 3.448219 4.978686 
1 1 1    4   11   22 o   28.531   5.1360   6.7201   2.2150   4.9149   3.2234   8.3352   3.0489   24.393   7.6026   31.515   6.3839 -7.121796 9.927485 
1 1 1    4   11   23 o   30.945   4.8255   7.8782   2.2670   9.8644   3.1755   5.8140   3.2373   34.283   6.1273   26.053   7.5084 8.230011 9.691266 
1 1 1    4   11   24 o   30.718   3.9829   7.6868   1.8748   10.374   2.7686   5.4109   2.5479   35.381   5.1363   25.067   6.4423 10.31421 8.239269 
1 1 1    4   11   25 f   12.093   5.1173   0.1987   1.6755   0.2923   2.3407   0.1004   2.3994   14.186   6.0276   14.061   6.0417 0.1249304 8.534269 
1 1 1    4   11   26 o   9.2510   4.3608  -1.6842   1.6429  -1.2268   2.3224  -2.1424   2.3244   12.071   5.5115   11.131   5.2283 0.9403934 7.596806 
1 1 1    4   11   27 o   41.462   2.7493   13.805   1.7788   12.186   2.5444   15.352   2.4878   38.310   4.3066   43.348   3.6922 -5.037525 5.672675 
1 1 1    4   11   28 o   22.765   5.2064   4.5805   1.8195   3.7752   2.6384   5.3109   2.5125   20.453   6.9168   23.941   6.5150 -3.487637 9.502016 
1 1 1    4   11   29 o   14.299   5.0597   1.6789   1.4185   2.5297   2.0697   0.9252   1.9479   17.008   6.1016   13.590   5.6164 3.418284 8.293025 
1 1 1    4   11   30 o   10.146   4.3396   0.2116   1.2275   1.3063   1.8391  -0.6680   1.6485   13.836   5.5537   10.108   4.6257 3.728311 7.227743 
1 1 1    4   11   31 o   9.5474   4.5931  -2.2121   2.0229  -4.3689   2.8445  -0.0048   2.8775   10.220   5.0308   13.644   6.1925 -3.423773 7.978486 
1 1 1    4   11   32 o   12.271   5.6210  -0.1024   2.4417  -1.5487   3.5179   1.2420   3.3917   12.826   6.1405   14.923   6.7532 -2.096930 9.127518 
1 1 1    4   11   33 o   14.252   5.4914   2.1418   1.7348   2.2218   2.4315   2.0589   2.4759   14.521   6.1555   14.301   6.1408 0.2200289 8.694862 
1 1 1    4   12    0 o   55.211   3.4457   24.202   2.9585   24.202   2.9585   24.202   2.9585   55.211   3.4457   55.211   3.4457 0.000000 0.000000 
1 1 1    4   12    1 o  212.897   1.4403  355.671   4.8121  347.970   6.7396  363.678   6.8729  210.572   2.0395  215.272   2.0344 -4.700424 2.880728 
1 1 1    4   12    2 o  152.487   1.4486  182.462   3.4665  186.794   4.9185  178.186   4.8865  154.281   2.0315  150.684   2.0665 3.597076 2.897790 
1 1 1    4   12    3 o  331.267   1.7715  861.150   9.2091  867.679   13.120  854.810   12.929  332.502   2.5145  330.028   2.4964 2.474487 3.543202 
1 1 1    4   12    4 o   58.331   2.4877   26.752   2.2720   26.461   3.2846   27.019   3.1461   57.945   3.6303   58.569   3.4380 -0.6235313 4.999919 
1 1 1    4   12    5 o   75.550   2.1053   44.828   2.4937   44.235   3.5427   45.410   3.5106   75.012   3.0157   76.006   2.9489 -0.9945221 4.217861 
1 1 1    4   12    6 o  331.499   1.7852  862.357   9.2868  877.922   13.338  847.711   12.938  334.459   2.5412  328.655   2.5086 5.804077 3.570796 
1 1 1    4   12    7 o   34.661   4.2654   9.5752   2.2713   5.7062   3.2894   13.100   3.1399   26.606   7.5369   40.531   5.0455 -13.92462 9.069827 
1 1 1    4   12    8 o  260.644   1.6447  533.111   6.7272  540.147   9.6445  526.443   9.3881  262.344   2.3426  258.995   2.3098 3.348419 3.289843 
1 1 1    4   12    9 o  226.449   1.4943  402.404   5.3102  409.350   7.5910  395.749   7.4311  228.383   2.1180  224.557   2.1087 3.826050 2.988772 
1 1 1    4   12   10 f  216.420   1.4832  367.552   5.0374  372.853   7.1949  362.456   7.0550  217.962   2.1035  214.902   2.0919 3.059967 2.966618 
1 1 1    4   12   11 o  166.837   1.5315  218.435   4.0096  214.901   5.8214  221.624   5.5307  165.468   2.2419  168.040   2.0973 -2.571579 3.069941 
1 1 1    4   12   12 o   87.787   2.0051   60.489   2.7624   60.256   3.8559   60.734   3.9593   87.559   2.8098   87.903   2.8741 -0.3437119 4.019352 
1 1 1    4   12   13 o  320.241   1.7753  804.978   8.9220  803.808   12.556  806.171   12.681  319.952   2.5006  320.420   2.5218 -0.4681091 3.551410 
1 1 1    4   12   14 o  117.096   1.8609  107.649   3.4195  103.969   5.0640  110.734   4.6361  115.035   2.8052  118.735   2.4881 -3.700195 3.749609 
1 1 1    4   12   15 o  125.767   1.8136  124.205   3.5794  126.278   5.1066  122.202   5.0187  126.764   2.5670  124.701   2.5645 2.062370 3.628569 
1 1 1    4   12   16 o  105.063   1.9241   86.704   3.1724   79.918   4.4458   93.744   4.5282  100.768   2.8141  109.195   2.6425 -8.426224 3.860333 
1 1 1    4   12   17 o  110.575   1.9100   96.062   3.3144   97.229   4.7266   94.933   4.6488  111.173   2.7092  109.854   2.6966 1.319420 3.822502 
1 1 1    4   12   18 o  140.868   1.7747  155.918   3.9233  156.446   5.5360  155.385   5.5609  141.011   2.5017  140.529   2.5216 0.4821014 3.552016 
1 1 1    4   12   19 o   81.088   2.0486   51.741   2.6048   45.834   3.5584   58.560   3.8235   76.191   2.9818   86.160   2.8317 -9.968910 4.112113 
1 1 1    4   12   20 o   13.110   5.5531   0.1162   1.9764  -1.8113   2.6904   2.3758   2.9129   12.864   5.8954   19.305   7.1883 -6.441669 9.296568 
1 1 1    4   12   21 o   28.950   5.7253   6.9651   2.5089   8.1039   3.5171   5.7851   3.5800   30.901   7.3587   26.334   7.9769 4.566483 10.85272 
1 1 1    4   12   22 o   32.767   4.1370   8.6976   2.0799   9.9813   2.7532   6.9909   3.1745   34.847   5.1930   28.588   7.1065 6.258785 8.801636 
1 1 1    4   12   23 o   36.686   3.5136   10.821   1.9981   11.953   2.8172   9.6743   2.8344   38.195   4.8063   34.081   5.4858 4.113796 7.293501 
1 1 1    4   12   24 o   44.335   2.7568   15.666   1.9086   14.246   2.7180   17.048   2.6806   41.839   4.1963   45.961   3.7490 -4.122673 5.627054 
1 1 1    4   12   25 o   32.199   3.6782   8.4409   1.8253   10.286   2.5971   6.6400   2.5658   35.158   4.8351   27.673   6.0752 7.484715 7.764387 
1 1 1    4   12   26 o   31.593   4.0991   8.2467   1.9844   10.533   2.7610   5.8042   2.8540   35.302   5.1342   25.393   6.9574 9.909010 8.646717 
1 1 1    4   12   27 f   12.931   5.2581   0.7422   1.6725   2.3388   2.3764  -0.8245   2.3542   17.500   6.4972   12.475   5.6377 5.025232 8.602165 
1 1 1    4   12   28 o   18.649   5.3414   3.1274   1.6431   1.9607   2.3617   4.2220   2.2876   16.380   6.3808   21.237   6.3642 -4.856657 9.012074 
1 1 1    4   12   29 o   23.320   4.5277   4.8326   1.5972   4.3985   2.2758   5.2541   2.2423   21.176   6.3481   23.329   6.0681 -2.153030 8.781817 
1 1 1    4   12   30 o   15.019   5.4736   1.9822   1.6738   3.0319   2.3971   0.9835   2.3383   17.670   6.5318   14.043   5.9975 3.626439 8.867605 
1 1 1    4   12   31 o   20.036   4.3048   3.6665   1.3132   2.1731   1.9003   5.0314   1.8167   15.391   5.7905   22.890   5.1790 -7.499001 7.768613 
1 1 1    4   12   32 o   11.199   4.9995   0.2529   1.7895  -0.7941   2.4994   1.3541   2.5633   11.442   5.3890   13.841   6.0908 -2.399413 8.132622 
1 1 1    4   13    0 o   7.9839   5.6626  -3.9575   2.9794  -3.9575   2.9794  -3.9575   2.9794   7.9839   5.6626   7.9839   5.6626 -0.000000 0.000000 
1 1 1    4   13    1 o  112.902   1.6879  100.029   2.9907  107.118   4.2831   93.284   4.1778  116.830   2.3361  109.024   2.4418 7.805450 3.379352 
1 1 1    4   13    2 o  287.133   1.8591  646.981   8.3771  656.868   10.965  633.118   12.983  289.307   2.4151  284.016   2.9130 5.290741 3.783941 
1 1 1    4   13    3 o  340.318   1.7098  908.841   9.1315  919.075   13.041  898.998   12.790  342.211   2.4284  338.454   2.4081 3.757751 3.419926 
1 1 1    4   13    4 o  310.978   1.6484  758.887   8.0447  764.643   11.447  753.270   11.308  312.141   2.3369  309.811   2.3259 2.329651 3.297061 
1 1 1    4   13    5 o  265.304   1.5710  552.336   6.5408  546.685   9.2035  558.103   9.2974  263.932   2.2221  266.674   2.2216 -2.742126 3.142180 
1 1 1    4   13    6 o  289.097   1.6203  655.857   7.3510  663.183   10.458  648.702   10.335  290.693   2.2924  287.501   2.2907 3.191284 3.240757 
1 1 1    4   13    7 o  298.214   1.8819  697.911   8.8073  704.527   13.816  693.383   11.431  299.590   2.9387  297.228   2.4507 2.361511 3.826425 
1 1 1    4   13    8 o  423.555   2.0629  1407.96   13.712  1399.52   19.359  1416.45   19.423  422.239   2.9216  424.786   2.9137 -2.546356 4.126165 
1 1 1    4   13    9 o   53.994   2.9438   22.953   2.4849   22.608   3.6105   23.264   3.4253   53.476   4.3395   54.277   4.0506 -0.8002663 5.936253 
1 1 1    4   13   10 o  220.345   1.6229  381.028   5.6118  379.045   7.9909  382.958   7.8826  219.752   2.3172  220.885   2.2740 -1.132645 3.246619 
1 1 1    4   13   11 o  199.687   1.6178  312.948   5.0696  310.464   7.2070  315.380   7.1325  198.870   2.3093  200.440   2.2675 -1.569794 3.236436 
1 1 1    4   13   12 o  233.126   1.7135  426.586   6.2687  434.265   8.6896  418.253   9.0519  235.180   2.3545  230.795   2.4992 4.385773 3.433613 
1 1 1    4   13   13 o   31.396   4.9815   7.9545   2.3725   7.2987   3.3174   8.6412   3.3942   29.785   7.1817   32.457   6.8779 -2.672274 9.943914 
1 1 1    4   13   14 o  127.699   1.8566  128.053   3.7205  127.652   5.2279  128.466   5.2959  127.450   2.6138  127.854   2.6395 -0.4036789 3.714727 
1 1 1    4   13   15 o   53.754   3.0769   22.806   2.5848   22.759   3.6481   22.854   3.6627   53.538   4.3804   53.648   4.3888 -0.1101799 6.200785 
1 1 1    4   13   16 o  118.957   1.8408  111.162   3.4364  108.464   4.9954  113.586   4.7347  117.426   2.7108  120.188   2.5103 -2.761627 3.694606 
1 1 1    4   13   17 o   69.119   2.2929   37.609   2.4837   38.675   3.4404   36.449   3.5892   69.993   3.1402   67.912   3.3784 2.080818 4.612368 
1 1 1    4   13   18 o   89.342   1.9738   62.755   2.7673   59.848   3.8132   65.991   4.0224   87.118   2.7928   91.482   2.8052 -4.363953 3.958346 
1 1 1    4   13   19 o   52.626   2.8219   21.897   2.3220   22.114   3.1918   21.653   3.3842   52.709   3.8860   52.097   4.1743 0.6125336 5.703114 
1 1 1    4   13   20 o   30.067   4.6653   7.3658   2.1300   9.8645   2.9403   4.6067   3.0897   34.659   5.5966   23.787   7.4479 10.87129 9.316266 
1 1 1    4   13   21 o   32.079   4.9353   8.4331   2.4051   16.198   3.6982   2.7421   3.1660   44.543   5.4008   20.216   7.5004 24.32613 9.242603 
1 1 1    4   13   22 o   16.121   5.8242   1.8151   1.8897   0.4575   2.6792   3.1590   2.6656   15.461   6.5029   20.191   6.9497 -4.730032 9.517699 
1 1 1    4   13   23 o   30.636   4.6013   7.7422   2.1439   9.0073   2.9918   6.4069   3.0737   32.565   6.0778   27.094   7.1326 5.471046 9.370893 
1 1 1    4   13   24 o   17.055   5.9690   2.2279   1.9702   3.4697   2.8927   1.1532   2.6909   20.761   7.2348   16.336   6.6595 4.424706 9.833152 
1 1 1    4   13   25 o   30.944   4.4357   7.9595   2.0925   9.1879   2.9667   6.7433   2.9518   32.587   6.0231   27.483   6.8646 5.103771 9.132406 
1 1 1    4   13   26 o   20.067   5.8802   3.5260   1.9707   1.3809   2.8077   5.6087   2.7667   16.630   6.7937   24.846   6.8670 -8.215284 9.659766 
1 1 1    4   13   27 o   12.938   5.4945   0.3905   1.9433   0.1005   2.8565   0.6404   2.6516   14.726   6.4564   14.990   6.3938 -0.2642050 9.086588 
1 1 1    4   13   28 o   15.383   5.8986   1.7995   1.9950   3.9013   2.8261  -0.2882   2.8167   20.181   7.1417   13.819   6.2128 6.361509 9.465859 
1 1 1    4   13   29 o   30.475   4.0614   8.0713   1.8940   6.7110   2.8450   9.1541   2.5383   25.423   6.9386   31.451   5.3331 -6.028431 8.751377 
1 1 1    4   13   30 o   14.524   5.4537   1.8056   1.6839   1.5872   2.4019   2.0168   2.3614   14.957   6.2140   15.623   6.2855 -0.6663694 8.838588 
1 1 1    4   13   31 o   15.625   5.2563   2.3878   1.5237   3.0818   2.1914   1.7383   2.1199   17.111   6.2587   14.467   5.9058 2.643660 8.605285 
1 1 1    4   13   32 o   8.7495   4.0587  -0.5427   1.3314  -1.6561   1.9299   0.4683   1.8391   9.2726   4.4673   11.416   5.0843 -2.143694 6.768072 
1 1 1    4   14    0 f  201.435   3.1408  318.672   9.9231  318.672   9.9231  318.672   9.9231  201.435   3.1408  201.435   3.1408 0.000000 0.000000 
1 1 1    4   14    1 o   76.764   3.2694   46.339   3.9295   45.574   5.5354   47.116   5.5790   76.039   4.6612   77.322   4.6188 -1.283508 6.562051 
1 1 1    4   14    2 o  264.194   2.0160  547.761   8.3583  543.990   11.850  551.494   11.791  263.263   2.8682  265.073   2.8346 -1.810272 4.032560 
1 1 1    4   14    3 o   58.306   3.4901   26.783   3.1788   23.021   4.5206   30.463   4.4709   53.863   5.4217   62.111   4.6200 -8.247833 7.123154 
1 1 1    4   14    4 o  271.122   1.8525  576.858   7.8820  580.774   11.186  572.996   11.108  272.021   2.6205  270.193   2.6196 1.827637 3.705305 
1 1 1    4   14    5 o   35.236   4.6484   9.9207   2.5078   7.1370   3.4600   13.002   3.6400   29.551   7.4609   40.243   5.9422 -10.69194 9.538089 
1 1 1    4   14    6 o   94.654   2.2788   70.318   3.3850   66.656   4.3568   75.894   5.3765   92.097   3.0186   98.256   3.4924 -6.158409 4.616164 
1 1 1    4   14    7 o  275.936   1.8491  597.544   8.0070  607.781   12.447  590.317   10.458  278.255   2.8504  274.244   2.4301 4.011017 3.745663 
1 1 1    4   14    8 o  192.856   1.5595  291.881   4.7198  296.368   6.7144  287.497   6.6360  194.319   2.2018  191.389   2.2095 2.930435 3.119258 
1 1 1    4   14    9 o  106.637   1.8365   89.248   3.0734   92.352   4.3908   86.267   4.3033  108.463   2.5797  104.828   2.6159 3.635010 3.673896 
1 1 1    4   14   10 f   80.304   2.1046   50.656   2.6500   52.671   3.7474   48.641   3.7478   81.846   2.9223   78.641   3.0426 3.204735 4.218629 
1 1 1    4   14   11 o  110.265   1.7372   95.437   3.0061   92.571   4.2385   98.337   4.2642  108.576   2.4875  111.908   2.4281 -3.332245 3.476132 
1 1 1    4   14   12 o   87.545   1.9376   60.176   2.6620   61.679   3.7411   58.634   3.7887   88.565   2.6949   86.341   2.7999 2.223663 3.886082 
1 1 1    4   14   13 o  152.978   1.5659  183.730   3.7593  181.224   5.2978  186.270   5.3354  151.888   2.2226  153.989   2.2078 -2.101395 3.132823 
1 1 1    4   14   14 o  108.454   1.7527   92.372   2.9831   91.051   4.1940   93.725   4.2439  107.629   2.4831  109.199   2.4765 -1.569572 3.506966 
1 1 1    4   14   15 o  130.572   1.6407  133.896   3.3619  131.696   4.7657  136.075   4.7431  129.434   2.3463  131.573   2.2971 -2.139343 3.283569 
1 1 1    4   14   16 o  134.650   1.6434  142.420   3.4726  144.660   4.9613  140.268   4.8622  135.630   2.3309  133.557   2.3199 2.073502 3.288626 
1 1 1    4   14   17 o   33.560   4.2358   9.0527   2.1812   10.841   3.1442   7.3937   3.0284   36.470   5.6786   29.809   6.6436 6.660248 8.739776 
1 1 1    4   14   18 o   45.974   3.1819   16.761   2.2815   11.810   3.1547   22.189   3.3034   38.107   5.4286   52.780   4.0184 -14.67308 6.754112 
1 1 1    4   14   19 o   22.175   6.3707   4.0626   2.3340   3.9822   3.3446   4.1388   3.2586   22.813   7.7867   23.020   7.6862 -0.2065601 10.94125 
1 1 1    4   14   20 o   28.033   5.5010   6.5302   2.3335   8.3640   3.3344   4.7699   3.2669   31.435   6.9446   24.142   7.6716 7.293686 10.34801 
1 1 1    4   14   21 o   28.704   5.1780   6.8391   2.2467   6.5866   3.1921   7.0871   3.1627   27.685   7.2593   28.741   7.0632 -1.055332 10.12850 
1 1 1    4   14   22 o   10.787   4.9711  -1.3913   1.9497  -1.0278   2.7403  -1.7639   2.7746   13.666   6.1371   12.983   5.9638 0.6825037 8.557537 
1 1 1    4   14   23 o   45.506   3.4438   16.655   2.4410   13.966   3.3024   19.893   3.6242   40.978   5.2564   49.240   4.7490 -8.262512 7.083936 
1 1 1    4   14   24 o   34.771   3.8967   9.8782   2.0898   8.1784   2.9536   11.582   2.9571   30.626   6.3539   37.142   5.2171 -6.515820 8.221275 
1 1 1    4   14   25 o   13.734   5.6627   0.6946   1.9737   1.5065   2.7642  -0.1499   2.8192   16.829   6.7899   14.625   6.4131 2.204186 9.339736 
1 1 1    4   14   26 o   26.474   4.9155   6.0326   1.9670   6.3697   2.7942   5.7015   2.7695   26.337   6.7349   24.863   6.8699 1.473946 9.620517 
1 1 1    4   14   27 o   9.9561   4.6739  -1.5441   1.8532  -2.2297   2.6508  -0.8886   2.5920   11.657   5.5085   12.787   5.8323 -1.129871 8.022437 
1 1 1    4   14   28 o   14.048   5.5902   1.3380   1.8471   3.2237   2.6404  -0.4694   2.5850   18.524   6.8538   12.942   5.8721 5.582425 9.025281 
1 1 1    4   14   29 o   10.741   4.9342  -0.7191   1.8999  -4.5004   2.7028   2.9740   2.6712   9.8620   4.8641   17.629   6.8083 -7.766976 8.367351 
1 1 1    4   14   30 o   7.3502   3.6707  -4.0182   1.7366  -2.6992   2.4708  -5.3061   2.4415   10.306   4.9873   8.6910   4.3421 1.615421 6.612632 
1 1 1    4   14   31 o   15.606   5.5277   2.5368   1.6934   2.6346   2.5375   2.4582   2.2738   15.752   6.4496   15.403   6.1778 0.3492107 8.930992 
1 1 1    4   15    0 o  166.893   2.2950  218.704   6.0081  218.704   6.0081  218.704   6.0081  166.893   2.2950  166.893   2.2950 -0.000000 0.000000 
1 1 1    4   15    1 o  253.885   1.6036  505.832   6.3891  497.059   8.9482  514.957   9.1256  251.658   2.2658  256.148   2.2702 -4.490601 3.207424 
1 1 1    4   15    2 o   50.797   3.2423   20.340   2.5712   20.501   3.6279   20.178   3.6446   50.881   4.5929   50.470   4.6540 0.4115181 6.538695 
1 1 1    4   15    3 o  328.578   1.7333  847.266   8.9378  850.983   12.684  843.601   12.596  329.272   2.4547  327.841   2.4483 1.431000 3.466963 
1 1 1    4   15    4 o   72.002   2.4755   40.740   2.7929   42.605   3.9695   38.911   3.9305   73.584   3.4471   70.307   3.5741 3.277512 4.965545 
1 1 1    4   15    5 o  316.740   1.8273  787.338   9.0829  795.599   12.876  779.156   12.814  318.370   2.5772  315.062   2.5917 3.307831 3.655022 
1 1 1    4   15    6 o  128.605   2.1405  129.812   4.3200  135.247   5.8275  123.183   6.4364  131.256   2.8292  125.212   3.2784 6.044182 4.330386 
1 1 1    4   15    7 o  166.780   2.0608  218.322   5.3937  223.927   7.5696  212.542   7.6874  168.884   2.8561  164.531   2.9773 4.353378 4.125769 
1 1 1    4   15    8 o   55.749   3.1387   24.484   2.7349   24.295   3.7797   24.692   3.9622   55.427   4.3810   55.863   4.5593 -0.4359512 6.322968 
1 1 1    4   15    9 o  121.281   1.9040  115.459   3.6238  117.502   5.0407  113.274   5.2134  122.327   2.6258  120.101   2.7661 2.225853 3.813943 
1 1 1    4   15   10 o  105.887   1.9639   88.023   3.2634   88.426   4.5720   87.604   4.6595  106.066   2.7491  105.567   2.8151 0.4986115 3.934763 
1 1 1    4   15   11 o   27.605   5.4602   6.2216   2.2816   5.5089   3.2404   6.9224   3.2132   26.072   7.5115   28.995   7.1156 -2.923355 10.34673 
1 1 1    4   15   12 o  188.551   1.5727  279.124   4.6537  274.153   6.5297  284.255   6.6341  186.809   2.2274  190.220   2.2224 -3.411362 3.146443 
1 1 1    4   15   13 o  118.257   1.7424  109.827   3.2336  110.795   4.6057  108.886   4.5410  118.725   2.4720  117.699   2.4585 1.026016 3.486421 
1 1 1    4   15   14 o  170.789   1.6029  229.074   4.2961  235.165   6.1059  223.101   6.0457  172.972   2.2494  168.472   2.2867 4.500076 3.207627 
1 1 1    4   15   15 o  106.895   1.9616   89.800   3.2905   93.266   4.7991   86.724   4.5205  108.812   2.8128  104.934   2.7475 3.878342 3.931980 
1 1 1    4   15   16 o   67.971   2.5578   36.419   2.7234   38.384   3.9073   34.563   3.7980   69.632   3.5878   66.050   3.6787 3.581757 5.138641 
1 1 1    4   15   17 o  103.448   2.0056   84.165   3.2560   82.080   4.6806   86.119   4.5323  101.983   2.9276  104.497   2.7662 -2.513092 4.027778 
1 1 1    4   15   18 f   42.118   3.8051   14.166   2.4879   12.874   3.5717   15.384   3.4674   39.635   5.9238   43.599   5.1683 -3.964169 7.861469 
1 1 1    4   15   19 o   60.769   2.7579   29.215   2.6232   24.440   3.7427   33.827   3.6777   55.219   4.3542   65.215   3.6076 -9.996174 5.654537 
1 1 1    4   15   20 o   19.597   6.4369   3.0483   2.2881   3.7234   3.3078   2.4290   3.1683   22.078   7.7336   19.627   7.4560 2.451090 10.74248 
1 1 1    4   15   21 o   25.996   5.6752   5.7185   2.2501   3.9531   3.1687   7.5143   3.1958   22.207   7.5792   29.479   7.0111 -7.271416 10.32473 
1 1 1    4   15   22 f   13.773   5.9020   0.1018   2.2784  -1.2344   3.2921   1.3302   3.1564   14.827   6.6869   17.629   7.2027 -2.801849 9.828155 
1 1 1    4   15   23 o   10.862   5.1964  -3.1503   2.5096  -1.3376   3.4026  -5.3129   3.7165   14.887   6.7477   12.651   6.1206 2.235905 9.110073 
1 1 1    4   15   24 o   36.446   4.6390   11.063   2.5932   12.112   3.7792   10.129   3.5649   37.055   6.7475   33.692   6.9724 3.363693 9.702778 
1 1 1    4   15   25 o   12.186   5.5709  -1.1759   2.3827  -0.7845   3.3552  -1.5742   3.3844   15.033   6.7677   14.346   6.5886 0.6871214 9.445164 
1 1 1    4   15   26 o   14.094   5.8583   0.8210   2.1362   0.5146   3.0090   1.1324   3.0331   15.497   6.7125   16.341   6.8986 -0.8445635 9.625429 
1 1 1    4   15   27 o   24.619   5.6017   5.6092   2.1153   4.4170   2.9824   6.8161   3.0007   21.094   7.3465   26.031   7.1347 -4.936743 10.24081 
1 1 1    4   15   28 o   15.600   5.9023   2.0836   1.9807   4.4020   2.7436  -0.4402   2.8625   20.521   7.0511   13.380   6.1128 7.140767 9.331940 
1 1 1    4   15   29 o   9.5708   4.5436  -1.5873   1.8439   1.1677   2.6337  -4.2359   2.5824   14.618   6.3058   9.6538   4.7601 4.963936 7.900714 
1 1 1    4   15   30 o   13.633   5.4718   1.4892   1.7852   0.0848   2.5057   2.9368   2.5439   12.716   5.7744   16.811   6.6008 -4.095226 8.770072 
1 1 1    4   15   31 o   13.153   5.3276   1.5949   1.7094   0.5177   2.4234   2.6616   2.4115   12.387   5.6457   15.291   6.2771 -2.904661 8.442536 
1 1 1    4   16    0 o   43.889   6.5966   16.120   4.2407   16.120   4.2407   16.120   4.2407   43.889   6.5966   43.889   6.5966 0.000000 0.000000 
1 1 1    4   16    1 o  149.052   1.8206  174.357   4.2586  173.872   6.0207  174.842   6.0243  148.831   2.5778  149.245   2.5722 -0.4146881 3.641578 
1 1 1    4   16    2 o  286.238   1.7149  642.997   7.7033  647.687   10.923  638.356   10.865  287.254   2.4231  285.177   2.4279 2.076904 3.430167 
1 1 1    4   16    3 o   95.413   2.2572   71.455   3.3798   70.643   4.8054   72.249   4.7544   94.798   3.2349   95.874   3.1643 -1.076416 4.525204 
1 1 1    4   16    4 o  124.088   1.9202  120.851   3.7392  119.275   5.2852  122.431   5.2908  123.260   2.7323  124.881   2.6997 -1.620941 3.841089 
1 1 1    4   16    5 o  379.128   1.8798  1128.15   11.184  1124.54   15.796  1131.79   15.838  378.467   2.6596  379.686   2.6581 -1.219330 3.760190 
1 1 1    4   16    6 o  150.986   2.0677  178.944   4.8994  173.849   6.7592  184.584   7.1117  148.793   2.8947  153.316   2.9559 -4.522614 4.137203 
1 1 1    4   16    7 o  119.135   2.0030  111.414   3.7448  112.186   4.9836  110.413   5.6757  119.527   2.6569  118.525   3.0540 1.002075 4.047909 
1 1 1    4   16    8 o  250.431   1.6323  492.275   6.4150  489.784   9.0839  494.753   9.0605  249.751   2.3177  251.016   2.3001 -1.265091 3.265299 
1 1 1    4   16    9 o   58.272   2.8216   26.742   2.5726   29.048   3.6181   24.385   3.6585   60.650   3.8208   55.504   4.2322 5.146484 5.701788 
1 1 1    4   16   10 o  106.065   1.8856   88.340   3.1385   83.140   4.3892   93.781   4.4895  102.817   2.7227  109.243   2.6188 -6.426086 3.777701 
1 1 1    4   16   11 o   73.473   2.2784   42.455   2.6238   46.957   3.7760   38.252   3.6486   77.199   3.1233   69.640   3.3484 7.558914 4.578945 
1 1 1    4   16   12 o   62.629   2.5922   30.892   2.5422   30.228   3.5710   31.574   3.6199   61.831   3.6971   63.202   3.6655 -1.370144 5.206185 
1 1 1    4   16   13 o  104.507   1.8885   85.805   3.0972   86.564   4.3955   85.057   4.3649  104.868   2.6731  103.950   2.6780 0.9176636 3.783794 
1 1 1    4   16   14 o   63.511   2.5916   31.791   2.5776   31.538   3.6174   32.053   3.6737   63.116   3.6680   63.626   3.6952 -0.5101318 5.206606 
1 1 1    4   16   15 o   35.964   4.8019   10.440   2.6424   12.840   3.6239   7.7145   3.8613   39.677   6.0080   30.331   7.9990 9.345768 10.00399 
1 1 1    4   16   16 o   49.662   3.6247   19.601   2.8055   22.586   3.8513   16.227   4.0949   53.119   4.6675   44.638   5.9973 8.480770 7.599549 
1 1 1    4   16   17 o   70.167   2.8358   38.904   3.1162   38.847   4.2494   38.970   4.5835   69.902   3.8890   69.939   4.1954 -0.3649139E-01 5.720685 
1 1 1    4   16   18 o   20.330   6.9373   3.1487   2.6547   1.7989   3.5950   4.7671   3.9367   19.538   7.7910   24.704   8.4476 -5.165937 11.49177 
1 1 1    4   16   19 o   75.646   2.3093   45.181   2.7382   41.866   3.8315   48.642   3.9146   72.556   3.3743   78.272   3.1936 -5.716125 4.645981 
1 1 1    4   16   20 o   13.937   5.8175   0.4396   2.1196   1.8115   2.9461  -1.0323   3.0517   18.111   7.1058   14.535   6.5060 3.575809 9.634324 
1 1 1    4   16   21 o   11.439   5.2423  -1.3278   2.1269  -5.5139   2.9292   3.3404   3.0933   10.559   5.1792   20.856   7.4622 -10.29691 9.083400 
1 1 1    4   16   22 o   41.973   3.4823   14.216   2.2731   12.302   3.1707   16.240   3.2604   38.273   5.4315   44.375   4.7561 -6.102444 7.219554 
1 1 1    4   16   23 o   14.614   6.1393   0.5710   2.3836   0.0517   3.2991   1.1381   3.4475   16.029   6.9850   17.658   7.3985 -1.629171 10.17489 
1 1 1    4   16   24 o   37.748   4.0539   11.754   2.3639   13.375   3.2881   10.019   3.4008   39.567   5.4393   33.459   6.7104 6.107738 8.638023 
1 1 1    4   16   25 o   26.547   5.6302   6.2504   2.2727   7.5033   3.2150   4.9987   3.2132   28.212   7.2293   23.110   7.6299 5.102465 10.51086 
1 1 1    4   16   26 o   19.062   6.5077   3.3438   2.3361  -0.3526   3.4428   6.4979   3.1802   15.071   6.8135   25.391   7.4779 -10.32003 10.11644 
1 1 1    4   16   27 o   16.348   6.4029   2.2000   2.3886   1.3880   3.4210   2.9724   3.3366   16.401   7.1305   18.358   7.4407 -1.956783 10.30572 
1 1 1    4   16   28 o   16.094   6.5802   2.1205   2.6367   3.9519   3.7820   0.3886   3.6778   19.295   7.8839   15.279   6.9606 4.015812 10.51692 
1 1 1    4   16   29 o   12.775   5.6251   0.4722   2.1897   0.6040   3.0513   0.3323   3.1441   14.336   6.4538   14.189   6.4530 0.1467648 9.126488 
1 1 1    4   16   30 o   12.004   5.2956   0.5908   1.9492  -0.7634   2.7534   1.9512   2.7597   11.929   5.6301   14.786   6.4166 -2.857041 8.536438 
1 1 1    4   17    0 o   64.527   4.4207   33.156   4.4275   33.156   4.4275   33.156   4.4275   64.527   4.4207   64.527   4.4207 0.000000 0.000000 
1 1 1    4   17    1 o   89.556   2.3979   63.009   3.3670   62.099   4.8015   63.889   4.7229   88.847   3.4503   90.128   3.3450 -1.280792 4.805579 
1 1 1    4   17    2 o  142.924   1.8395  160.334   4.1259  160.424   5.8325  160.244   5.8374  142.942   2.6001  142.861   2.6037 0.8042908E-01 3.679676 
1 1 1    4   17    3 f   37.873   4.8468   11.464   2.8147   10.642   4.0002   12.270   3.9613   36.088   7.3140   38.907   6.7313 -2.819168 9.940102 
1 1 1    4   17    4 o   62.917   2.9626   31.159   2.9169   32.014   4.1224   30.302   4.1279   63.681   4.1476   61.935   4.2733 1.745781 5.955136 
1 1 1    4   17    5 o  129.949   1.8471  132.559   3.7668  131.238   5.3277  133.879   5.3266  129.272   2.6262  130.567   2.5996 -1.295502 3.695243 
1 1 1    4   17    6 o   74.803   2.6038   44.002   3.0519   40.300   4.4256   47.360   4.2143   71.475   3.9610   77.544   3.4720 -6.069176 5.267301 
1 1 1    4   17    7 o   99.606   2.1356   77.911   3.3382   81.673   4.6156   73.784   4.8337  101.908   2.8890   96.833   3.1852 5.075684 4.300242 
1 1 1    4   17    8 o  121.721   1.9570  116.349   3.7382  114.393   5.2522  118.358   5.3217  120.643   2.7742  122.717   2.7634 -2.073776 3.915645 
1 1 1    4   17    9 o   56.980   3.3999   25.640   3.0264   23.958   4.0054   27.878   4.6200   54.908   4.6934   59.210   5.0194 -4.301945 6.871824 
1 1 1    4   17   10 o   30.767   5.5681   7.7194   2.5895   6.8204   3.6385   8.6422   3.6863   28.764   7.8453   32.303   7.4271 -3.539722 10.80326 
1 1 1    4   17   11 o   44.817   4.0331   15.970   2.8062   13.225   3.9585   18.744   3.9787   40.292   6.4803   48.366   5.3302 -8.074425 8.390790 
1 1 1    4   17   12 o   85.658   2.2828   57.727   3.0659   57.029   4.3799   58.398   4.2931   85.016   3.2891   86.046   3.1848 -1.030762 4.578336 
1 1 1    4   17   13 o   89.081   2.2165   62.401   3.0985   63.833   4.4813   61.089   4.2889   89.939   3.1801   87.992   3.1108 1.946274 4.448609 
1 1 1    4   17   14 o   34.155   4.7551   9.4315   2.4797   9.0302   3.5700   9.8057   3.4469   32.894   7.1225   34.416   6.6225 -1.522640 9.725608 
1 1 1    4   17   15 o   44.713   3.7117   15.922   2.5810   14.309   3.6691   17.503   3.6314   41.932   5.7251   46.618   5.0440 -4.685806 7.630176 
1 1 1    4   17   16 o   28.399   5.8601   6.7023   2.5250   7.2323   3.5909   6.1839   3.5513   29.243   7.7146   27.177   7.8738 2.066385 11.02326 
1 1 1    4   17   17 o   66.924   2.7307   35.413   2.8619   35.676   4.0425   35.149   4.0521   66.918   3.8659   66.410   3.9054 0.5085907 5.495183 
1 1 1    4   17   18 o   53.027   3.0849   22.346   2.5560   24.003   3.6247   20.706   3.6048   54.660   4.2592   50.648   4.5850 4.012249 6.258037 
1 1 1    4   17   19 o   29.272   5.1264   7.1225   2.2691   7.9444   3.2060   6.2974   3.2121   30.400   6.8810   26.983   7.3761 3.417601 10.08735 
1 1 1    4   17   20 o   45.642   3.3877   16.711   2.4091   17.620   3.4161   15.811   3.3980   46.394   4.7595   43.818   5.0328 2.576050 6.926892 
1 1 1    4   17   21 o   13.797   5.9771  -0.0553   2.3866   0.1472   3.7005  -0.1995   3.1228   17.134   7.4328   15.474   6.7685 1.659746 10.05282 
1 1 1    4   17   22 f   43.083   4.1137   15.192   2.7475   17.798   3.8714   12.547   3.9000   45.969   5.4739   37.787   6.8280 8.182011 8.751333 
1 1 1    4   17   23 o   18.858   6.9023   2.7672   2.6659   2.2099   3.6915   3.3747   3.8540   19.325   7.8288   21.176   8.1780 -1.850298 11.32120 
1 1 1    4   17   24 o   14.180   6.0911   0.3393   2.4375   0.1268   3.4777   0.5445   3.4174   16.146   7.1000   16.503   7.1509 -0.3569908 10.07699 
1 1 1    4   17   25 o   12.598   5.5869  -0.2116   2.1972  -0.6209   3.1141   0.1941   3.1005   14.282   6.4663   15.132   6.6770 -0.8495893 9.294920 
1 1 1    4   17   26 o   18.797   6.2575   3.3644   2.1601   4.5158   3.0800   2.2500   3.0301   21.032   7.4544   17.230   7.0504 3.802155 10.26044 
1 1 1    4   17   27 o   20.863   6.2781   4.4188   2.2227   1.1876   3.2097   7.3961   3.0810   15.589   6.8393   26.132   7.2558 -10.54267 9.971061 
1 1 1    4   17   28 f   15.235   6.1697   1.9060   2.2918   0.0908   3.1060   4.0752   3.3954   14.004   6.3861   19.143   7.5917 -5.139656 9.920539 
1 1 1    4   17   29 f   13.678   5.7362   1.3782   2.0754   3.5326   2.9217  -0.8160   2.9486   17.583   7.0196   12.496   5.8754 5.087523 9.153936 
1 1 1    4   17   30 o   14.978   5.8865   2.5322   2.0248   3.9251   2.9072   1.2201   2.8216   16.886   6.9075   13.457   6.1174 3.429391 9.226889 
1 1 1    4   18    0 o   43.226   9.6232   16.738   5.7039   16.738   5.7039   16.738   5.7039   43.226   9.6232   43.226   9.6232 -0.000000 0.000000 
1 1 1    4   18    1 o  127.062   2.7167  126.819   5.4170  126.756   7.7131  126.881   7.6094  126.899   3.8777  126.967   3.8234 -0.6806183E-01 5.445640 
1 1 1    4   18    2 o  206.327   2.1424  334.271   6.9368  336.543   9.7497  331.941   9.8716  206.956   3.0020  205.531   3.0606 1.425476 4.287072 
1 1 1    4   18    3 o  107.755   2.6216   91.210   4.4332   99.658   6.2498   82.656   6.2892  112.525   3.5436  102.430   3.9198 10.09505 5.284156 
1 1 1    4   18    4 o   72.793   3.0854   41.725   3.5166   42.545   4.9081   40.859   5.0412   73.389   4.2802   71.890   4.4909 1.498741 6.203889 
1 1 1    4   18    5 o  121.837   2.0496  116.578   3.9188  112.175   5.5731  120.884   5.5114  119.457   2.9729  124.018   2.8318 -4.560822 4.105755 
1 1 1    4   18    6 o   27.542   6.2342   6.2423   2.6315   4.5835   3.7499   7.8518   3.6938   24.667   8.2454   30.822   7.6680 -6.155382 11.25988 
1 1 1    4   18    7 o  182.854   1.6870  262.549   4.8410  262.657   6.8374  262.442   6.8551  182.823   2.3831  182.747   2.3903 0.7569885E-01 3.375352 
1 1 1    4   18    8 o   40.758   4.0496   13.224   2.5559   11.014   3.6059   15.455   3.6235   36.716   6.4959   43.879   5.3743 -7.163006 8.430820 
1 1 1    4   18    9 f   39.950   4.3063   12.741   2.6571   10.327   3.5597   15.779   3.9931   35.474   6.6383   44.218   5.9017 -8.743996 8.882414 
1 1 1    4   18   10 o   81.498   2.3939   52.270   3.0584   49.019   4.5244   55.005   4.1502   78.762   3.6705   83.514   3.1725 -4.751709 4.851530 
1 1 1    4   18   11 o   51.227   3.2433   20.763   2.5939   25.286   3.7511   16.618   3.5908   56.395   4.2702   45.495   5.1182 10.90039 6.665622 
1 1 1    4   18   12 o   50.633   3.2640   20.301   2.5798   20.788   3.6553   19.819   3.6414   51.011   4.6161   49.778   4.7179 1.233139 6.600524 
1 1 1    4   18   13 o   74.349   2.4548   43.564   2.8602   47.971   4.0915   39.351   4.0000   77.879   3.3557   70.472   3.6291 7.407021 4.942760 
1 1 1    4   18   14 o   31.369   5.1447   8.0426   2.4449   6.8426   3.4168   9.3017   3.4999   28.518   7.5263   33.360   6.9128 -4.842108 10.21918 
1 1 1    4   18   15 f   58.107   2.9551   26.725   2.6859   26.975   3.7588   26.465   3.8393   58.137   4.1471   57.550   4.2818 0.5873489 5.960891 
1 1 1    4   18   16 o   10.548   5.0308  -2.9715   2.3149  -3.9001   3.2538  -2.0198   3.2941   12.646   6.0128   14.317   6.5472 -1.670911 8.889294 
1 1 1    4   18   17 o   34.848   4.5902   9.8874   2.4493   14.510   3.4714   5.3053   3.4562   42.080   5.3798   25.180   7.8761 16.89917 9.538087 
1 1 1    4   18   18 o   45.201   3.4877   16.364   2.4549   18.258   3.4872   14.503   3.4564   47.363   4.7560   41.949   5.3737 5.414669 7.176100 
1 1 1    4   18   19 o   27.138   6.0686   6.3099   2.5196   7.9317   3.5188   4.6034   3.6095   30.008   7.4948   23.618   8.0885 6.390230 11.02710 
1 1 1    4   18   20 o   11.120   5.3477  -3.7238   2.7361  -2.4575   3.7040  -5.2444   4.0591   14.647   6.7858   13.533   6.5094 1.113978 9.403131 
1 1 1    4   18   21 o   10.792   5.2783  -5.1973   2.9769  -6.1246   4.2402  -4.2960   4.1803   13.359   6.4808   14.301   6.8041 -0.9419203 9.396669 
1 1 1    4   18   22 o   14.557   6.1656   0.4935   2.4360   5.2555   3.4157  -4.4352   3.4750   24.106   7.8616   12.479   6.0077 11.62676 9.894321 
1 1 1    4   18   23 o   22.266   6.8655   4.5057   2.6366   2.7946   3.5424   6.6312   3.9480   19.702   7.7729   26.194   8.4449 -6.491974 11.47757 
1 1 1    4   18   24 o   19.031   6.4999   3.2150   2.3305   2.9257   3.2953   3.5044   3.2965   19.233   7.5241   20.161   7.6175 -0.9278355 10.70692 
1 1 1    4   18   25 o   17.854   6.3480   2.8955   2.2352   0.0304   3.1844   5.6780   3.1381   14.802   6.6341   23.427   7.5269 -8.625484 10.03319 
1 1 1    4   18   26 o   13.623   5.8312   0.8002   2.2196   0.2382   3.1153   1.3797   3.1633   14.504   6.5261   15.858   6.8758 -1.354300 9.479842 
1 1 1    4   18   27 o   13.678   5.9037   0.8784   2.3112   5.0866   3.2525  -3.4140   3.2849   20.924   7.6293   11.675   5.6730 9.249472 9.507360 
1 1 1    4   18   28 o   11.042   5.1827  -1.1119   2.2767   0.3243   3.2066  -2.5718   3.2330   14.102   6.4530   11.881   5.7383 2.221493 8.635319 
1 1 1    4   18   29 o   9.6732   4.6377  -1.5166   2.0226  -1.8001   2.8667  -1.2356   2.8542   11.174   5.3984   11.553   5.5309 -0.3790665 7.728773 
1 1 1    4   19    0 f   81.524   3.5116   52.516   4.4737   52.516   4.4737   52.516   4.4737   81.524   3.5116   81.524   3.5116 -0.000000 0.000000 
1 1 1    4   19    1 o   47.430   3.8283   17.829   2.8253   17.602   3.9941   18.056   3.9971   46.870   5.5370   47.492   5.4625 -0.6213112 7.777988 
1 1 1    4   19    2 o   28.608   6.2421   6.7324   2.7234   5.5141   3.9046   7.8866   3.8005   26.465   8.3842   30.877   7.8325 -4.412542 11.47360 
1 1 1    4   19    3 o  120.356   1.9855  113.778   3.7500  111.311   5.2836  116.283   5.3233  118.980   2.8298  121.612   2.7893 -2.631935 3.973404 
1 1 1    4   19    4 o   85.922   2.3584   58.060   3.1770   56.021   4.4851   60.113   4.5009   84.294   3.3975   87.336   3.2898 -3.041779 4.729254 
1 1 1    4   19    5 o   22.890   6.8136   4.2215   2.6289   1.9467   3.7238   6.4819   3.7119   20.309   7.9825   28.125   8.0195 -7.815706 11.31514 
1 1 1    4   19    6 o   82.408   2.6175   53.455   3.3807   52.934   4.8652   53.941   4.7011   81.863   3.7974   82.663   3.6328 -0.8002014 5.255267 
1 1 1    4   19    7 o   36.626   5.1084   10.818   2.8564   11.083   4.0822   10.564   3.9982   36.622   7.3587   35.732   7.3747 0.8894920 10.41810 
1 1 1    4   19    8 o   21.036   7.1363   3.2951   2.8086   9.3275   4.1389  -1.8534   3.8237   33.431   7.9969   16.013   7.2155 17.41733 10.77093 
1 1 1    4   19    9 o   41.339   4.8170   13.716   3.0664   17.264   4.2031   9.6787   4.4837   46.207   5.9331   33.966   8.4469 12.24086 10.32244 
1 1 1    4   19   10 o   14.873   6.5428  -0.7318   2.9561  -6.1971   4.8111   2.5832   3.7469   15.164   7.2384   21.180   8.0932 -6.015676 10.85794 
1 1 1    4   19   11 o   55.596   3.4181   24.493   2.9678   25.831   4.3126   23.288   4.0903   56.818   4.8840   53.928   4.8862 2.889984 6.908566 
1 1 1    4   19   12 o   40.491   4.6934   13.199   2.9271   12.178   4.4974   13.949   3.8554   38.080   7.7888   41.287   6.1368 -3.206993 9.915994 
1 1 1    4   19   13 o   76.659   2.6621   46.382   3.1976   44.514   4.5801   48.159   4.4663   74.842   3.9132   77.913   3.6630 -3.071289 5.360154 
1 1 1    4   19   14 o   41.650   4.4655   13.965   2.8732   14.968   4.2399   13.113   3.9071   42.550   6.5603   39.796   6.4787 2.753204 9.220182 
1 1 1    4   19   15 o   66.122   3.0828   34.665   3.1900   30.476   4.7275   38.168   4.3224   61.480   4.9416   69.149   4.0003 -7.669395 6.357807 
1 1 1    4   19   16 o   21.522   7.0852   3.7210   2.7716   7.3678   3.6792  -1.0633   4.2141   29.189   7.8588   17.336   7.7099 11.85289 11.00920 
1 1 1    4   19   17 o   52.751   3.5849   22.289   2.9500   21.334   4.0936   23.320   4.2550   51.042   5.1823   53.402   5.1408 -2.359596 7.299601 
1 1 1    4   19   18 o   41.036   4.4628   13.755   2.8277   15.717   3.9963   11.789   4.0017   43.223   6.0577   36.836   7.1806 6.387367 9.394531 
1 1 1    4   19   19 o   21.358   6.9566   3.8446   2.6750   4.4999   3.8059   3.2047   3.7606   23.370   8.2860   21.257   8.1116 2.113188 11.59550 
1 1 1    4   19   20 o   16.711   7.1169   0.6253   3.2762   1.6391   4.8638  -0.2167   4.4328   20.581   8.7144   18.023   7.9668 2.558361 11.80725 
1 1 1    4   19   21 o   21.644   7.0855   4.0953   2.7734   5.2142   3.9519   3.0094   3.8931   24.174   8.4541   20.727   8.1574 3.446747 11.74801 
1 1 1    4   19   22 o   45.916   4.0342   17.409   2.8773   22.468   4.0893   12.448   4.0494   51.450   5.1332   36.774   7.2745 14.67542 8.903257 
1 1 1    4   19   23 f   27.572   6.8171   7.1423   2.9329   5.5821   4.0870   8.7989   4.2113   23.900   8.5742   29.333   8.5961 -5.433493 12.14123 
1 1 1    4   19   24 o   9.4854   4.6614  -4.1729   2.4089  -3.2614   3.2910  -5.2247   3.5354   12.289   5.8982   11.656   5.7116 0.6331921 8.210466 
1 1 1    4   19   25 o   9.8361   4.7684  -2.9310   2.2854  -1.4012   3.2452  -4.4363   3.2190   13.281   6.2190   11.169   5.4682 2.112311 8.281078 
1 1 1    4   19   26 o   22.378   6.2375   5.1529   2.2721   4.7521   3.2241   5.5484   3.2025   20.436   7.5713   21.878   7.6132 -1.442118 10.73710 
1 1 1    4   19   27 o   11.241   5.2195  -0.8104   2.2101  -3.5112   3.0979   1.9892   3.1540   11.108   5.4224   15.957   6.8921 -4.848778 8.769486 
1 1 1    4   19   28 o   16.810   6.1969   3.1883   2.1550  -1.6027   3.0480   7.9772   3.0473   11.800   5.6666   25.149   7.2959 -13.34924 9.238050 
1 1 1    4   19   29 o   7.9656   3.9835  -4.0163   2.0770  -5.1921   2.9294  -2.8276   2.9454   9.2324   4.6333   10.372   5.1083 -1.139451 6.896519 
1 1 1    4   20    0 o   32.920   8.6186   10.144   3.8469   10.144   3.8469   10.144   3.8469   32.920   8.6186   32.920   8.6186 -0.000000 0.000000 
1 1 1    4   20    1 o   48.909   3.6743   18.958   2.7996   22.572   4.0207   15.557   3.9005   53.210   4.8689   43.918   5.8011 9.292591 7.573553 
1 1 1    4   20    2 o   28.987   6.1947   6.9264   2.7324   10.263   3.9239   3.7854   3.8071   35.220   7.3379   23.283   8.2841 11.93738 11.06672 
1 1 1    4   20    3 o   40.212   4.5518   12.938   2.8219   13.220   3.9753   12.652   4.0065   40.263   6.5140   39.320   6.7350 0.9423027 9.369761 
1 1 1    4   20    4 o   24.172   7.1161   4.7481   2.8804   5.4307   4.1354   4.1048   4.0144   26.408   8.6525   24.057   8.5119 2.351101 12.13751 
1 1 1    4   20    5 o   45.712   4.5628   16.686   3.2295   15.745   4.4828   17.701   4.6566   43.944   6.7130   46.689   6.5341 -2.745342 9.367956 
1 1 1    4   20    6 f   32.030   6.4240   8.4662   3.1166   6.8522   4.4309   10.047   4.3845   29.006   8.8921   34.638   8.1949 -5.632425 12.09237 
1 1 1    4   20    7 o   40.669   4.9420   13.305   3.0894   14.142   4.3359   12.441   4.4030   41.498   6.9002   38.716   7.5180 2.782082 10.20455 
1 1 1    4   20    8 o   23.069   7.2655   4.2454   2.9360   3.1356   4.1947   5.3112   4.1109   22.708   8.5899   26.067   8.6310 -3.358995 12.17704 
1 1 1    4   20    9 o   41.642   4.7900   13.947   3.0732   11.055   4.3203   16.910   4.3725   36.294   7.8165   45.543   6.2853 -9.249001 10.03007 
1 1 1    4   20   10 o   27.404   6.8957   6.2883   2.9627   4.9624   4.5134   7.2922   3.9272   25.775   9.0333   29.454   8.1970 -3.678551 12.19797 
1 1 1    4   20   11 o   49.467   3.8161   19.494   2.9395   26.073   4.1544   12.898   4.1598   57.055   4.6809   39.388   6.9855 17.66708 8.408854 
1 1 1    4   20   12 o   44.902   3.8839   16.107   2.7098   18.163   3.8251   14.034   3.8396   47.378   5.2316   41.335   6.1025 6.043709 8.038012 
1 1 1    4   20   13 o   17.679   6.6320   1.9574   2.4889   3.9530   3.4856  -0.1184   3.5550   22.833   7.9427   16.971   7.3236 5.862062 10.80376 
1 1 1    4   20   14 o   49.621   3.5409   19.647   2.7392   15.590   3.8524   23.795   3.8956   43.543   5.7804   54.337   4.6120 -10.79373 7.394834 
1 1 1    4   20   15 o   21.419   6.7576   3.7732   2.5389   4.5923   3.6078   2.9695   3.5735   23.863   8.0882   21.071   7.9377 2.791653 11.33253 
1 1 1    4   20   16 o   33.055   4.9508   9.0289   2.4892   7.3173   3.4675   10.849   3.5756   28.918   7.5581   35.662   6.6330 -6.744322 10.05589 
1 1 1    4   20   17 o   30.471   5.8195   7.8899   2.6814   11.088   3.7548   4.5620   3.8304   35.767   6.9400   23.647   8.3191 12.11964 10.83379 
1 1 1    4   20   18 o   37.620   4.6673   11.697   2.6964   9.3691   3.8375   13.967   3.7896   32.299   7.6833   40.454   6.1638 -8.155014 9.850118 
1 1 1    4   20   19 o   47.464   3.8388   18.323   2.8350   21.515   4.0527   15.265   3.9672   50.766   5.1586   42.131   6.1843 8.634930 8.053346 
1 1 1    4   20   20 o   15.608   6.5120   0.8703   2.6539   0.6376   3.8369   1.0838   3.6748   17.632   7.6085   17.864   7.5699 -0.2324276 10.73275 
1 1 1    4   20   21 o   22.380   6.8536   4.5461   2.6331  -0.6525   3.7153   9.7924   3.7323   15.868   7.1345   32.365   7.4959 -16.49705 10.34841 
1 1 1    4   20   22 o   15.283   6.2667   1.1984   2.4002   0.4852   3.4467   1.8698   3.3444   16.292   7.1189   17.847   7.3659 -1.554333 10.24375 
1 1 1    4   20   23 o   21.014   6.8999   4.2939   2.6292   3.3871   3.5938   5.3381   3.8564   19.647   7.8043   22.685   8.3018 -3.037781 11.39417 
1 1 1    4   20   24 o   13.263   5.8350   0.3023   2.3515   0.4263   3.3247   0.1781   3.3264   15.148   6.7846   14.898   6.7199 0.2497387 9.549213 
1 1 1    4   20   25 o   12.444   5.6142  -0.1161   2.3235  -0.1800   3.2639  -0.0505   3.3084   14.103   6.4744   14.291   6.5452 -0.1886692 9.206355 
1 1 1    4   20   26 o   18.269   6.4563   3.5319   2.3090   2.9261   3.2667   4.1368   3.2642   17.287   7.2196   19.035   7.4761 -1.747263 10.39303 
1 1 1    4   20   27 o   12.352   5.5866   0.2359   2.3174   1.6831   3.3804  -1.0473   3.1831   15.212   6.8252   12.581   5.9720 2.630610 9.069054 
1 1 1    4   20   28 o   10.691   5.1019  -1.0136   2.3866   1.5573   3.3933  -3.5304   3.3574   14.041   6.5014   10.740   5.3196 3.300818 8.400424 
1 1 1    4   21    0 o   11.196   7.5668  -1.8045   3.8957  -1.8045   3.8957  -1.8045   3.8957   11.196   7.5668   11.196   7.5668 0.000000 0.000000 
1 1 1    4   21    1 o   29.575   6.4624   7.2498   2.9153   7.9101   4.0822   6.5625   4.1647   30.768   8.2754   28.340   8.6078 2.428112 11.94054 
1 1 1    4   21    2 o   40.750   5.1428   13.383   3.2156   18.497   4.5738   8.3842   4.5218   47.756   6.2530   31.663   8.7896 16.09345 10.78692 
1 1 1    4   21    3 o   22.711   7.5378   3.9673   3.1350   2.4870   4.4280   5.4551   4.4391   22.200   8.7110   26.622   8.9720 -4.421709 12.50517 
1 1 1    4   21    4 o   90.696   2.6843   64.822   3.8164   69.330   5.4883   60.600   5.3105   93.614   3.7434   87.485   3.8777 6.128593 5.389783 
1 1 1    4   21    5 o   54.092   3.9197   23.254   3.3048   23.578   4.6679   22.928   4.6794   54.125   5.5753   53.341   5.6773 0.7837143 7.957094 
1 1 1    4   21    6 o   57.135   3.7960   25.923   3.3843   19.973   4.7381   32.119   4.8356   49.579   6.2267   63.393   4.8987 -13.81470 7.922731 
1 1 1    4   21    7 o   52.418   3.7657   21.843   3.0770   27.927   4.4463   16.252   4.2625   59.074   4.8386   44.609   6.2609 14.46482 7.912642 
1 1 1    4   21    8 o   45.265   4.2648   16.395   2.9938   14.243   4.3090   18.404   4.1625   41.509   6.8539   47.643   5.6790 -6.133717 8.900997 
1 1 1    4   21    9 o   38.183   5.8479   11.949   3.3927   8.3561   4.7917   15.561   4.8044   31.393   9.1609   43.227   7.3449 -11.83409 11.74176 
1 1 1    4   21   10 o   84.422   2.9659   56.347   3.9233   53.937   5.9528   58.198   5.2165   82.148   4.6365   85.568   3.8950 -3.420120 6.055371 
1 1 1    4   21   11 o   24.497   7.0387   5.0176   2.8489   8.7619   4.0598   1.3850   3.9989   31.990   8.0846   19.746   8.0920 12.24360 11.43860 
1 1 1    4   21   12 o   22.156   7.0892   3.9791   2.7859   3.0400   3.9479   4.9106   3.9317   21.869   8.3192   24.856   8.4433 -2.986868 11.85324 
1 1 1    4   21   13 o   59.836   3.3155   28.504   3.1012   28.853   4.4405   28.172   4.3329   59.746   4.7758   59.055   4.7144 0.6909981 6.710756 
1 1 1    4   21   14 o   35.324   5.1893   10.305   2.7909   8.3546   3.8963   12.360   3.9996   30.873   7.9833   38.077   6.9494 -7.204172 10.58432 
1 1 1    4   21   15 o   33.426   5.2016   9.2955   2.6398   12.979   3.6580   5.2921   3.8134   39.228   6.1436   25.002   8.3140 14.22667 10.33761 
1 1 1    4   21   16 o   15.845   6.4604   1.0391   2.5329   0.8913   3.5711   1.1888   3.5932   17.808   7.4998   18.228   7.5890 -0.4198895 10.66957 
1 1 1    4   21   17 o   21.339   6.7460   3.8980   2.5290  -0.7953   3.5876   8.5340   3.5656   15.834   7.0729   30.840   7.4513 -15.00640 10.27367 
1 1 1    4   21   18 o   47.231   3.7276   18.125   2.7405   15.736   3.8574   20.559   3.8942   42.917   5.8821   49.626   5.0715 -6.709572 7.766606 
1 1 1    4   21   19 o   40.151   4.2573   13.335   2.6417   14.762   3.7476   11.926   3.7243   41.313   5.9519   36.601   6.7319 4.711536 8.985781 
1 1 1    4   21   20 o   20.510   6.7553   3.7195   2.5193   5.3543   3.5964   2.1442   3.5303   23.946   8.0756   18.754   7.6343 5.191271 11.11299 
1 1 1    4   21   21 o   15.928   6.4017   1.5388   2.4469  -2.0345   3.4409   5.1940   3.4802   13.844   6.4566   23.254   7.9429 -9.409599 10.23604 
1 1 1    4   21   22 o   17.734   6.6611   2.6988   2.5125  -0.5018   3.5561   5.8890   3.5503   15.046   6.8507   23.734   8.0237 -8.687735 10.55042 
1 1 1    4   21   23 o   12.840   5.8739  -0.6170   2.6546  -1.5319   3.6112   0.4586   3.9156   13.896   6.5237   16.026   7.2538 -2.130271 9.755838 
1 1 1    4   21   24 o   17.914   6.7714   3.2295   2.6054   4.1529   3.7308   2.3504   3.6402   19.455   7.8743   17.165   7.4090 2.289871 10.81196 
1 1 1    4   21   25 o   18.684   6.9646   3.8297   2.7359   3.5029   3.8586   4.1601   3.8797   18.204   7.7372   19.000   7.8960 -0.7957134 11.05492 
1 1 1    4   21   26 o   13.881   6.1617   0.9877   2.6788   4.7374   3.7869  -2.7683   3.7900   18.987   7.8375   12.489   6.0745 6.497977 9.915960 
1 1 1    4   21   27 o   17.390   6.6993   4.0255   2.5817  -0.7642   3.7963   8.1463   3.5213   12.850   6.2094   22.648   7.9756 -9.797840 10.10777 
1 1 1    4   22    0 o   17.517   9.6022   3.4749   3.7864   3.4749   3.7864   3.4749   3.7864   17.517   9.6022   17.517   9.6022 -0.000000 0.000000 
1 1 1    4   22    1 f   53.595   3.5185   22.793   2.9430   25.505   4.1995   20.177   4.1255   56.451   4.7856   50.035   5.3363 6.415550 7.167821 
1 1 1    4   22    2 o   47.264   3.9103   17.801   2.8744   17.499   4.0519   18.106   4.0782   46.469   5.6738   47.297   5.6033 -0.8278351 7.974263 
1 1 1    4   22    3 o   61.952   3.1551   30.371   3.0573   31.799   4.3009   28.912   4.3469   63.158   4.3662   60.146   4.6412 3.011730 6.372179 
1 1 1    4   22    4 o   42.444   4.4045   14.452   2.8912   16.740   4.0760   12.135   4.1015   45.361   5.8630   38.174   7.1080 7.186474 9.214043 
1 1 1    4   22    5 o   54.155   3.7812   23.332   3.1933   23.561   4.2048   23.021   4.9084   54.145   5.0053   53.248   5.9770 0.8964844 7.795972 
1 1 1    4   22    6 o   29.353   6.5986   7.2195   2.9655   6.6153   4.5579   7.6630   3.9050   28.383   9.0663   30.072   8.0962 -1.688559 12.15510 
1 1 1    4   22    7 o   24.906   6.8734   5.1888   2.7741   6.4108   3.8663   3.8922   3.9826   27.680   8.2688   23.384   8.4544 4.295425 11.82579 
1 1 1    4   22    8 o   39.032   4.6605   12.315   2.7983   11.983   3.9603   12.647   3.9546   37.859   6.9208   38.985   6.7057 -1.125843 9.636612 
1 1 1    4   22    9 o   28.580   6.8734   6.9119   3.0448   9.2527   4.3696   4.7025   4.2452   32.779   8.4431   24.871   8.7573 7.908173 12.16453 
1 1 1    4   22   10 o   24.104   7.4787   4.8149   3.1230   8.4221   4.3081   0.8199   4.5338   31.196   8.5481   19.997   8.4377 11.19935 12.01104 
1 1 1    4   22   11 o   14.098   6.2071  -0.5590   2.6655  -2.2681   3.6564   1.3793   3.8938   14.949   6.8590   19.382   7.9685 -4.433569 10.51394 
1 1 1    4   22   12 o   15.280   6.5542   0.0856   2.8146   4.7800   3.9510  -4.7515   4.0106   24.412   8.4584   13.903   6.6288 10.50873 10.74640 
1 1 1    4   22   13 o   25.713   6.6322   5.7018   2.6937   5.3557   3.8479   6.0344   3.7722   25.183   8.3508   26.383   8.2247 -1.199993 11.72097 
1 1 1    4   22   14 o   25.354   6.6075   5.5845   2.6552   8.7042   3.6951   2.2541   3.8179   31.342   7.5935   20.084   8.0221 11.25845 11.04607 
1 1 1    4   22   15 f   35.136   5.2202   10.341   2.7910   10.934   3.9951   9.7752   3.9008   35.082   7.4849   33.041   7.6708 2.041458 10.71751 
1 1 1    4   22   16 o   16.236   6.7215   1.0020   2.7962  -2.0390   3.9766   3.9762   3.9326   15.506   7.1288   22.444   8.3532 -6.938354 10.98160 
1 1 1    4   22   17 f   39.057   5.1980   12.877   3.1070   13.687   4.3717   12.049   4.4165   38.963   7.4208   36.123   8.0018 2.839146 10.91316 
1 1 1    4   22   18 o   34.299   5.4912   10.124   2.8560   13.986   4.0754   6.3972   4.0035   39.575   6.8076   26.036   8.5125 13.53822 10.89981 
1 1 1    4   22   19 o   30.741   6.0741   8.4326   2.8263   12.982   4.0009   3.9009   3.9931   37.619   7.0357   21.662   8.3352 15.95768 10.90759 
1 1 1    4   22   20 o   11.744   5.5333  -2.1886   2.6396  -2.6532   3.6911  -1.7022   3.7764   13.865   6.5362   14.773   6.8469 -0.9079952 9.465825 
1 1 1    4   22   21 o   14.003   6.1105   0.3785   2.5323  -2.2359   3.5580   3.0622   3.6049   13.580   6.4063   19.141   7.7428 -5.561466 10.04949 
1 1 1    4   22   22 o   17.751   6.7889   2.9135   2.6381  -2.2021   3.7575   7.8860   3.7046   13.647   6.4808   26.334   8.1411 -12.68720 10.40572 
1 1 1    4   22   23 o   14.224   6.3443   0.5507   2.8752   1.4918   4.1572  -0.3122   3.9808   16.694   7.5227   14.996   6.9773 1.697379 10.26030 
1 1 1    4   22   24 o   16.365   6.7834   2.4314   2.8529   6.8859   4.0613  -1.9077   4.0084   22.601   8.4732   13.655   6.5420 8.946208 10.70487 
1 1 1    4   22   25 o   20.665   7.1532   5.1880   2.8255   7.3899   4.0608   3.1216   3.9339   22.501   8.4648   17.192   7.5561 5.308741 11.34672 
1 1 1    4   22   26 o   14.715   6.4244   2.2415   2.8021  -0.8524   3.9566   5.3546   3.9688   13.032   6.3074   18.040   7.7610 -5.007738 10.00081 
1 1 1    4   23    0 o   17.897   9.7519   3.6911   3.8811   3.6911   3.8811   3.6911   3.8811   17.897   9.7519   17.897   9.7519 0.000000 0.000000 
1 1 1    4   23    1 o   31.170   5.8718   8.0504   2.7669   10.720   3.8745   5.2714   3.9527   35.730   7.1596   25.661   8.4620 10.06871 11.08442 
1 1 1    4   23    2 o   45.789   4.1092   16.782   2.9214   15.971   4.1195   17.603   4.1435   44.135   6.1117   46.463   5.8092 -2.328701 8.432038 
1 1 1    4   23    3 o   54.083   3.5513   23.263   2.9974   18.741   4.2204   27.865   4.2578   47.977   5.7179   58.948   4.6401 -10.97031 7.363720 
1 1 1    4   23    4 o   20.103   7.0785   2.9516   2.7736   0.2519   3.9321   5.6252   3.9129   18.257   7.7867   26.215   8.4032 -7.957697 11.45629 
1 1 1    4   23    5 o   21.494   7.6616   3.3537   3.2579  -0.8616   4.5418   7.8213   4.6758   18.372   8.0952   30.304   9.1026 -11.93189 12.18156 
1 1 1    4   23    6 o   59.091   3.8293   27.850   3.5319   30.996   5.0065   24.733   4.9832   61.945   5.1981   55.068   5.8561 6.876957 7.830371 
1 1 1    4   23    7 o   25.905   6.8118   5.6856   2.8055   5.8702   3.9671   5.5009   3.9679   26.557   8.4556   25.903   8.4749 0.6534023 11.97168 
1 1 1    4   23    8 o   17.800   6.9018   1.7828   2.7532   3.4120   3.8291   0.0390   3.9614   22.208   8.2468   17.953   7.7390 4.255203 11.30940 
1 1 1    4   23    9 o   15.091   6.6951  -0.8203   3.1586  -1.1836   4.5280  -0.4760   4.4082   17.862   7.9647   18.282   8.0180 -0.4205704 11.30155 
1 1 1    4   23   10 o   23.458   7.4958   4.5918   3.1154   1.2510   4.3484   8.1152   4.4657   19.934   8.3276   30.309   8.8434 -10.37557 12.14720 
1 1 1    4   23   11 o   14.454   6.3292  -0.3528   2.7374  -0.0370   3.7365  -0.7187   4.0216   17.191   7.4632   17.087   7.5691 0.1044178 10.62968 
1 1 1    4   23   12 o   13.727   6.2309  -1.3619   2.9138  -2.4819   4.0483  -0.1579   4.1972   15.493   7.1481   17.913   7.8408 -2.420234 10.61001 
1 1 1    4   23   13 o   21.936   7.3951   4.0114   3.0158   1.5891   4.2250   6.5276   4.3062   19.772   8.2302   27.033   8.8278 -7.261360 12.06926 
1 1 1    4   23   14 o   22.443   7.0538   4.3717   2.7688   4.9110   3.9531   3.8524   3.8793   24.010   8.4509   22.256   8.2937 1.754810 11.84078 
1 1 1    4   23   15 o   12.809   5.8935  -1.6081   2.7250  -3.4880   3.8242   0.3309   3.8839   14.001   6.6160   17.497   7.6023 -3.496472 10.07802 
1 1 1    4   23   16 o   25.789   6.8170   6.0078   2.8003   5.2108   3.9176   6.8405   4.0042   24.106   8.4183   26.939   8.4848 -2.832569 11.95240 
1 1 1    4   23   17 o   16.182   6.6744   1.2044   2.7434  -2.0601   4.0126   4.0698   3.7593   15.282   7.0740   21.947   8.1673 -6.665240 10.80494 
1 1 1    4   23   18 o   23.062   6.8996   4.9356   2.6904   3.5393   3.8090   6.3258   3.8006   20.873   8.1112   25.445   8.2923 -4.572201 11.59973 
1 1 1    4   23   19 f   25.675   6.9023   6.3074   2.8407   4.9312   3.7626   8.1317   4.3322   22.583   8.2101   27.734   8.8367 -5.150642 12.06205 
1 1 1    4   23   20 o   27.747   7.0541   7.7169   3.0778   10.466   4.3689   5.0079   4.3367   30.657   8.6865   21.954   8.6188 8.703775 12.23676 
1 1 1    4   23   21 o   13.692   6.0517   0.3599   2.5568   0.6116   3.6083   0.1060   3.6235   15.656   7.0358   15.199   6.9184 0.4567909 9.867402 
1 1 1    4   23   22 o   18.445   6.8505   3.5570   2.6423   0.2636   3.5934   7.4342   3.8989   14.916   6.8274   24.216   8.4017 -9.300340 10.82603 
1 1 1    4   23   23 o   8.7647   4.4138  -6.9206   2.7794  -4.8480   3.8344  -9.2152   4.0347   11.762   5.7997   10.433   5.2617 1.329457 7.830863 
1 1 1    4   23   24 o   10.493   5.0943  -2.6631   2.6327  -2.5364   3.7221  -2.7900   3.7244   12.541   6.0810   12.401   6.0291 0.1402769 8.563203 
1 1 1    4   23   25 o   13.201   5.9618   1.0374   2.6275  -0.2898   3.6940   2.3966   3.7380   13.156   6.2969   15.220   6.9655 -2.063749 9.389810 
1 1 1    4   23   26 o   10.999   5.2383  -0.5397   2.4906   0.1029   3.6296  -1.1116   3.4240   12.670   6.1098   11.767   5.7346 0.9029846 8.379425 
1 1 1    4   24    0 o   8.2901   6.0304  -9.5762   4.4706  -9.5762   4.4706  -9.5762   4.4706   8.2901   6.0304   8.2901   6.0304 -0.000000 0.000000 
1 1 1    4   24    1 o   26.365   7.6139   5.8937   3.3256   7.0581   4.6602   4.6853   4.7473   28.877   9.1610   25.251   9.2157 3.626139 12.99436 
1 1 1    4   24    2 o   23.240   7.7135   4.3291   3.2828   1.0324   4.5886   7.7855   4.6984   20.318   8.5257   30.080   9.1440 -9.762548 12.50207 
1 1 1    4   24    3 o   38.105   5.7555   11.995   3.3345   12.682   4.6353   11.258   4.8004   38.423   7.9497   35.937   8.6225 2.486282 11.72798 
1 1 1    4   24    4 o   19.658   7.5229   2.3696   3.2407  -1.6012   4.5816   6.3453   4.5845   17.656   7.9317   27.579   9.1139 -9.923744 12.08203 
1 1 1    4   24    5 f   38.477   6.6735   12.469   3.8835   19.025   6.0802   7.9506   5.0472   46.840   8.5881   30.262   9.5254 16.57842 12.82532 
1 1 1    4   24    6 o   22.964   7.7519   4.2394   3.3138   4.8712   4.3637   3.3786   5.0935   24.949   8.8698   23.684   9.3278 1.264858 12.87172 
1 1 1    4   24    7 o   16.585   6.8134   0.9685   2.8439   5.1173   4.0115  -3.2234   4.0323   24.993   8.5279   15.010   6.9967 9.983371 11.03080 
1 1 1    4   24    8 o   32.937   5.5472   9.0727   2.7655   7.1290   3.9022   11.034   3.9199   28.463   8.2558   35.725   7.2401 -7.262262 10.98079 
1 1 1    4   24    9 o   17.093   6.8559   1.4162   2.8004  -0.2284   4.1203   2.8282   3.8177   17.739   7.7664   20.973   8.1287 -3.234657 11.24244 
1 1 1    4   24   10 o   11.528   5.5192  -3.6174   2.8421  -2.6691   3.7354  -4.9209   4.3796   14.597   6.7804   14.496   6.9158 0.1006451 9.685136 
1 1 1    4   24   11 o   18.679   6.8551   2.5542   2.6323   5.2066   3.7396  -0.0507   3.7060   24.548   8.2346   16.926   7.3890 7.622108 11.06369 
1 1 1    4   24   12 o   18.269   6.8696   2.3445   2.6738   0.7036   3.8221   3.9170   3.7417   17.910   7.6589   22.227   8.1703 -4.317215 11.19881 
1 1 1    4   24   13 o   17.058   6.7503   1.6975   2.6791  -4.5930   3.7891   7.9863   3.7885   13.188   6.3294   29.413   7.9984 -16.22509 10.19979 
1 1 1    4   24   14 o   15.554   6.5145   0.8024   2.6712  -0.4000   3.7622   2.0247   3.7933   16.404   7.2906   19.255   7.8849 -2.851538 10.73893 
1 1 1    4   24   15 o   21.675   6.9137   4.1821   2.6513   6.4755   3.7766   1.9535   3.7229   26.175   8.2396   18.917   7.7859 7.258396 11.33630 
1 1 1    4   24   16 o   21.060   6.9256   3.9712   2.6484   1.4961   3.7677   6.3885   3.7235   18.224   7.6908   25.760   8.1907 -7.536102 11.23546 
1 1 1    4   24   17 o   33.009   5.6741   9.6551   2.8333   12.798   3.9473   6.3145   4.0693   37.040   7.0483   25.149   8.5889 11.89098 11.11073 
1 1 1    4   24   18 o   15.484   6.4577   1.2196   2.6083  -0.4675   3.6934   2.8982   3.6840   15.477   7.0211   19.271   7.8157 -3.794151 10.50624 
1 1 1    4   24   19 o   12.241   5.8405  -2.6356   3.1249  -4.4463   4.6109  -1.0975   4.2496   13.942   6.7622   15.438   7.1917 -1.496083 9.871582 
1 1 1    4   24   20 o   14.197   6.2790   0.5407   2.7571  -0.0764   3.9062   1.1533   3.8921   15.325   7.0529   16.405   7.3448 -1.079671 10.18280 
1 1 1    4   24   21 o   17.501   6.8158   3.0878   2.6943   3.6886   3.8482   2.5101   3.7734   18.614   7.8091   17.221   7.4878 1.393370 10.81895 
1 1 1    4   24   22 o   10.391   5.0640  -3.1309   2.6706  -5.4489   3.7683  -0.7918   3.7855   11.336   5.6184   13.992   6.6028 -2.655912 8.669693 
1 1 1    4   24   23 o   18.417   6.7279   3.9359   2.5311   1.3261   3.5811   6.5410   3.5779   15.130   6.8833   21.768   7.9915 -6.637442 10.54720 
1 1 1    4   24   24 o   15.938   6.5088   3.1144   2.5762   0.8742   3.5635   5.5669   3.7286   13.827   6.4879   18.510   7.7204 -4.683308 10.08452 
1 1 1    4   24   25 o   13.739   6.0650   2.1046   2.5608   0.9226   3.6457   3.2557   3.5978   13.157   6.2859   14.950   6.8388 -1.793252 9.288836 
1 1 1    4   25    0 o   18.716   9.9848   4.2532   3.9883   4.2532   3.9883   4.2532   3.9883   18.716   9.9848   18.716   9.9848 0.000000 0.000000 
1 1 1    4   25    1 o   14.847   6.4353  -0.1381   2.7694   2.0342   3.9033  -2.3402   3.9298   20.121   8.0859   15.459   7.0997 4.661891 10.76044 
1 1 1    4   25    2 o   28.426   6.5683   6.9347   2.8712   3.1733   4.0466   10.748   4.0745   21.918   8.4019   35.141   7.6094 -13.22205 11.33551 
1 1 1    4   25    3 o   18.719   7.0722   2.2975   2.8413   2.1035   3.9693   2.5015   4.0691   20.284   8.1530   20.977   8.3135 -0.6935291 11.64414 
1 1 1    4   25    4 o   41.985   4.6333   14.397   3.0021   13.269   4.2557   15.514   4.2356   39.256   7.1723   42.834   6.5054 -3.578342 9.683115 
1 1 1    4   25    5 o   15.923   6.7974   0.2978   3.0014   0.3535   4.3530   0.2473   4.1439   18.801   8.1086   18.291   7.9002 0.5098019 11.32089 
1 1 1    4   25    6 o   22.202   7.4027   4.0849   3.0229   4.8543   4.3424   3.3614   4.2106   24.542   8.8339   22.204   8.5552 2.337341 12.29754 
1 1 1    4   25    7 o   28.745   6.8464   7.2299   3.0440   9.6127   4.3761   4.9963   4.2369   32.533   8.4848   24.589   8.7403 7.943439 12.18129 
1 1 1    4   25    8 o   30.104   6.5751   7.8982   3.0190   9.5405   4.2973   6.2976   4.2423   32.335   8.3955   26.618   8.7660 5.716963 12.13786 
1 1 1    4   25    9 o   21.699   7.5321   3.8866   3.1338   1.2777   4.6515   6.0549   4.2405   19.997   8.4969   26.085   8.7689 -6.088205 12.21032 
1 1 1    4   25   10 o   15.308   6.8250  -0.6786   3.3239   1.2047   4.6135  -2.7112   4.7930   19.748   8.4289   16.639   7.7122 3.109556 11.42474 
1 1 1    4   25   11 f   11.066   5.4003  -5.0876   3.0656  -5.7391   4.6148  -4.5730   4.1014   14.307   6.8966   13.893   6.6454 0.4143019 9.577285 
1 1 1    4   25   12 o   23.845   7.8986   5.1225   3.4427   9.1002   5.2108   2.0413   4.5862   30.332   9.6945   20.367   8.5335 9.964745 12.91523 
1 1 1    4   25   13 o   9.8508   4.9268  -8.0104   3.1806 -11.8368   4.5413  -4.3261   4.4561   11.465   5.7556   14.648   6.9849 -3.183649 9.050712 
1 1 1    4   25   14 o   14.146   6.4584  -1.2466   3.1884  -6.0071   4.5906   3.1903   4.4318   13.881   6.7362   21.181   8.5789 -7.300074 10.90756 
1 1 1    4   25   15 o   23.723   7.8284   5.3801   3.3828   7.2825   4.6362   3.2143   4.9468   26.673   9.1660   21.372   8.9016 5.301067 12.77704 
1 1 1    4   25   16 o   19.611   7.4760   3.2696   3.1924   7.7514   4.5097  -1.2323   4.5197   26.973   9.0427   16.387   7.5579 10.58581 11.78522 
1 1 1    4   25   17 o   23.312   7.4835   5.5590   3.1025   3.8380   4.3614   7.3220   4.4142   20.597   8.4469   25.464   8.9328 -4.867373 12.29410 
1 1 1    4   25   18 o   14.253   6.4272  -0.0094   3.0407   1.5882   4.2985  -1.6095   4.3020   17.536   7.7935   14.974   7.0581 2.562210 10.51457 
1 1 1    4   25   19 o   15.647   6.7526   1.5195   3.0228  -3.3724   4.2875   6.3539   4.2623   13.526   6.5509   22.414   8.6149 -8.888845 10.82276 
1 1 1    4   25   20 o   13.536   6.1375   0.1840   2.8180  -0.7642   4.0068   1.1122   3.9640   14.439   6.8074   15.861   7.2259 -1.422310 9.927469 
1 1 1    4   25   21 o   21.871   7.1498   5.6516   2.8244   10.136   4.0197   1.2791   3.9693   27.611   8.4704   15.718   7.1874 11.89294 11.10885 
1 1 1    4   25   22 o   12.690   5.8589  -0.0658   2.7261  -1.3885   3.8449   1.2713   3.8658   13.244   6.3615   15.173   6.9950 -1.928591 9.455036 
1 1 1    4   25   23 o   14.521   6.3512   2.2103   2.7492   9.3694   3.8830  -4.9861   3.8931   23.425   8.3628   10.934   5.4656 12.49093 9.990510 
1 1 1    4   25   24 o   11.983   5.5927   0.5389   2.5898   2.2563   3.5945  -1.3149   3.7345   14.003   6.5531   11.853   5.8208 2.150123 8.765018 
1 1 1    4   26    0 o   23.699   10.339   6.7458   3.9933   6.7458   3.9933   6.7458   3.9933   23.699   10.339   23.699   10.339 0.000000 0.000000 
1 1 1    4   26    1 o   22.990   7.0848   4.5623   2.8082   1.8895   3.9861   7.1960   3.9569   19.778   8.0889   28.242   8.3474 -8.464277 11.62366 
1 1 1    4   26    2 f   14.623   6.4051  -0.2732   2.8050   1.2403   3.9641  -1.7910   3.9696   18.922   7.9311   15.821   7.2168 3.100627 10.72310 
1 1 1    4   26    3 o   15.311   6.5849   0.1781   2.8556   1.0243   4.0256  -0.6789   4.0514   18.754   7.9338   16.996   7.5589 1.758024 10.95822 
1 1 1    4   26    4 o   20.668   7.3865   3.3667   3.0300   3.2207   4.2688   3.5149   4.3016   21.853   8.5594   22.295   8.6319 -0.4420185 12.15621 
1 1 1    4   26    5 o   34.887   6.2956   10.508   3.3199   5.4170   4.6815   15.659   4.7088   25.274   9.1623   42.109   7.3953 -16.83500 11.77446 
1 1 1    4   26    6 o   30.299   7.0595   8.1790   3.2942   8.7152   4.7189   7.6694   4.6006   30.413   9.1466   28.695   9.1021 1.717808 12.90387 
1 1 1    4   26    7 o   15.470   6.7834  -0.1630   3.1536   1.5315   4.5054  -1.7908   4.4156   19.900   8.4047   16.581   7.5816 3.318941 11.31898 
1 1 1    4   26    8 o   32.930   6.4007   9.5167   3.1885   11.543   4.5644   7.5858   4.4561   35.135   8.3935   28.333   8.9544 6.802269 12.27320 
1 1 1    4   26    9 o   15.497   6.6747   0.3198   2.9421   1.2663   4.1468  -0.6395   4.1749   18.889   8.0242   16.987   7.6061 1.901688 11.05625 
1 1 1    4   26   10 o   11.422   5.5517  -4.7795   3.1524  -3.7649   4.1038  -6.2402   4.9239   14.309   6.7889   14.538   7.0361 -0.2281666 9.777308 
1 1 1    4   26   11 o   21.724   7.1703   4.2077   2.8379   0.8913   3.9963   7.5813   4.0307   18.020   7.7704   28.009   8.4599 -9.989780 11.48690 
1 1 1    4   26   12 o   18.898   7.0301   2.8387   2.7849   4.8187   3.8533   0.6735   4.0294   23.041   8.3179   17.716   7.7199 5.324495 11.34835 
1 1 1    4   26   13 o   17.949   6.9566   2.3867   2.7961  -0.4112   3.8864   5.3887   4.0257   16.214   7.2930   23.718   8.5096 -7.503725 11.20722 
1 1 1    4   26   14 o   12.803   5.8905  -1.2506   2.7218  -2.0151   3.7840  -0.4311   3.9177   14.493   6.7630   16.077   7.2683 -1.583857 9.928002 
1 1 1    4   26   15 o   17.896   6.9118   2.6402   2.7532  -1.0991   3.8582   6.5199   3.9300   15.118   6.9763   24.736   8.4408 -9.617773 10.95057 
1 1 1    4   26   16 o   10.850   5.2403  -3.1352   2.6960  -2.1518   3.8402  -4.0909   3.7857   13.965   6.6084   12.639   6.1297 1.325997 9.013554 
1 1 1    4   26   17 o   10.981   5.2790  -2.6290   2.6617  -2.2535   3.7577  -3.0071   3.7709   13.468   6.4199   13.009   6.2615 0.4594498 8.967852 
1 1 1    4   26   18 o   10.312   5.0456  -3.6541   2.7295  -4.3341   3.7299  -2.8701   4.0050   11.962   5.8625   13.214   6.3834 -1.252281 8.667044 
1 1 1    4   26   19 o   14.826   6.4697   1.3857   2.8386  -1.6078   3.9902   4.4527   4.0389   13.715   6.5591   19.108   8.0071 -5.392138 10.35062 
1 1 1    4   26   20 o   7.9099   4.0272  -9.0771   2.7594  -7.0549   3.9019 -11.1002   3.9029   10.797   5.4082   9.5448   4.8528 1.251880 7.266248 
1 1 1    4   26   21 o   13.622   6.1257   0.9485   2.7403   0.9916   3.9616   0.9091   3.7945   14.795   6.9091   14.601   6.7998 0.1931915 9.693999 
1 1 1    4   26   22 o   12.291   5.7358   0.3222   2.7227   2.2841   3.8552  -1.6300   3.8456   14.683   6.8433   12.207   5.9763 2.476257 9.085533 
1 1 1    4   26   23 o   8.3363   4.2148  -5.8188   2.6840  -9.4544   3.7713  -2.0876   3.8206   9.0093   4.5978   11.471   5.6803 -2.461280 7.307935 
1 1 1    4   27    0 o   9.6054   6.7326  -3.5678   3.8322  -3.5678   3.8322  -3.5678   3.8322   9.6054   6.7326   9.6054   6.7326 0.000000 0.000000 
1 1 1    4   27    1 o   22.371   7.4523   4.3484   3.0636   3.0326   4.2509   5.7705   4.4193   21.301   8.4792   25.395   8.9356 -4.094007 12.31841 
1 1 1    4   27    2 f   13.888   6.3009  -1.1831   2.9753  -2.9850   4.1908   0.6481   4.2249   15.151   7.0857   18.420   7.9663 -3.268210 10.66158 
1 1 1    4   27    3 o   14.249   6.4584  -1.1619   3.1170   2.4478   4.3973  -4.8076   4.4191   20.692   8.4832   14.415   6.8961 6.277262 10.93255 
1 1 1    4   27    4 o   17.428   7.1929   1.3795   3.1890   0.1465   4.5158   2.6062   4.5042   18.352   8.0795   20.978   8.5914 -2.626120 11.79367 
1 1 1    4   27    5 o   20.004   7.4589   3.0975   3.1385   0.7125   4.3626   5.6560   4.5185   18.616   8.0731   25.072   9.0130 -6.455967 12.09998 
1 1 1    4   27    6 o   52.467   4.3067   22.715   3.5148   26.430   4.8121   18.465   5.1461   55.730   5.5771   45.093   7.5381 10.63699 9.376911 
1 1 1    4   27    7 o   15.917   6.9285   0.2257   3.2383   3.7365   4.5873  -3.2621   4.5722   22.231   8.8217   15.562   7.3170 6.669153 11.46124 
1 1 1    4   27    8 o   16.146   6.8585   0.7897   3.0290  -6.5182   4.3499   7.6688   4.2204   13.179   6.4315   28.032   8.6933 -14.85300 10.81382 
1 1 1    4   27    9 o   16.515   6.9709   1.0187   3.0961  -0.4239   4.4893   2.3272   4.2755   17.444   7.8428   19.939   8.2878 -2.495083 11.41043 
1 1 1    4   27   10 o   11.784   5.7013  -4.2970   3.2255  -6.6697   4.2551  -1.0920   4.9453   12.796   6.2695   17.503   8.0107 -4.706123 10.17243 
1 1 1    4   27   11 o   12.799   5.9944  -2.1171   3.0182  -1.5981   4.2486  -2.6458   4.2885   15.791   7.2989   15.094   7.0936 0.6970615 10.17804 
1 1 1    4   27   12 f   16.166   6.8510   1.1344   3.0107  -4.5653   4.2953   6.6389   4.2211   13.773   6.6428   25.275   8.7434 -11.50219 10.98063 
1 1 1    4   27   13 o   12.257   5.8061  -2.3959   2.9789  -0.2298   4.2549  -4.4782   4.1717   16.474   7.4980   13.403   6.4843 3.071558 9.912901 
1 1 1    4   27   14 o   13.118   6.0666  -1.0629   2.9411  -1.8159   4.1771  -0.3225   4.1419   14.782   6.9636   15.851   7.2830 -1.068638 10.07639 
1 1 1    4   27   15 o   12.083   5.7272  -1.9634   2.9072  -2.4107   4.1519  -1.5332   4.0720   14.060   6.7149   14.515   6.8494 -0.4550076 9.591908 
1 1 1    4   27   16 o   10.802   5.2411  -3.0994   2.7755  -0.4416   3.8588  -5.9480   3.9949   14.693   6.8474   11.716   5.8032 2.976487 8.975718 
1 1 1    4   27   17 o   13.617   6.1300   0.4132   2.7522  -1.8971   3.8192   2.9090   3.9696   13.347   6.3920   17.473   7.6372 -4.125967 9.959124 
1 1 1    4   27   18 o   11.792   5.5641  -1.1863   2.6863  -1.4551   3.8205  -0.9233   3.7778   13.444   6.4261   13.743   6.5182 -0.2993202 9.153221 
1 1 1    4   27   19 o   10.906   5.2922  -2.5755   2.8325  -0.7878   4.3915  -3.8489   3.7065   14.267   6.8386   11.726   5.7666 2.540913 8.945361 
1 1 1    4   27   20 o   11.993   5.6169  -0.3116   2.6496  -3.4770   3.7373   2.8875   3.7571   11.576   5.7114   15.895   7.1581 -4.318691 9.157377 
1 1 1    4   27   21 o   12.656   5.8654   0.8793   2.7713  -5.4508   3.8733   7.5189   3.9668   10.465   5.2622   19.385   8.0136 -8.920177 9.586870 
1 1 1    4   28    0 o   8.3671   6.0144  -5.9607   3.8313  -5.9607   3.8313  -5.9607   3.8313   8.3671   6.0144   8.3671   6.0144 0.000000 0.000000 
1 1 1    4   28    1 o   12.563   5.8195  -1.7198   2.7228  -4.5429   3.8533   1.0954   3.8479   13.197   6.3463   17.986   7.6878 -4.788877 9.968802 
1 1 1    4   28    2 o   13.873   6.2332  -0.7114   2.8305   0.0909   4.0456  -1.4806   3.9614   17.234   7.6150   15.632   7.1602 1.602350 10.45258 
1 1 1    4   28    3 f   13.541   6.1485  -1.0336   2.8407  -2.7014   3.9770   0.7036   4.0589   14.682   6.8779   17.862   7.7663 -3.180318 10.37404 
1 1 1    4   28    4 o   14.390   6.3884  -0.3334   2.8808  -0.2369   4.0648  -0.4309   4.0834   16.897   7.5395   16.748   7.5088 0.1488552 10.64078 
1 1 1    4   28    5 o   12.929   5.9894  -1.7248   2.8846   1.7117   4.0990  -5.0961   4.0600   18.946   8.0100   13.257   6.4096 5.689065 10.25882 
1 1 1    4   28    6 o   17.040   6.8901   1.7297   2.8532   4.7533   4.1094  -1.0844   3.9645   22.918   8.5370   15.841   7.2205 7.077031 11.18104 
1 1 1    4   28    7 o   12.161   5.7205  -2.2636   2.8005   2.6935   3.9714  -7.1667   3.9497   19.790   8.0816   11.886   5.8659 7.903214 9.986038 
1 1 1    4   28    8 o   31.562   6.1942   9.0589   2.9584   9.6268   4.2085   8.5042   4.1595   30.782   8.4545   28.811   8.5692 1.970968 12.03785 
1 1 1    4   28    9 o   12.941   5.9803  -1.4145   2.8499  -3.8110   3.9536   1.1775   4.1117   13.561   6.4968   17.914   7.8023 -4.353550 10.15308 
1 1 1    4   28   10 o   14.527   6.4119   0.1496   2.8609  -0.9501   4.0092   1.2904   4.0836   15.591   7.1643   17.787   7.7608 -2.195990 10.56207 
1 1 1    4   28   11 o   16.318   6.7451   1.7145   2.8100   3.2343   3.9726   0.1926   3.9753   19.551   8.0445   16.265   7.3406 3.285587 10.89027 
1 1 1    4   28   12 o   13.764   6.1821  -0.0486   2.7816  -4.2782   3.9573   4.0822   3.9108   12.810   6.2252   20.181   8.0993 -7.370781 10.21533 
1 1 1    4   28   13 o   11.030   5.3338  -3.0744   2.8139  -1.9560   3.9751  -4.1978   3.9839   14.031   6.6639   12.711   6.1925 1.319916 9.097003 
1 1 1    4   28   14 o   12.830   5.9821  -0.9271   2.9504  -0.9405   4.0455  -0.9119   4.3123   14.557   6.8561   14.920   7.0428 -0.3628788 9.828893 
1 1 1    4   28   15 o   15.787   6.8239   1.9060   3.0964   2.7570   4.4094   1.0781   4.3493   17.516   7.8317   16.068   7.4118 1.448057 10.78290 
1 1 1    4   28   16 o   10.988   5.3652  -3.3122   3.0391  -3.4737   4.2213  -3.1384   4.3790   12.856   6.2871   13.232   6.4566 -0.3767347 9.011991 
1 1 1    4   28   17 f   9.8156   4.9111  -6.0587   3.1751  -8.2218   4.3238  -3.5272   4.6777   10.995   5.5327   13.244   6.5060 -2.249268 8.540443 
1 1 1    4   28   18 o   10.173   5.0766  -5.3820   3.2938  -9.3499   4.6032  -1.2189   4.7151   10.856   5.4925   14.020   6.8088 -3.163319 8.748004 
1 1 1    4   28   19 o   13.238   6.3031   0.3456   3.6016   1.0966   4.8367  -0.5892   5.3960   14.400   6.9705   13.905   6.8608 0.4954681 9.780537 
1 1 1    4   28   20 o   11.157   5.4140  -0.9994   2.9651   0.7728   4.1689  -2.8136   4.2181   13.137   6.3852   11.562   5.7656 1.575040 8.603066 
1 1 1    4   29    0 o   16.797   9.6179   3.6967   4.0106   3.6967   4.0106   3.6967   4.0106   16.797   9.6179   16.797   9.6179 0.000000 0.000000 
1 1 1    4   29    1 o   20.301   7.2758   3.6822   2.9421   6.7799   4.1957   0.6855   4.1267   25.769   8.7225   17.562   7.7281 8.206989 11.65356 
1 1 1    4   29    2 o   18.324   7.0563   2.6272   2.8633   0.0841   4.0853   5.0825   4.0142   16.895   7.5472   23.018   8.4623 -6.123074 11.33895 
1 1 1    4   29    3 o   15.473   6.5889   0.8476   2.8076   2.0815   4.0012  -0.3491   3.9405   18.849   7.9385   16.216   7.3143 2.632879 10.79440 
1 1 1    4   29    4 o   12.293   5.8462  -2.8533   3.0797  -8.5232   4.0530   4.8935   4.7375   11.431   5.6925   22.825   8.9939 -11.39412 10.64397 
1 1 1    4   29    5 o   16.220   6.9578   0.9908   3.1726   0.2768   4.8328   1.5316   4.2057   17.977   8.1052   18.337   7.9394 -0.3594837 11.34587 
1 1 1    4   29    6 f   10.275   5.0654  -5.2908   2.9205  -9.3300   4.1030  -1.1423   4.1580   11.154   5.5809   15.705   7.2454 -4.551393 9.145582 
1 1 1    4   29    7 o   17.848   7.2452   2.3602   3.1691   2.9963   4.4585   1.7105   4.5056   19.850   8.3710   18.552   8.1219 1.298378 11.66362 
1 1 1    4   29    8 o   13.926   6.4646  -1.2692   3.3870   4.2792   4.7784  -6.8713   4.8015   21.109   8.7668   13.208   6.5086 7.900228 10.91875 
1 1 1    4   29    9 o   20.743   7.7198   4.4823   3.3588   11.568   4.7016  -2.9030   4.8000   31.198   9.0658   14.961   7.1651 16.23781 11.55544 
1 1 1    4   29   10 o   23.095   7.7662   5.9821   3.3262   7.8762   4.6831   4.0539   4.7251   24.769   9.1343   20.019   8.5370 4.749861 12.50265 
1 1 1    4   29   11 o   10.866   5.3164  -3.9859   3.0279  -2.8464   4.2681  -5.1405   4.2963   13.781   6.6404   12.649   6.2181 1.131784 9.097251 
1 1 1    4   29   12 o   14.754   6.5245   1.0239   2.9757   0.2406   4.2365   1.7866   4.1807   15.514   7.2114   16.732   7.5416 -1.217784 10.43456 
1 1 1    4   29   13 o   15.850   6.6895   2.1679   2.8509   3.8158   4.0460   0.5427   4.0178   18.343   7.8627   15.247   7.0650 3.095897 10.57055 
1 1 1    4   29   14 o   18.699   7.0764   4.1177   2.8475   1.1482   4.0450   7.0349   4.0092   15.521   7.1553   22.166   8.3948 -6.644824 11.03051 
1 1 1    4   29   15 o   16.225   6.6824   2.7253   2.7447   1.4034   3.8658   4.0690   3.8976   15.392   7.0589   18.037   7.7241 -2.644359 10.46376 
1 1 1    4   29   16 o   10.193   4.9896  -3.0327   2.6775  -5.5261   3.7207  -0.3542   3.8562   10.863   5.4166   13.758   6.5428 -2.895733 8.493947 
1 1 1    4   29   17 f   9.6397   4.7736  -3.6678   2.6979  -1.0488   3.8203  -6.2735   3.8106   12.767   6.1837   10.417   5.2354 2.350620 8.102287 
1 1 1    4   29   18 o   9.7504   4.8299  -3.1276   2.7695   0.1051   4.0255  -6.0329   3.8163   12.912   6.2754   10.127   5.1089 2.784338 8.092126 
1 1 1    4   29   19 o   11.982   5.6256   0.7827   2.6861   0.9508   3.7984   0.6145   3.7991   12.743   6.1704   12.553   6.0999 0.1903124 8.676583 
1 1 1    4   30    0 o   15.478   10.053   2.1703   5.8407   2.1703   5.8407   2.1703   5.8407   15.478   10.053   15.478   10.053 0.000000 0.000000 
1 1 1    4   30    1 o   14.919   6.9867  -1.6143   4.0986  -2.0412   5.7740  -1.1808   5.8188   16.967   8.0506   17.512   8.2402 -0.5453033 11.52015 
1 1 1    4   30    2 o   15.999   7.1477   0.5113   3.6648  -1.3520   5.3163   2.1985   5.0590   16.767   7.8853   19.122   8.4790 -2.355680 11.57897 
1 1 1    4   30    3 o   14.675   6.7276  -0.5526   3.5073   0.8180   4.9120  -1.9782   5.0096   17.724   8.0626   15.902   7.5316 1.822013 11.03317 
1 1 1    4   30    4 o   12.761   6.1592  -3.5703   3.7089  -5.0475   5.2745  -2.1255   5.2164   14.556   7.0991   15.974   7.6003 -1.417893 10.40008 
1 1 1    4   30    5 o   22.966   7.9691   5.9045   3.5078   7.7837   4.9603   4.0246   4.9612   24.669   9.3388   20.275   8.6991 4.394369 12.76277 
1 1 1    4   30    6 o   14.116   6.4294  -0.1816   3.1359   0.7875   4.4450  -1.1418   4.4247   16.758   7.6412   15.291   7.1922 1.466534 10.49366 
1 1 1    4   30    7 o   12.275   5.8600  -2.2857   3.1547  -1.6278   4.4752  -2.9355   4.4479   14.880   7.0683   14.067   6.7782 0.8137150 9.793098 
1 1 1    4   30    8 o   10.737   5.2572  -3.9436   2.9778   0.8741   4.1354  -9.1316   4.2914   16.092   7.3500   11.036   5.5479 5.055532 9.208770 
1 1 1    4   30    9 o   12.577   5.9023  -1.1025   2.9507   0.9213   4.1517  -3.1682   4.1945   15.922   7.3069   13.256   6.4341 2.666530 9.735960 
1 1 1    4   30   10 o   14.468   6.4093   1.0485   2.8843  -1.5651   4.0479   3.7439   4.1107   13.812   6.6057   18.289   7.8837 -4.476909 10.28535 
1 1 1    4   30   11 o   12.080   5.7077  -1.1891   2.8447  -0.0627   4.0446  -2.2917   4.0017   14.642   6.8837   13.165   6.3647 1.477840 9.375186 
1 1 1    4   30   12 o   12.038   5.6802  -1.0225   2.7996  -2.7368   3.9449   0.7167   3.9736   12.710   6.1854   14.975   6.9688 -2.265038 9.317900 
1 1 1    4   30   13 o   16.180   6.7177   2.7612   2.8043   4.5973   4.0055   0.9960   3.9275   18.437   7.8610   14.984   6.9577 3.452342 10.49788 
1 1 1    4   30   14 o   11.094   5.3428  -1.8443   2.7542   0.3205   3.9268  -3.9401   3.8639   14.209   6.7114   11.713   5.7843 2.495919 8.860067 
1 1 1    4   30   15 o   15.868   6.6576   3.1101   2.7974   4.8437   4.0266   1.4928   3.8893   17.440   7.6555   14.498   6.7951 2.942048 10.23620 
1 1 1    4   30   16 o   12.533   5.8734   0.6952   2.9050   2.1195   4.1517  -0.6711   4.0662   14.201   6.7632   12.579   6.1559 1.621282 9.145232 
1 1 1    4   30   17 o   12.263   5.7849   0.9135   2.9009  -2.2042   4.1596   3.8658   4.0478   11.509   5.7373   14.664   6.8916 -3.154911 8.967181 
1 1 1    4   31    0 o   16.716   9.7338   4.5728   4.2147   4.5728   4.2147   4.5728   4.2147   16.716   9.7338   16.716   9.7338 0.000000 0.000000 
1 1 1    4   31    1 o   14.276   6.3940   0.5548   2.9525  -1.9070   4.0861   3.2444   4.2710   13.944   6.6600   18.329   7.9678 -4.384584 10.38471 
1 1 1    4   31    2 o   14.143   6.3651   0.4430   2.9651   0.6942   4.1602   0.1836   4.2271   15.859   7.2914   15.530   7.2136 0.3291035 10.25671 
1 1 1    4   31    3 o   19.340   7.3145   4.1993   3.0413   5.3251   4.2801   3.0513   4.3223   20.525   8.3868   18.011   7.9180 2.513994 11.53400 
1 1 1    4   31    4 o   14.907   6.6784   0.9388   3.2238   3.8796   4.8252  -1.4324   4.3328   18.812   8.3140   14.409   6.8756 4.402350 10.78870 
1 1 1    4   31    5 o   12.489   5.9422  -1.6524   3.1885   0.4118   4.2210  -4.3956   4.8660   15.431   7.1814   13.463   6.6178 1.968428 9.765639 
1 1 1    4   31    6 o   10.708   5.2330  -3.4193   2.9094  -7.3371   4.1378   0.4115   4.0916   11.170   5.5912   15.173   7.0642 -4.002980 9.009148 
1 1 1    4   31    7 o   22.446   7.3071   6.1140   2.9515   6.8886   4.1367   5.3106   4.2126   21.864   8.4648   19.746   8.2187 2.117840 11.79828 
1 1 1    4   31    8 o   16.701   6.9904   2.9258   3.0727   5.5185   4.4200   0.5008   4.2747   19.656   8.3142   15.133   7.1026 4.522165 10.93493 
1 1 1    4   31    9 o   17.339   7.1828   3.4894   3.1961   4.4341   4.5251   2.5491   4.5148   18.284   8.0673   16.652   7.6336 1.631952 11.10645 
1 1 1    4   31   10 o   14.443   6.6257   0.9328   3.4090   3.0886   4.7261  -1.4054   4.9221   16.964   7.7892   14.319   6.9548 2.645330 10.44226 
1 1 1    4   31   11 o   16.458   7.1765   3.0658   3.4872   2.3138   4.7199   3.9697   5.1747   16.141   7.5392   17.374   8.0392 -1.232605 11.02122 
1 1 1    4   31   12 o   10.755   5.3052  -3.5988   3.2199  -2.8086   4.4970  -4.4300   4.6124   12.826   6.3162   12.289   6.1123 0.5370846 8.789432 
1 1 1    4   31   13 o   10.013   4.9977  -4.5958   3.2007   2.3010   4.4945 -11.6924   4.5591   14.985   7.1080   9.8511   5.0298 5.133852 8.707612 
1 1 1    4   31   14 o   14.878   6.5917   3.1500   3.0514   4.2988   4.4060   2.0912   4.2299   15.458   7.2408   14.030   6.7213 1.427983 9.879501 
1 1 1    4   31   15 o   10.685   5.2340  -1.3683   2.9604  -3.5982   4.2121   0.8085   4.1617   10.992   5.5219   12.750   6.2370 -1.757869 8.330143 
1 1 1    4   32    0 f   20.108   11.577   8.8113   5.8588   8.8113   5.8588   8.8113   5.8588   20.108   11.577   20.108   11.577 0.000000 0.000000 
1 1 1    4   32    1 o   22.959   8.6808   8.1438   4.2828   8.0486   6.0686   8.2382   6.0450   20.790   9.2486   20.958   9.2819 -0.1678982 13.10305 
1 1 1    4   32    2 o   21.352   8.1877   6.5980   3.8439   0.6824   5.4085   12.635   5.4640   15.896   7.6111   26.382   9.8407 -10.48604 12.44060 
1 1 1    4   32    3 o   11.578   5.7067  -4.1071   3.6997   1.0562   5.3169  -8.9538   5.1513   15.995   7.6278   11.836   5.9667 4.158691 9.684258 
1 1 1    4   32    4 o   12.333   5.8989  -1.4518   3.2295  -1.3708   4.6533  -1.5271   4.4856   14.126   6.8375   13.877   6.7163 0.2485218 9.584391 
1 1 1    4   32    5 o   8.6779   4.3919  -7.7682   2.9593  -6.1994   4.1648  -9.3679   4.2057   11.345   5.6685   10.375   5.2491 0.9699535 7.725631 
1 1 1    4   32    6 o   17.435   7.0377   3.6969   2.9712   6.2375   4.1810   1.1048   4.2231   20.041   8.2501   15.146   7.0929 4.894915 10.87992 
1 1 1    4   32    7 o   10.043   4.9726  -4.1693   2.9240  -2.1649   4.1133  -6.2168   4.1574   12.933   6.2988   11.230   5.6190 1.702728 8.440899 
1 1 1    4   32    8 o   11.622   5.5568  -1.2955   2.8610  -1.0012   4.0387  -1.5920   4.0534   13.363   6.4442   13.045   6.3304 0.3177605 9.033371 
1 1 1    4   32    9 o   11.876   5.6540  -0.8555   2.8963  -2.4997   4.0972   0.7867   4.0948   12.446   6.1089   14.303   6.7844 -1.856622 9.129475 
1 1 1    4   32   10 o   10.982   5.3274  -1.7371   2.8652   2.9883   4.0154  -6.6385   4.0895   15.432   7.1197   10.573   5.3282 4.858803 8.892674 
1 1 1    4   32   11 o   12.085   5.7085   0.2405   2.8418  -0.9742   3.9989   1.4798   4.0393   12.371   6.0645   13.756   6.5840 -1.384773 8.951344 
1 1 1    4   32   12 o   11.378   5.4616  -0.2391   2.8246  -0.5505   4.0183   0.0650   3.9712   12.192   5.9973   12.464   6.0963 -0.2723598 8.551750 
1 1 1    4   32   13 o   9.8628   4.8792  -2.2506   2.7926   1.4684   3.9865  -5.8341   3.9131   12.813   6.2315   9.8743   5.0033 2.938690 7.991511 
1 1 1    4   33    0 o   12.295   8.1764   1.7518   4.2267   1.7518   4.2267   1.7518   4.2267   12.295   8.1764   12.295   8.1764 0.000000 0.000000 
1 1 1    4   33    1 o   13.407   6.1801   0.6833   3.0158  -0.1595   4.2650   1.5262   4.2651   13.939   6.6965   15.015   7.0620 -1.075763 9.732193 
1 1 1    4   33    2 o   10.873   5.2950  -2.3749   2.9047  -7.0919   4.1725   2.0609   4.0462   10.778   5.4249   15.266   7.0793 -4.488156 8.918848 
1 1 1    4   33    3 o   11.710   5.6177  -1.2411   2.9782  -6.9979   4.2271   4.4330   4.1966   10.844   5.4585   17.213   7.6722 -6.369594 9.415811 
1 1 1    4   33    4 o   9.7376   4.8485  -4.4389   2.9355  -3.6403   4.1548  -5.2348   4.1480   11.913   5.9037   11.279   5.6390 0.6336756 8.164091 
1 1 1    4   33    5 o   11.406   5.4909  -1.2759   2.9019   1.5528   4.1135  -4.0782   4.0943   14.516   6.8600   11.550   5.7468 2.965730 8.949034 
1 1 1    4   33    6 o   10.348   5.0930  -2.7887   2.9117  -3.9766   4.1113  -1.5931   4.1244   11.437   5.7018   12.473   6.1237 -1.035919 8.367182 
1 1 1    4   33    7 o   11.896   5.6726  -0.1596   2.9392   7.5136   4.1683  -7.7480   4.1452   18.852   8.0280   10.071   5.1079 8.780629 9.515232 
1 1 1    4   33    8 f   15.632   6.7542   3.9658   3.0310   2.5498   4.4568   5.1843   4.1343   14.100   6.7919   15.989   7.3205 -1.889525 9.986000 
1 1 1    4   33    9 o   9.5824   4.7757  -3.2816   2.8756  -5.6541   4.0036  -0.7535   4.1328   10.148   5.1326   12.020   5.9443 -1.872203 7.853523 
1 1 1    4   33   10 o   11.997   5.7454   0.8384   3.0847  -1.2471   4.3099   3.0286   4.4168   11.658   5.8158   13.574   6.5917 -1.915892 8.790552 
1 1 1    4   34    0 o   11.678   7.8792   2.4179   4.1895   2.4179   4.1895   2.4179   4.1895   11.678   7.8792   11.678   7.8792 0.000000 0.000000 
1 1 1    4   34    1 o   10.387   5.1128  -1.9498   2.9374   0.0726   4.0880  -4.1085   4.2235   12.454   6.1107   10.903   5.4840 1.551433 8.210662 
1 1 1    4   34    2 o   15.078   6.5950   3.7546   2.9646   5.9884   4.1550   1.4381   4.2313   16.188   7.3838   13.141   6.3974 3.047656 9.769704 
1 1 1    4   34    3 o   10.095   4.9927  -2.3051   2.9172  -5.2371   4.1226   0.6355   4.1285   10.365   5.2387   12.609   6.1774 -2.244206 8.099592 
1 1 1    4   34    4 o   10.772   5.2599  -0.9634   2.9211  -0.1484   4.1169  -1.7896   4.1452   12.112   5.9795   11.454   5.7122 0.6588326 8.269462 
1 1 1    4   34    5 o   7.5992   3.8895  -8.8211   2.8816  -8.5385   4.0883  -9.1002   4.0622   9.3220   4.7599   9.1682   4.6866 0.1537876 6.679867 
1 1 1    4   34    6 o   10.106   4.9971  -1.8323   2.9184  -3.2295   4.1634  -0.4828   4.0919   10.738   5.4066   11.686   5.8030 -0.9487906 7.931387 
1 1 1    5    0    1 f  962.663   5.9359  7275.72   89.667  7275.72   89.667  7275.72   89.667  962.663   5.9359  962.663   5.9359 0.000000 0.000000 
1 1 1    5    0    2 o  923.143   5.7092  6690.43   82.701  6690.43   82.701  6690.43   82.701  923.143   5.7092  923.143   5.7092 0.000000 0.000000 
1 1 1    5    0    3 o   43.105   2.2351   14.697   1.5026   14.697   1.5026   14.697   1.5026   43.105   2.2351   43.105   2.2351 0.000000 0.000000 
1 1 1    5    0    4 o  766.519   4.8187  4612.39   57.960  4612.39   57.960  4612.39   57.960  766.519   4.8187  766.519   4.8187 0.000000 0.000000 
1 1 1    5    0    5 o  461.422   3.8604  1671.38   27.949  1671.38   27.949  1671.38   27.949  461.422   3.8604  461.422   3.8604 0.000000 0.000000 
1 1 1    5    0    6 o   80.086   1.8851   50.413   2.3663   50.413   2.3663   50.413   2.3663   80.086   1.8851   80.086   1.8851 0.000000 0.000000 
1 1 1    5    0    7 o  102.426   1.5882   82.383   2.5514   82.383   2.5514   82.383   2.5514  102.426   1.5882  102.426   1.5882 0.000000 0.000000 
1 1 1    5    0    8 o  527.007   3.0243  2180.03   25.010  2180.03   25.010  2180.03   25.010  527.007   3.0243  527.007   3.0243 0.000000 0.000000 
1 1 1    5    0    9 o  103.742   2.2869   84.583   3.7191   84.583   3.7191   84.583   3.7191  103.742   2.2869  103.742   2.2869 0.000000 0.000000 
1 1 1    5    0   10 o  224.568   1.7920  395.810   6.3142  395.810   6.3142  395.810   6.3142  224.568   1.7920  224.568   1.7920 0.000000 0.000000 
1 1 1    5    0   11 o   64.188   1.8951   32.415   1.9052   32.415   1.9052   32.415   1.9052   64.188   1.8951   64.188   1.8951 0.000000 0.000000 
1 1 1    5    0   12 o  325.311   2.1541  830.547   10.996  830.547   10.996  830.547   10.996  325.311   2.1541  325.311   2.1541 0.000000 0.000000 
1 1 1    5    0   13 o  671.903   3.7126  3543.41   39.144  3543.41   39.144  3543.41   39.144  671.903   3.7126  671.903   3.7126 0.000000 0.000000 
1 1 1    5    0   14 o  234.906   1.8459  433.084   6.8036  433.084   6.8036  433.084   6.8036  234.906   1.8459  234.906   1.8459 0.000000 0.000000 
1 1 1    5    0   15 o   83.191   1.8345   54.387   2.3924   54.387   2.3924   54.387   2.3924   83.191   1.8345   83.191   1.8345 0.000000 0.000000 
1 1 1    5    0   16 o   79.459   2.0346   49.645   2.5334   49.645   2.5334   49.645   2.5334   79.459   2.0346   79.459   2.0346 0.000000 0.000000 
1 1 1    5    0   17 o  225.423   1.8145  398.861   6.4181  398.861   6.4181  398.861   6.4181  225.423   1.8145  225.423   1.8145 0.000000 0.000000 
1 1 1    5    0   18 o  274.178   1.9646  590.102   8.4519  590.102   8.4519  590.102   8.4519  274.178   1.9646  274.178   1.9646 0.000000 0.000000 
1 1 1    5    0   19 o   84.457   1.7466   56.060   2.3127   56.060   2.3127   56.060   2.3127   84.457   1.7466   84.457   1.7466 0.000000 0.000000 
1 1 1    5    0   20 o   56.781   1.9784   25.404   1.7580   25.404   1.7580   25.404   1.7580   56.781   1.9784   56.781   1.9784 0.000000 0.000000 
1 1 1    5    0   21 o  138.763   1.5922  151.217   3.4661  151.217   3.4661  151.217   3.4661  138.763   1.5922  138.763   1.5922 0.000000 0.000000 
1 1 1    5    0   22 o   49.301   3.7332   19.459   2.8493   19.459   2.8493   19.459   2.8493   49.301   3.7332   49.301   3.7332 0.000000 0.000000 
1 1 1    5    0   23 o   37.104   4.9764   11.441   2.7515   11.441   2.7515   11.441   2.7515   37.104   4.9764   37.104   4.9764 0.000000 0.000000 
1 1 1    5    0   24 o   22.181   7.9962   5.1923   2.5498   5.1923   2.5498   5.1923   2.5498   22.181   7.9962   22.181   7.9962 0.000000 0.000000 
1 1 1    5    0   25 o   14.104   7.8150   2.2339   2.5380   2.2339   2.5380   2.2339   2.5380   14.104   7.8150   14.104   7.8150 0.000000 0.000000 
1 1 1    5    0   26 o   61.652   3.3360   30.295   3.2058   30.295   3.2058   30.295   3.2058   61.652   3.3360   61.652   3.3360 0.000000 0.000000 
1 1 1    5    0   27 o   78.568   2.9716   48.983   3.6520   48.983   3.6520   48.983   3.6520   78.568   2.9716   78.568   2.9716 0.000000 0.000000 
1 1 1    5    0   28 o   14.210   7.8834   2.3676   2.5864   2.3676   2.5864   2.3676   2.5864   14.210   7.8834   14.210   7.8834 0.000000 0.000000 
1 1 1    5    0   29 o   14.899   7.9763   2.7370   2.5531   2.7370   2.5531   2.7370   2.5531   14.899   7.9763   14.899   7.9763 0.000000 0.000000 
1 1 1    5    0   30 o   29.315   7.0052   8.1980   2.7959   8.1980   2.7959   8.1980   2.7959   29.315   7.0052   29.315   7.0052 0.000000 0.000000 
1 1 1    5    0   31 o   15.058   7.6776   2.9827   2.2819   2.9827   2.2819   2.9827   2.2819   15.058   7.6776   15.058   7.6776 0.000000 0.000000 
1 1 1    5    0   32 o   11.486   7.3124   1.0074   2.8979   1.0074   2.8979   1.0074   2.8979   11.486   7.3124   11.486   7.3124 0.000000 0.000000 
1 1 1    5    0   33 o   12.671   6.9160   2.1628   1.9554   2.1628   1.9554   2.1628   1.9554   12.671   6.9160   12.671   6.9160 0.000000 0.000000 
1 1 1    5    0   34 o   12.489   6.6079   2.2105   1.7347   2.2105   1.7347   2.2105   1.7347   12.489   6.6079   12.489   6.6079 0.000000 0.000000 
1 1 1    5    1    0 f  245.487   2.6077  473.062   10.043  473.062   10.043  473.062   10.043  245.487   2.6077  245.487   2.6077 0.000000 0.000000 
1 1 1    5    1    1 o  177.200   1.9037  246.403   5.2938  245.911   7.4727  246.899   7.5006  177.015   2.6900  177.370   2.6947 -0.3552704 3.807571 
1 1 1    5    1    2 o  180.576   1.4119  255.871   4.0011  258.509   5.4470  252.781   5.8964  181.501   1.9124  179.477   2.0935 2.023987 2.835472 
1 1 1    5    1    3 o  391.968   1.9742  1205.66   12.144  1184.93   16.924  1227.66   17.435  388.562   2.7755  395.506   2.8091 -6.943390 3.948997 
1 1 1    5    1    4 o  228.136   1.4628  408.406   5.2372  413.852   7.4660  403.130   7.3484  229.644   2.0717  226.650   2.0660 2.994034 2.925786 
1 1 1    5    1    5 o  574.308   2.6497  2588.64   23.880  2560.19   33.412  2618.35   34.144  571.077   3.7282  577.524   3.7673 -6.446960 5.300225 
1 1 1    5    1    6 o  530.433   2.4834  2208.23   20.672  2213.52   29.307  2203.00   29.164  531.002   3.5169  529.738   3.5081 1.263733 4.967463 
1 1 1    5    1    7 o  116.668   1.5870  106.816   2.9057  109.683   4.7807  105.137   3.6591  118.211   2.5771  115.743   2.0145 2.468147 3.271012 
1 1 1    5    1    8 o  187.535   1.2799  275.981   3.7667  273.476   5.3107  278.517   5.3433  186.673   1.8128  188.386   1.8074 -1.712646 2.559891 
1 1 1    5    1    9 o  249.672   1.7671  489.203   6.9237  484.381   9.2025  495.493   10.511  248.422   2.3605  251.245   2.6658 -2.822968 3.560683 
1 1 1    5    1   10 o   90.804   1.1876   64.702   1.6923   63.532   2.3812   65.896   2.4055   89.976   1.6864   91.635   1.6728 -1.659035 2.375334 
1 1 1    5    1   11 o  170.283   1.1858  227.533   3.1689  233.950   4.5256  221.360   4.4387  172.663   1.6702  167.953   1.6841 4.710266 2.371829 
1 1 1    5    1   12 o  288.760   1.4291  654.305   6.4759  659.107   9.1909  649.571   9.1260  289.809   2.0209  287.705   2.0213 2.104095 2.858247 
1 1 1    5    1   13 o  168.238   1.2329  222.098   3.2550  217.779   4.7036  226.067   4.5091  166.590   1.7992  169.731   1.6928 -3.141266 2.470385 
1 1 1    5    1   14 o  494.204   2.0345  1916.70   15.779  1919.35   22.332  1914.06   22.296  494.508   2.8778  493.826   2.8771 0.6823730 4.069310 
1 1 1    5    1   15 f  306.222   1.5212  735.863   7.3104  748.383   10.142  722.325   10.547  308.801   2.0929  303.374   2.2153 5.427551 3.047566 
1 1 1    5    1   16 o  454.171   1.9086  1618.85   13.603  1605.61   19.092  1632.50   19.386  452.263   2.6900  456.033   2.7089 -3.769928 3.817623 
1 1 1    5    1   17 o  274.045   1.3905  589.380   5.9798  581.679   8.3825  597.360   8.5329  272.225   1.9622  275.870   1.9710 -3.644592 2.781180 
1 1 1    5    1   18 o  230.043   1.2929  415.337   4.6674  412.546   6.5756  418.171   6.6259  229.242   1.8278  230.799   1.8294 -1.557434 2.586051 
1 1 1    5    1   19 o   80.853   1.2628   51.313   1.6022   50.831   2.2788   51.785   2.2532   80.457   1.8048   81.210   1.7680 -0.7530518 2.526493 
1 1 1    5    1   20 o   47.215   1.5994   17.525   1.1834   14.848   1.7252   19.903   1.6262   43.386   2.5451   50.291   2.0649 -6.905273 3.277394 
1 1 1    5    1   21 o  114.360   1.4052  102.693   2.5219  102.584   3.3561  102.835   3.8222  114.267   1.8716  114.384   2.1293 -0.1175308 2.834912 
1 1 1    5    1   22 o   56.526   1.8300   25.138   1.6212   23.535   2.2374   26.909   2.3523   54.615   2.6181   58.414   2.5724 -3.798378 3.670349 
1 1 1    5    1   23 o   17.859   4.4065   2.6304   1.2273   2.0575   1.8840   3.0526   1.6176   16.846   5.8406   19.254   5.2224 -2.407663 7.834927 
1 1 1    5    1   24 o   38.548   3.4687   11.856   2.0759   13.099   3.2234   10.975   2.7135   40.132   5.2435   36.788   4.8157 3.344013 7.119355 
1 1 1    5    1   25 o   53.582   2.7248   22.750   2.2836   26.684   3.6266   20.164   2.9396   57.722   4.0289   50.210   3.7580 7.511688 5.509460 
1 1 1    5    1   26 o   41.911   3.1112   14.028   2.0317   15.132   2.9221   12.996   2.8269   43.182   4.3722   39.916   4.5967 3.265327 6.343944 
1 1 1    5    1   27 o   38.852   3.3149   12.135   2.0018   15.529   2.8791   8.9581   2.7853   43.670   4.2550   32.565   5.6552 11.10508 7.077153 
1 1 1    5    1   28 o   42.068   3.0739   14.213   2.0153   11.960   2.8345   16.516   2.8659   37.906   4.8780   44.978   4.1056 -7.071896 6.375782 
1 1 1    5    1   29 o   70.632   2.1487   39.621   2.3789   37.564   3.3557   41.700   3.3728   68.308   3.1389   72.062   2.9890 -3.753754 4.334319 
1 1 1    5    1   30 o   12.612   5.2069   0.6222   1.6718   4.2017   2.3397  -3.1112   2.3895   21.423   6.4401   10.321   4.9719 11.10197 8.135972 
1 1 1    5    1   31 o   22.105   5.4982   4.5111   1.8994   5.4446   2.6165   3.4710   2.7617   23.544   6.7393   19.305   7.0315 4.238647 9.739626 
1 1 1    5    1   32 o   29.404   3.5366   7.3462   1.5992   4.8532   2.2444   9.9166   2.2791   22.110   6.2127   33.526   4.4409 -11.41577 7.636697 
1 1 1    5    1   33 o   14.864   5.2625   1.9918   1.5347   3.2201   2.2040   0.8357   2.1382   17.919   6.3099   13.370   5.7233 4.548385 8.518812 
1 1 1    5    1   34 o   13.709   4.6918   1.7856   1.2144   1.3948   1.5478   2.4115   1.9587   12.920   5.1251   15.360   5.8559 -2.439402 7.781887 
1 1 1    5    2    0 o   41.217   2.5293   13.481   1.6217   13.481   1.6217   13.481   1.6217   41.217   2.5293   41.217   2.5293 0.000000 0.000000 
1 1 1    5    2    1 o  333.643   1.5897  873.516   8.3234  875.922   11.422  870.792   12.155  334.092   2.1785  333.109   2.3251 0.9826355 3.186219 
1 1 1    5    2    2 o  180.541   1.5621  255.776   4.4258  255.449   6.6299  256.038   5.9441  180.418   2.3416  180.629   2.0970 -0.2103271 3.143323 
1 1 1    5    2    3 o  205.735   1.3058  332.136   4.2161  335.186   5.9897  329.140   5.9355  206.673   1.8468  204.800   1.8468 1.872589 2.611763 
1 1 1    5    2    4 o  1043.44   4.1924  8547.75   68.649  8579.59   97.474  8516.42   96.698  1045.08   5.9433  1041.23   5.9178 3.849854 8.387141 
1 1 1    5    2    5 o  359.451   1.7288  1013.92   9.7517  1002.14   13.657  1026.17   13.929  357.338   2.4354  361.597   2.4546 -4.259857 3.457819 
1 1 1    5    2    6 o  278.604   1.4921  609.104   6.5237  618.928   9.3302  599.708   9.1250  280.828   2.1171  276.434   2.1035 4.394409 2.984422 
1 1 1    5    2    7 o  414.176   2.0595  1346.30   13.386  1349.06   18.967  1343.55   18.895  414.556   2.9155  413.709   2.9104 0.8475647 4.119516 
1 1 1    5    2    8 o  367.873   1.7577  1062.06   10.147  1048.20   14.197  1076.53   14.509  365.434   2.4756  370.338   2.4964 -4.903839 3.515810 
1 1 1    5    2    9 o  239.719   1.4521  450.954   5.4628  457.167   8.1223  445.823   7.3818  241.349   2.1445  238.340   1.9736 3.008667 2.914440 
1 1 1    5    2   10 o  213.310   1.3415  357.054   4.4906  352.551   6.3151  361.660   6.3869  211.952   1.8986  214.673   1.8959 -2.720917 2.683095 
1 1 1    5    2   11 o  312.213   1.5918  764.923   7.7990  755.642   10.935  774.533   11.127  310.299   2.2456  314.153   2.2569 -3.854492 3.183737 
1 1 1    5    2   12 o  344.076   1.6892  929.019   9.1210  943.029   13.059  915.676   12.744  346.645   2.4007  341.582   2.3775 5.063812 3.378699 
1 1 1    5    2   13 o  562.903   2.4179  2486.70   21.359  2460.91   29.907  2513.55   30.514  559.925   3.4036  565.880   3.4361 -5.954773 4.836454 
1 1 1    5    2   14 o  336.215   1.6674  887.068   8.7976  888.184   12.463  885.959   12.421  336.409   2.3607  335.987   2.3556 0.4213257 3.334981 
1 1 1    5    2   15 o  303.704   1.6971  723.829   8.0883  737.659   11.623  710.843   11.263  306.570   2.4159  300.947   2.3848 5.622894 3.394673 
1 1 1    5    2   16 f  359.450   1.7345  1013.98   9.7840  1017.77   13.877  1010.24   13.797  360.087   2.4557  358.754   2.4506 1.333374 3.469300 
1 1 1    5    2   17 o  144.926   1.2557  164.828   2.8559  162.366   4.0149  167.350   4.0631  143.829   1.7788  146.020   1.7731 -2.191193 2.511584 
1 1 1    5    2   18 o  184.907   1.4514  268.362   4.2116  269.837   5.7465  266.651   6.1904  185.389   1.9752  184.282   2.1406 1.107147 2.912641 
1 1 1    5    2   19 o   50.002   1.6946   19.653   1.3278   18.592   1.9483   20.573   1.8144   48.573   2.5651   51.125   2.2671 -2.552170 3.423387 
1 1 1    5    2   20 o   88.197   1.2741   61.065   1.7635   59.517   2.5231   62.543   2.4658   87.049   1.8469   89.239   1.7607 -2.189590 2.551730 
1 1 1    5    2   21 o   63.628   2.0706   31.852   2.0647   33.904   2.8057   29.428   3.0494   65.584   2.7321   61.040   3.1946 4.544422 4.203520 
1 1 1    5    2   22 o   8.8922   4.0850  -0.9609   1.3023   0.4210   1.8027  -2.4693   1.8834   13.126   5.4118   9.5227   4.5409 3.603510 7.064471 
1 1 1    5    2   23 o   76.295   1.8075   45.762   2.1641   49.916   3.3772   42.868   2.8189   79.541   2.7096   73.744   2.4391 5.796577 3.645703 
1 1 1    5    2   24 o   43.812   2.1005   15.146   1.4400   12.647   1.9708   18.007   2.1091   39.872   3.1760   47.678   2.8316 -7.805782 4.254924 
1 1 1    5    2   25 o   30.412   2.8142   7.3757   1.3278   8.2778   2.0262   6.6966   1.7580   31.955   4.1375   28.720   4.0096 3.235008 5.761552 
1 1 1    5    2   26 o  102.929   2.1695   83.640   3.5044   82.177   5.1691   84.884   4.7671  101.591   3.2465  103.386   2.9412 -1.795479 4.380665 
1 1 1    5    2   27 o   82.018   2.5950   53.412   3.3359   49.629   5.2394   55.990   4.3260   78.267   4.2821   83.674   3.3010 -5.407753 5.406723 
1 1 1    5    2   28 o   38.799   3.8893   12.273   2.3362   12.630   3.3027   11.916   3.3051   38.615   5.6145   37.388   5.8226 1.227116 8.088610 
1 1 1    5    2   29 o   17.245   5.8566   2.4301   1.8916  -0.9473   2.8898   4.9621   2.5022   13.844   6.2523   23.530   6.5409 -9.685871 9.048462 
1 1 1    5    2   30 o   33.217   4.2115   9.2908   2.1461   9.7868   3.0563   8.8085   3.0141   32.929   6.1402   31.026   6.4030 1.903160 8.871327 
1 1 1    5    2   31 o   20.554   5.3451   3.8857   1.7400   3.3818   2.2813   4.5865   2.6905   18.985   6.4316   21.537   6.9738 -2.552149 9.486842 
1 1 1    5    2   32 o   16.964   5.2274   2.6785   1.5288   5.4700   2.1733  -0.0559   2.1510   23.756   5.8653   12.314   5.4902 11.44238 8.033971 
1 1 1    5    2   33 o   24.348   3.8092   5.1866   1.4078   4.1265   1.9614   6.3130   2.0219   20.308   5.8419   25.875   5.1603 -5.567316 7.794656 
1 1 1    5    2   34 o   14.395   6.4431   1.3509   2.9927   7.8250   4.3398  -4.5190   4.1324   21.893   8.6138   11.930   5.9077 9.963286 10.44502 
1 1 1    5    3    0 o  110.436   1.9977   95.796   3.4595   95.796   3.4595   95.796   3.4595  110.436   1.9977  110.436   1.9977 0.000000 0.000000 
1 1 1    5    3    1 o  388.353   1.8212  1183.51   11.099  1208.20   15.972  1160.46   15.435  392.364   2.5940  384.535   2.5578 7.828949 3.642959 
1 1 1    5    3    2 o  259.344   1.4962  527.785   6.0892  530.899   8.3360  524.223   8.9162  260.100   2.0423  258.457   2.1983 1.642914 3.000543 
1 1 1    5    3    3 o  600.679   2.3841  2831.65   22.473  2814.30   31.585  2849.43   31.984  598.785   3.3612  602.509   3.3827 -3.723572 4.768668 
1 1 1    5    3    4 o  453.547   1.9063  1614.27   13.568  1622.96   19.278  1605.73   19.100  454.739   2.7014  452.318   2.6908 2.420898 3.812865 
1 1 1    5    3    5 o  185.284   1.1980  269.388   3.4833  271.712   4.9443  267.098   4.9082  186.077   1.6932  184.490   1.6953 1.586411 2.396031 
1 1 1    5    3    6 o  443.242   2.0047  1541.84   13.944  1513.41   19.387  1572.31   20.071  439.098   2.8134  447.558   2.8577 -8.460724 4.010171 
1 1 1    5    3    7 o  231.011   1.5649  418.791   5.6732  414.736   7.6347  423.791   8.4774  229.877   2.1164  232.367   2.3248 -2.490433 3.143813 
1 1 1    5    3    8 o  193.759   1.3622  294.609   4.1421  293.443   5.6321  295.984   6.1131  193.367   1.8560  194.199   2.0059 -0.8323212 2.732844 
1 1 1    5    3    9 o  122.827   1.9274  118.398   3.7151  127.184   6.4280  113.991   4.5525  127.240   3.2218  120.513   2.4072 6.727165 4.021742 
1 1 1    5    3   10 o  137.895   1.2714  149.212   2.7512  150.389   3.8943  148.038   3.8873  138.433   1.7926  137.347   1.8035 1.086243 2.542857 
1 1 1    5    3   11 o  200.230   1.3335  314.602   4.1901  314.111   5.9176  315.095   5.9338  200.068   1.8848  200.381   1.8870 -0.3131409 2.667040 
1 1 1    5    3   12 o   77.021   1.5436   46.551   1.8658   48.720   2.6854   44.526   2.5942   78.762   2.1747   75.293   2.1979 3.469566 3.091930 
1 1 1    5    3   13 o  437.585   2.0651  1502.66   14.181  1480.48   20.591  1522.68   19.560  434.309   3.0212  440.463   2.8297 -6.153687 4.139413 
1 1 1    5    3   14 o  382.864   1.8122  1150.33   10.888  1133.19   15.214  1168.33   15.589  379.976   2.5514  385.822   2.5747 -5.846252 3.624733 
1 1 1    5    3   15 o  452.091   2.0382  1604.04   14.461  1603.61   20.452  1604.46   20.449  451.987   2.8834  452.106   2.8822 -0.1198730 4.076879 
1 1 1    5    3   16 o  222.063   1.3341  386.971   4.6490  384.957   6.3670  389.271   6.8040  221.473   1.8319  222.707   1.9468 -1.234604 2.673206 
1 1 1    5    3   17 o  112.469   1.4176   99.272   2.5021   96.032   3.5234  102.568   3.5537  110.607   2.0299  114.310   1.9810 -3.702988 2.836371 
1 1 1    5    3   18 o  256.069   1.4520  514.680   5.8350  512.578   8.2607  516.774   8.2432  255.501   2.0602  256.545   2.0475 -1.044586 2.904626 
1 1 1    5    3   19 o  126.975   1.2581  126.554   2.5070  123.663   3.5697  129.368   3.5216  125.491   1.8126  128.356   1.7483 -2.865242 2.518382 
1 1 1    5    3   20 o   85.723   1.3334   57.691   1.7938   56.298   2.6071   58.943   2.4720   84.656   1.9624   86.629   1.8183 -1.973053 2.675343 
1 1 1    5    3   21 o   25.112   3.5381   5.0690   1.3557   4.8967   1.7507   5.3270   2.1428   24.468   4.7305   25.423   5.5286 -0.9552078 7.276208 
1 1 1    5    3   22 o   88.987   1.5641   62.210   2.1843   62.688   3.0679   61.719   3.1107   89.277   2.1897   88.551   2.2403 0.7258301 3.132733 
1 1 1    5    3   23 o   25.217   4.3201   5.1836   1.6482   6.0878   2.2110   4.0528   2.4726   27.161   5.3775   22.256   6.6038 4.905083 8.516296 
1 1 1    5    3   24 o   33.276   2.7347   8.7968   1.4154   8.9938   1.9922   8.5959   2.0114   33.446   3.8667   32.659   4.0084 0.7874870 5.569499 
1 1 1    5    3   25 o   61.188   1.7483   29.494   1.6771   31.131   2.3927   27.913   2.3513   62.749   2.4345   59.394   2.5284 3.354477 3.509923 
1 1 1    5    3   26 o   64.654   1.6739   32.944   1.6969   33.307   2.4000   32.582   2.3996   64.868   2.3616   64.151   2.3877 0.7169189 3.358347 
1 1 1    5    3   27 o   30.904   2.4696   7.6163   1.1877   7.4387   1.6611   7.8020   1.6990   30.278   3.5641   31.021   3.5542 -0.7424202 5.033387 
1 1 1    5    3   28 o   13.292   5.4730   0.6108   1.8404  -0.8304   2.6116   2.0328   2.5941   13.370   5.9988   17.549   6.7270 -4.179163 9.013210 
1 1 1    5    3   29 o   71.533   2.2886   40.719   2.5658   39.286   3.4283   42.545   3.8688   69.834   3.1362   72.509   3.4095 -2.674759 4.632556 
1 1 1    5    3   30 o   12.962   5.7577  -0.2851   2.3429   1.9039   3.3005  -2.5085   3.3263   17.777   7.3254   13.187   6.2127 4.590843 9.605148 
1 1 1    5    3   31 o   11.481   5.0445  -0.0257   1.7520  -3.0352   2.4887   2.9311   2.4668   10.452   5.0449   18.049   6.6340 -7.596587 8.334361 
1 1 1    5    3   32 o   6.8383   3.3978  -3.1353   1.4113  -2.3811   1.9919  -3.8955   1.9998   9.4010   4.5315   8.3374   4.1253 1.063582 6.128082 
1 1 1    5    3   33 o   13.109   4.8531   1.4187   1.3242   2.1337   1.8692   0.6981   1.8763   15.372   5.7513   12.599   5.3764 2.772326 7.872931 
1 1 1    5    3   34 o   18.703   6.5046   4.1433   2.3376   7.1202   3.3196   1.2150   3.2923   22.695   7.7573   14.453   6.5848 8.242422 10.17524 
1 1 1    5    4    0 o  599.752   3.3737  2823.17   31.751  2823.17   31.751  2823.17   31.751  599.752   3.3737  599.752   3.3737 0.000000 0.000000 
1 1 1    5    4    1 o  688.853   2.6867  3724.15   29.044  3722.71   41.061  3725.59   41.089  688.643   3.7995  688.910   3.8006 -0.2665405 5.374087 
1 1 1    5    4    2 o  269.490   1.3860  569.889   5.8614  564.090   8.2306  575.856   8.3491  268.108   1.9562  270.889   1.9640 -2.781586 2.772010 
1 1 1    5    4    3 o  328.871   1.5903  848.722   8.2077  848.884   12.006  848.579   11.246  328.886   2.3262  328.831   2.1793 0.5551147E-01 3.187568 
1 1 1    5    4    4 o  178.875   1.2029  251.072   3.3767  244.409   4.7217  258.046   4.8307  176.480   1.7049  181.337   1.6975 -4.856689 2.405894 
1 1 1    5    4    5 o  151.387   1.1713  179.837   2.7826  182.429   3.9556  177.298   3.9150  152.469   1.6532  150.310   1.6597 2.159653 2.342604 
1 1 1    5    4    6 o  216.202   1.5305  366.817   5.1927  371.898   7.1028  360.984   7.6107  217.684   2.0792  214.461   2.2613 3.222305 3.071943 
1 1 1    5    4    7 o  422.640   2.1040  1401.92   13.955  1421.09   18.491  1376.56   21.270  425.481   2.7693  418.729   3.2368 6.751404 4.259824 
1 1 1    5    4    8 o   52.936   1.8138   22.018   1.5046   23.638   2.0294   20.040   2.2419   54.828   2.3642   50.446   2.8435 4.381172 3.697954 
1 1 1    5    4    9 o  138.833   1.4416  151.253   3.1409  150.857   4.6068  151.597   4.2936  138.643   2.1174  138.984   1.9686 -0.3414459 2.891087 
1 1 1    5    4   10 o  104.881   1.4537   86.319   2.3927   86.488   3.4036   86.153   3.3642  104.979   2.0660  104.776   2.0461 0.2032700 2.907705 
1 1 1    5    4   11 o   63.383   1.7738   31.551   1.7626   27.101   2.4343   36.456   2.5556   58.703   2.6493   68.114   2.3946 -9.410461 3.571087 
1 1 1    5    4   12 f  386.503   1.8367  1172.27   11.140  1165.37   15.684  1179.30   15.826  385.344   2.5936  387.640   2.6015 -2.296417 3.673547 
1 1 1    5    4   13 o  345.501   1.5991  936.726   8.6703  922.915   12.126  951.171   12.402  342.930   2.2533  348.139   2.2700 -5.209503 3.198455 
1 1 1    5    4   14 o  392.656   1.7906  1209.93   11.033  1209.70   16.144  1210.13   15.114  392.588   2.6205  392.665   2.4527 -0.7650757E-01 3.589246 
1 1 1    5    4   15 f  297.987   1.4759  696.817   6.9019  693.817   9.7398  699.843   9.7819  297.329   2.0874  298.618   2.0874 -1.288361 2.952004 
1 1 1    5    4   16 o  127.965   1.2368  128.502   2.4838  132.505   3.5746  124.765   3.4537  129.936   1.7530  126.085   1.7455 3.851631 2.473831 
1 1 1    5    4   17 o  158.082   1.2275  196.116   3.0451  194.578   4.3108  197.648   4.3021  157.447   1.7447  158.685   1.7276 -1.237534 2.455267 
1 1 1    5    4   18 o  246.716   1.3566  477.767   5.2524  480.032   7.4620  475.543   7.3945  247.259   1.9231  246.101   1.9146 1.157990 2.713680 
1 1 1    5    4   19 o  182.675   1.2455  261.940   3.5705  262.564   5.0726  261.326   5.0268  182.856   1.7677  182.426   1.7559 0.4304810 2.491567 
1 1 1    5    4   20 o   39.710   2.0074   12.421   1.2469   11.005   1.8378   13.628   1.6973   37.257   3.1735   41.548   2.6164 -4.291119 4.112978 
1 1 1    5    4   21 o   86.696   1.2894   59.016   1.7543   60.121   2.5274   57.988   2.4369   87.473   1.8412   85.909   1.8075 1.563248 2.580148 
1 1 1    5    4   22 o   62.355   1.9378   30.596   1.8939   29.950   2.6652   31.255   2.6917   61.600   2.7640   62.934   2.7319 -1.334354 3.886303 
1 1 1    5    4   23 o  131.017   2.1218  135.073   4.3626  139.418   6.1677  130.722   6.1716  132.931   2.9566  128.694   3.0558 4.236328 4.252017 
1 1 1    5    4   24 f   62.912   2.0693   31.199   2.0402   30.796   2.9765   31.556   2.8020   62.337   3.0519   63.146   2.8348 -0.8094940 4.165340 
1 1 1    5    4   25 o   64.401   1.9634   32.709   1.9820   34.047   2.8053   31.376   2.8007   65.551   2.7330   62.897   2.8448 2.653759 3.944912 
1 1 1    5    4   26 o   58.676   1.9928   27.194   1.8323   29.166   2.4909   24.868   2.7050   60.625   2.6244   55.844   3.0988 4.780445 4.060730 
1 1 1    5    4   27 o   31.377   2.9334   7.9035   1.4277   7.1277   1.9840   8.7367   2.0561   29.353   4.4462   32.671   4.1003 -3.317862 6.048221 
1 1 1    5    4   28 o   62.291   1.7308   30.657   1.6903   32.495   2.3917   28.823   2.3891   63.937   2.3879   60.160   2.5362 3.776688 3.483462 
1 1 1    5    4   29 f   7.2236   3.4302  -1.2356   1.0522  -1.3396   1.4279  -1.1120   1.5565   8.7566   4.1082   9.5481   4.4149 -0.7915678 6.030640 
1 1 1    5    4   30 o   26.541   5.3807   6.2739   2.1643   6.3131   3.0539   6.2343   3.0677   25.510   7.2740   25.331   7.3119 0.1794205 10.31383 
1 1 1    5    4   31 o   13.491   5.4422   1.0982   1.7755   0.4881   2.2827   2.0324   2.8249   13.541   5.8560   16.741   6.8237 -3.199772 8.991971 
1 1 1    5    4   32 o   22.407   4.7023   4.5739   1.6007   4.6139   2.2631   4.5339   2.2643   21.396   6.3100   21.200   6.3267 0.1964874 8.935513 
1 1 1    5    4   33 o   9.7172   4.3611  -0.2450   1.3813   0.3734   1.9146  -0.9163   1.9947   12.130   5.3029   10.666   4.9547 1.464012 7.257434 
1 1 1    5    4   34 o   13.490   6.3189   0.1579   3.3559  -1.3510   4.6486   1.8000   4.8496   13.829   6.7265   15.727   7.4372 -1.897315 10.02785 
1 1 1    5    5    0 o  316.156   2.4659  784.520   12.233  784.520   12.233  784.520   12.233  316.156   2.4659  316.156   2.4659 0.000000 0.000000 
1 1 1    5    5    1 o  757.578   2.9274  4504.65   34.803  4459.60   48.690  4551.72   49.765  753.671   4.1167  761.410   4.1649 -7.739197 5.856052 
1 1 1    5    5    2 o  296.914   1.5172  691.789   7.0694  691.093   10.348  692.398   9.6804  296.750   2.2221  297.034   2.0767 -0.2834778 3.041487 
1 1 1    5    5    3 o  359.692   1.7478  1015.29   9.8658  1039.39   14.226  992.957   13.694  363.913   2.4911  355.694   2.4532 8.219818 3.496261 
1 1 1    5    5    4 o  203.526   1.3990  325.052   4.4682  318.813   6.0552  332.510   6.6206  201.556   1.9144  205.838   2.0496 -4.281921 2.804563 
1 1 1    5    5    5 o  399.314   1.8740  1251.36   11.744  1226.15   16.340  1278.29   16.889  395.237   2.6345  403.551   2.6669 -8.313965 3.748706 
1 1 1    5    5    6 o  255.892   1.4653  513.855   5.8843  524.615   8.4452  503.703   8.2033  258.542   2.0815  253.337   2.0634 5.204819 2.930900 
1 1 1    5    5    7 o  211.240   1.6439  350.183   5.4494  346.219   7.0030  356.267   8.6765  210.031   2.1247  213.043   2.5952 -3.012634 3.354005 
1 1 1    5    5    8 o  281.890   1.7292  623.596   7.6496  637.556   10.537  608.036   11.124  285.009   2.3558  278.326   2.5468 6.683197 3.469243 
1 1 1    5    5    9 o  148.361   1.5526  172.728   3.6148  177.246   5.2023  168.510   5.0266  150.281   2.2059  146.531   2.1859 3.750031 3.105523 
1 1 1    5    5   10 o   56.602   1.8480   25.169   1.6393   30.120   2.4142   20.932   2.2331   61.900   2.4903   51.568   2.7697 10.33242 3.724625 
1 1 1    5    5   11 o  276.900   1.5311  601.665   6.6532  600.043   9.4102  603.286   9.4079  276.516   2.1686  277.263   2.1622 -0.7463684 3.062318 
1 1 1    5    5   12 o  204.457   1.8090  328.040   5.8043  342.649   9.6900  319.865   7.2487  208.943   2.9552  201.887   2.2879 7.055283 3.737372 
1 1 1    5    5   13 o   79.517   1.7543   49.619   2.1892   52.242   3.2010   47.314   3.0006   81.549   2.5043   77.605   2.4669 3.943665 3.515259 
1 1 1    5    5   14 o  332.445   1.8293  867.331   9.5434  870.360   13.593  864.387   13.402  332.998   2.6011  331.855   2.5735 1.143341 3.659036 
1 1 1    5    5   15 o  106.220   1.7148   88.544   2.8583   92.030   4.2130   85.571   3.8908  108.281   2.4793  104.414   2.3745 3.867302 3.432983 
1 1 1    5    5   16 o   82.108   1.5369   52.909   1.9804   56.732   2.8992   49.565   2.7115   84.987   2.1756   79.434   2.1773 5.553024 3.077938 
1 1 1    5    5   17 o   78.943   1.5587   48.914   1.9310   50.926   2.8189   47.135   2.6505   80.506   2.2334   77.452   2.1828 3.053909 3.122961 
1 1 1    5    5   18 o  205.100   1.3957  330.201   4.4921  338.835   6.4854  322.240   6.2281  207.722   1.9895  202.574   1.9591 5.148132 2.792210 
1 1 1    5    5   19 o   86.633   1.4717   58.924   2.0008   58.368   2.8732   59.447   2.7880   86.197   2.1241   86.993   2.0422 -0.7967300 2.946553 
1 1 1    5    5   20 o   76.278   1.5411   45.690   1.8447   46.499   2.6801   44.961   2.5428   76.885   2.2236   75.608   2.1453 1.276802 3.089787 
1 1 1    5    5   21 o   48.798   1.9656   18.746   1.5022   16.719   2.1945   20.534   2.0606   45.967   3.0596   51.017   2.5821 -5.050476 4.003576 
1 1 1    5    5   22 o  112.331   1.3530   99.107   2.3850   97.097   3.4150  101.021   3.3325  111.126   1.9582  113.359   1.8733 -2.233047 2.709952 
1 1 1    5    5   23 o   72.075   1.9950   40.899   2.2543   40.073   3.0191   41.941   3.3889   71.241   2.7054   72.839   2.9710 -1.597908 4.018226 
1 1 1    5    5   24 o   17.152   5.2583   2.3727   1.5494   0.7398   2.2056   3.9636   2.1770   14.778   6.0272   21.805   6.1158 -7.027206 8.586621 
1 1 1    5    5   25 o   41.931   2.5149   13.944   1.6473   14.169   2.3844   13.740   2.2784   42.024   3.6518   41.405   3.5404 0.6184387 5.086226 
1 1 1    5    5   26 o   50.050   2.2590   19.840   1.7697   19.433   2.5086   20.243   2.4970   49.286   3.2618   50.331   3.1775 -1.045189 4.553660 
1 1 1    5    5   27 o   16.362   5.5408   2.1017   1.6930   1.5040   2.4312   2.6646   2.3591   16.386   6.4471   18.547   6.5283 -2.161678 9.175232 
1 1 1    5    5   28 o   20.540   5.1831   3.6294   1.6705   1.6444   2.4049   5.4800   2.3220   16.461   6.4313   25.027   5.9918 -8.566019 8.789948 
1 1 1    5    5   29 o   30.849   3.0176   7.7194   1.4422   7.7229   2.0358   7.7159   2.0435   30.316   4.4080   30.293   4.4294 0.2337074E-01 6.249060 
1 1 1    5    5   30 o   19.973   4.2432   3.4543   1.2889   1.6220   1.7959   5.4005   1.8509   14.857   5.6204   24.753   4.9380 -9.896436 7.481520 
1 1 1    5    5   31 o   27.887   2.9497   6.4329   1.2713   6.8065   1.7682   6.0331   1.8292   28.030   4.1446   26.058   4.6435 1.971395 6.224105 
1 1 1    5    5   32 o   18.734   5.3052   3.3372   1.6300   3.4499   2.2924   3.2220   2.3182   18.604   6.4430   18.108   6.4621 0.4965553 9.125289 
1 1 1    5    5   33 o   13.940   5.0601   1.7224   1.4285   0.9608   2.0354   2.4617   2.0054   13.220   5.6190   16.014   5.9641 -2.794366 8.194116 
1 1 1    5    5   34 o   14.822   6.3016   2.1771   2.5609   4.0868   3.6495   0.3245   3.5945   17.284   7.4392   13.734   6.4666 3.550893 9.856911 
1 1 1    5    6    0 o  139.703   2.7345  153.340   5.9899  153.340   5.9899  153.340   5.9899  139.703   2.7345  139.703   2.7345 0.000000 0.000000 
1 1 1    5    6    1 o  286.098   2.0429  642.364   9.1721  647.297   13.043  637.537   12.901  287.170   2.8941  284.997   2.8845 2.173004 4.086156 
1 1 1    5    6    2 o  277.603   1.8043  604.765   7.8601  611.881   11.184  597.820   11.049  279.212   2.5524  275.985   2.5512 3.226929 3.608756 
1 1 1    5    6    3 o  334.953   1.9942  880.490   10.482  896.583   15.013  865.180   14.643  337.968   2.8306  331.998   2.8105 5.970612 3.988882 
1 1 1    5    6    4 o  357.328   1.8903  1002.05   10.600  1014.40   15.131  990.155   14.854  359.489   2.6821  355.168   2.6651 4.321594 3.781075 
1 1 1    5    6    5 o  367.111   1.9221  1057.69   11.074  1060.69   15.688  1054.71   15.633  367.594   2.7196  366.556   2.7176 1.037506 3.844639 
1 1 1    5    6    6 o  195.855   1.4664  301.022   4.5070  304.771   6.4103  297.358   6.3381  197.059   2.0729  194.647   2.0749 2.411514 2.932954 
1 1 1    5    6    7 o  195.734   1.5504  300.653   4.7624  296.096   7.8531  303.304   5.9895  194.223   2.5765  196.588   1.9414 -2.365097 3.226096 
1 1 1    5    6    8 o  226.992   2.0120  404.375   7.1672  409.843   11.110  400.477   9.3799  228.492   3.0985  225.880   2.6461 2.611969 4.074623 
1 1 1    5    6    9 o  247.998   1.5891  482.632   6.1845  478.952   8.0767  487.849   9.6155  247.042   2.0833  249.317   2.4576 -2.275406 3.221827 
1 1 1    5    6   10 o  214.805   1.4620  362.073   4.9285  365.269   7.2508  359.328   6.7194  215.742   2.1416  213.982   2.0010 1.759491 2.930951 
1 1 1    5    6   11 o  260.038   1.5070  530.616   6.1498  537.747   8.7502  523.656   8.6449  261.770   2.1300  258.318   2.1326 3.452484 3.014114 
1 1 1    5    6   12 o  201.597   1.3998  318.914   4.4286  321.207   6.2773  316.641   6.2487  202.314   1.9771  200.871   1.9823 1.443192 2.799742 
1 1 1    5    6   13 o  197.074   1.4548  304.769   4.4992  293.645   6.5359  314.789   6.2028  193.434   2.1531  200.280   1.9735 -6.845993 2.920733 
1 1 1    5    6   14 o  476.947   2.1455  1785.31   16.058  1783.76   22.690  1786.86   22.730  476.688   3.0331  477.102   3.0358 -0.4136963 4.291389 
1 1 1    5    6   15 o   66.652   1.7791   34.890   1.8592   37.180   2.6737   32.745   2.5872   68.779   2.4812   64.537   2.5596 4.242004 3.564838 
1 1 1    5    6   16 o  280.407   1.5597  617.095   6.8632  611.359   9.6574  622.948   9.7554  279.069   2.2052  281.701   2.2067 -2.632507 3.119680 
1 1 1    5    6   17 o   72.591   1.8652   41.395   2.1230   44.842   3.1127   38.397   2.9030   75.513   2.6307   69.867   2.6525 5.645119 3.735824 
1 1 1    5    6   18 o  184.536   1.5176  267.340   4.3949  264.436   6.1949  270.284   6.2358  183.484   2.1515  185.502   2.1421 -2.018555 3.036002 
1 1 1    5    6   19 o  107.863   1.4182   91.342   2.4006   91.936   3.4171   90.762   3.3734  108.182   2.0128  107.489   1.9998 0.6922455 2.837350 
1 1 1    5    6   20 o   39.547   2.4077   12.343   1.4872   11.358   2.1258   13.288   2.0813   37.784   3.6297   40.943   3.2663 -3.158768 4.882951 
1 1 1    5    6   21 o  105.914   1.4691   88.109   2.4418   84.777   3.6023   90.942   3.3212  103.826   2.2109  107.561   1.9676 -3.734390 2.959624 
1 1 1    5    6   22 o   60.734   1.9201   29.033   1.8277   29.781   2.6747   28.377   2.5034   61.410   2.7826   59.957   2.6673 1.452885 3.854555 
1 1 1    5    6   23 o   38.022   2.4623   11.439   1.4613   13.530   2.1454   9.6291   1.9959   41.231   3.3444   34.668   3.7270 6.562374 5.007546 
1 1 1    5    6   24 o   36.765   2.5155   10.717   1.4426   10.029   2.1088   11.322   1.9777   35.304   3.8697   37.640   3.3843 -2.335392 5.140796 
1 1 1    5    6   25 o   36.742   3.3893   10.827   1.9322   13.157   2.7838   8.6616   2.6841   40.230   4.4856   32.235   5.5034 7.994961 7.099889 
1 1 1    5    6   26 o   70.668   2.0032   39.454   2.2192   42.599   3.0580   35.955   3.2256   73.241   2.6650   67.147   3.0692 6.093948 4.064790 
1 1 1    5    6   27 o   24.633   4.4162   5.0650   1.6444   7.0606   2.4041   3.3105   2.2543   28.785   5.5228   19.870   6.3790 8.914654 8.437642 
1 1 1    5    6   28 o   36.982   2.8636   10.990   1.6490   9.4560   2.3624   12.447   2.3028   33.666   4.5910   39.034   3.8076 -5.367729 5.964461 
1 1 1    5    6   29 o   18.393   5.0508   2.9440   1.5022   4.4841   2.1423   1.4541   2.1071   22.371   5.9851   15.311   6.0086 7.060349 8.480873 
1 1 1    5    6   30 o   15.889   5.3026   2.1754   1.5509   2.2618   2.3201   2.1056   2.0853   16.839   6.3842   16.250   6.0757 0.5899143 8.813189 
1 1 1    5    6   31 o   20.058   4.9637   3.6931   1.5539   3.5458   2.2162   3.8356   2.1792   19.111   6.3375   19.815   6.2619 -0.7043056 8.909341 
1 1 1    5    6   32 o   24.579   3.7853   5.2476   1.4133   6.4567   1.9766   3.9831   2.0215   26.482   4.9378   20.010   5.9793 6.472420 7.754628 
1 1 1    5    6   33 o   9.9744   4.0911   0.5090   1.0232   3.1558   1.4054  -2.4768   1.4927   18.095   4.8506   7.5228   3.6914 10.57195 6.095503 
1 1 1    5    6   34 o   10.620   4.4563   0.6579   1.2536   0.6651   1.7112   0.6496   1.8418   11.538   5.0291   11.741   5.1648 -0.2029285 7.208831 
1 1 1    5    7    0 o  308.483   2.1386  746.879   10.352  746.879   10.352  746.879   10.352  308.483   2.1386  308.483   2.1386 0.000000 0.000000 
1 1 1    5    7    1 o  174.189   1.2544  238.095   3.4290  239.583   4.8703  236.633   4.8287  174.725   1.7762  173.646   1.7720 1.078781 2.508936 
1 1 1    5    7    2 o  312.409   1.5252  765.910   7.4776  764.138   10.560  767.693   10.590  312.029   2.1565  312.754   2.1577 -0.7249146 3.050621 
1 1 1    5    7    3 o  101.668   1.3053   81.111   2.0826   83.777   2.9682   78.527   2.9229  103.320   1.8306  100.030   1.8620 3.289886 2.611179 
1 1 1    5    7    4 o  186.079   1.3211  271.716   3.8578  264.224   5.2156  280.767   5.7326  183.488   1.8113  189.142   1.9313 -5.654434 2.647797 
1 1 1    5    7    5 o   62.518   1.7837   30.699   1.7482   30.880   2.4547   30.512   2.4904   62.673   2.5009   62.295   2.5529 0.3773117 3.573724 
1 1 1    5    7    6 o  239.090   1.4671  448.593   5.5046  459.492   7.8679  438.143   7.7041  241.964   2.0721  236.275   2.0778 5.688110 2.934381 
1 1 1    5    7    7 o  319.323   1.6657  800.193   8.3472  797.155   11.760  803.276   11.850  318.694   2.3515  319.915   2.3603 -1.220886 3.331710 
1 1 1    5    7    8 o  348.992   2.6674  955.950   14.609  951.511   20.510  960.522   20.813  348.130   3.7542  349.773   3.7918 -1.642548 5.335890 
1 1 1    5    7    9 o  340.016   1.7917  907.245   9.5602  923.225   13.233  889.798   13.827  342.980   2.4585  336.709   2.6168 6.271210 3.590526 
1 1 1    5    7   10 o  267.625   1.4872  562.033   6.2459  552.877   8.5088  572.732   9.1975  265.428   2.0427  270.150   2.1695 -4.721802 2.979847 
1 1 1    5    7   11 o  225.875   1.3669  400.350   4.8453  396.425   6.8270  404.334   6.8779  224.758   1.9356  226.990   1.9308 -2.231064 2.733957 
1 1 1    5    7   12 o   77.153   2.1179   46.750   2.5618   50.392   3.4850   42.468   3.7789   80.080   2.7773   73.481   3.2853 6.598953 4.301968 
1 1 1    5    7   13 o  161.439   1.3155  204.517   3.3327  202.176   4.7144  206.855   4.7120  160.506   1.8717  162.353   1.8494 -1.847168 2.631266 
1 1 1    5    7   14 o  235.922   1.3933  436.775   5.1585  433.263   7.2852  440.307   7.3053  234.960   1.9758  236.862   1.9653 -1.902557 2.786792 
1 1 1    5    7   15 f  125.795   1.3642  124.182   2.6930  121.433   3.8242  126.887   3.7930  124.385   1.9591  127.149   1.9009 -2.764107 2.729785 
1 1 1    5    7   16 o  239.232   1.5462  449.192   5.8050  451.226   8.6404  447.518   7.8371  239.734   2.2967  238.759   2.0917 0.9749908 3.106395 
1 1 1    5    7   17 o   78.214   1.5904   48.022   1.9521   47.511   2.8086   48.499   2.7152   77.744   2.3046   78.554   2.2048 -0.8103333 3.189389 
1 1 1    5    7   18 o  138.352   1.3911  150.264   3.0203  153.361   4.5631  147.850   4.0292  139.729   2.0810  137.210   1.8712 2.519363 2.798584 
1 1 1    5    7   19 o   34.415   2.8210   9.3786   1.5102   9.6588   2.2098   9.1331   2.0687   34.752   4.1329   33.805   3.9754 0.9473572 5.734484 
1 1 1    5    7   20 o  106.472   1.5477   89.036   2.5859   92.027   3.7800   86.404   3.5454  108.191   2.2264  104.840   2.1549 3.350334 3.098427 
1 1 1    5    7   21 o   29.835   3.5548   7.1261   1.6317   5.3596   2.4343   8.5673   2.1988   25.399   6.1694   32.598   4.4113 -7.199602 7.584229 
1 1 1    5    7   22 o   29.768   3.1185   7.0691   1.4352   6.8154   2.1138   7.2861   1.9549   28.895   4.8320   30.017   4.2702 -1.122524 6.448528 
1 1 1    5    7   23 o   49.873   1.9837   19.606   1.5495   23.397   2.2649   16.271   2.1245   54.395   2.6614   45.283   3.0065 9.111504 4.015241 
1 1 1    5    7   24 o   19.384   4.3344   3.1184   1.2854   2.7203   1.8683   3.4762   1.7711   18.381   5.7966   20.390   5.4362 -2.008980 7.946880 
1 1 1    5    7   25 f   23.091   3.4309   4.3357   1.2055   3.6775   1.7849   4.8878   1.6347   20.869   5.4068   24.292   4.4522 -3.423803 7.003991 
1 1 1    5    7   26 o   40.523   3.5914   13.248   2.2603   14.234   3.3128   12.390   3.0916   41.415   5.2124   38.590   5.2405 2.825447 7.391300 
1 1 1    5    7   27 o   22.367   6.4567   4.3611   2.3920   3.1892   3.4573   5.4373   3.3129   20.756   7.8101   24.734   7.7073 -3.977556 10.97271 
1 1 1    5    7   28 o   15.424   6.0234   1.4405   2.1088   0.1015   2.7630   3.3087   3.2637   14.788   6.4187   20.483   7.6122 -5.694943 9.957212 
1 1 1    5    7   29 o   8.7317   4.1712  -1.9502   1.6044  -2.7845   2.1882  -0.9805   2.3592   9.9862   4.7972   12.248   5.5780 -2.262195 7.357098 
1 1 1    5    7   30 o   35.874   2.9884   10.557   1.6671   11.787   2.3828   9.3781   2.3333   37.197   4.1527   32.809   4.6630 4.388508 6.244085 
1 1 1    5    7   31 f   33.027   3.1387   9.0973   1.6073   8.3733   2.2500   9.8516   2.2967   30.475   4.8686   33.397   4.4962 -2.922348 6.627172 
1 1 1    5    7   32 o   17.043   5.1780   2.7529   1.5069   3.1942   2.2652   2.4026   2.0182   17.915   6.3884   16.152   5.9891 1.763254 8.756766 
1 1 1    5    7   33 o   20.282   4.6113   3.9243   1.4344   5.7049   2.0211   2.1172   2.0361   23.684   5.5375   14.981   5.8982 8.703345 8.090302 
1 1 1    5    7   34 o   8.4212   3.8305  -0.2612   1.1084  -0.7888   1.5374   0.3098   1.5994   9.0634   4.2555   10.705   4.7559 -1.641525 6.381869 
1 1 1    5    8    0 o   53.620   2.5919   22.722   2.1694   22.722   2.1694   22.722   2.1694   53.620   2.5919   53.620   2.5919 0.000000 0.000000 
1 1 1    5    8    1 o  143.625   1.4352  161.878   3.2348  162.817   4.7973  161.095   4.3805  144.031   2.1224  143.270   1.9483 0.7605286 2.881072 
1 1 1    5    8    2 o  147.677   1.2767  171.137   2.9587  170.068   4.1825  172.207   4.1860  147.208   1.8105  148.131   1.8007 -0.9229126 2.553509 
1 1 1    5    8    3 o  351.021   1.6454  966.962   9.0640  961.551   12.765  972.464   12.872  350.011   2.3240  351.991   2.3303 -1.980316 3.291142 
1 1 1    5    8    4 o  339.866   1.6150  906.474   8.6134  923.124   12.344  890.674   12.025  342.948   2.2936  336.867   2.2747 6.080688 3.230257 
1 1 1    5    8    5 o  191.714   1.3194  288.421   3.9696  286.759   5.6013  290.097   5.6266  191.153   1.8672  192.262   1.8649 -1.109222 2.638991 
1 1 1    5    8    6 o  106.711   1.3996   89.358   2.3438   83.191   3.2848   95.755   3.3453  102.957   2.0330  110.459   1.9299 -7.502060 2.803159 
1 1 1    5    8    7 o  328.925   1.5964  849.016   8.2405  843.220   11.607  854.907   11.701  327.783   2.2565  330.046   2.2591 -2.263519 3.193016 
1 1 1    5    8    8 o  258.862   1.6631  525.843   6.7559  515.050   9.4127  537.311   9.7025  256.179   2.3413  261.656   2.3629 -5.477142 3.326448 
1 1 1    5    8    9 o  149.372   1.3886  175.083   3.2549  172.137   4.4483  178.478   4.7755  148.106   1.9139  150.809   2.0178 -2.702484 2.781098 
1 1 1    5    8   10 o  199.778   1.7752  313.196   5.5655  315.230   7.5356  310.755   8.2552  200.418   2.3959  198.986   2.6436 1.431564 3.567786 
1 1 1    5    8   11 o  112.122   1.6653   98.650   2.9301   91.987   4.0213  106.191   4.2782  108.264   2.3669  116.323   2.3436 -8.058578 3.330875 
1 1 1    5    8   12 o  192.682   1.5685  291.344   4.7428  290.540   6.1874  292.488   7.3851  192.409   2.0492  193.046   2.4377 -0.6369019 3.184595 
1 1 1    5    8   13 o  190.421   1.4595  284.545   4.3614  282.060   6.1257  287.100   6.2111  189.578   2.0590  191.264   2.0693 -1.686111 2.919194 
1 1 1    5    8   14 o  152.282   1.4651  181.984   3.5012  185.629   4.9937  178.460   4.9102  153.789   2.0691  150.790   2.0750 2.999222 2.930368 
1 1 1    5    8   15 o  202.186   1.5173  320.827   4.8142  329.745   7.0846  313.177   6.5621  204.953   2.2027  199.742   2.0935 5.211090 3.038831 
1 1 1    5    8   16 o  246.839   1.5307  478.241   5.9293  483.751   8.4590  472.919   8.3135  248.216   2.1716  245.422   2.1586 2.793793 3.061912 
1 1 1    5    8   17 f   49.178   2.4219   19.046   1.8634   18.241   2.6325   19.854   2.6379   48.025   3.5173   50.129   3.3729 -2.103924 4.873174 
1 1 1    5    8   18 o  151.339   1.4480  179.815   3.4388  183.313   4.9432  176.534   4.7871  152.759   2.0620  149.910   2.0349 2.848755 2.896999 
1 1 1    5    8   19 o   99.792   1.5876   78.207   2.4862   78.558   3.5676   77.875   3.4665   99.970   2.2741   99.538   2.2192 0.4313431 3.177435 
1 1 1    5    8   20 o   53.472   2.2103   22.521   1.8507   20.843   2.6587   24.099   2.5778   51.310   3.3197   55.232   2.9852 -3.921936 4.464504 
1 1 1    5    8   21 o   54.308   2.1731   23.238   1.8483   20.268   2.6806   25.931   2.5520   50.555   3.3985   57.292   2.8474 -6.736816 4.433701 
1 1 1    5    8   22 o   95.816   1.6940   72.171   2.5472   70.333   3.7101   73.810   3.5034   94.450   2.5053   96.820   2.3058 -2.370262 3.404895 
1 1 1    5    8   23 o   44.967   2.6228   16.012   1.8428   15.205   2.7041   16.711   2.5180   43.551   4.0012   45.776   3.5325 -2.225086 5.337418 
1 1 1    5    8   24 o   58.172   1.8621   26.681   1.6977   28.073   2.4371   25.369   2.3663   59.534   2.6149   56.577   2.6727 2.957405 3.739142 
1 1 1    5    8   25 o   15.419   4.8798   1.9096   1.3230   3.0738   1.8910   0.7934   1.8516   19.212   5.7927   13.794   5.5601 5.417348 8.029361 
1 1 1    5    8   26 o   45.849   1.9792   16.635   1.4207   16.766   2.0730   16.519   1.9509   45.809   2.8985   45.512   2.7443 0.2975731 3.991564 
1 1 1    5    8   27 o   34.957   3.4483   9.9102   1.8671   10.313   2.6807   9.5310   2.6019   35.061   5.0147   33.654   5.0852 1.407566 7.141816 
1 1 1    5    8   28 o   9.4048   4.4467  -1.8064   1.7320  -0.8977   2.5815  -2.5503   2.3358   13.073   5.9062   10.719   5.0959 2.354310 7.800683 
1 1 1    5    8   29 o   28.200   4.6156   6.8368   1.9720   5.9195   2.8261   7.7074   2.7530   24.962   6.9560   29.017   6.2318 -4.054338 9.339217 
1 1 1    5    8   30 o   11.267   4.9629  -0.0759   1.7058  -0.4192   2.2913   0.3508   2.5549   12.396   5.5855   13.963   6.1143 -1.566818 8.281494 
1 1 1    5    8   31 o   29.763   3.9874   7.6911   1.8156   12.817   2.6024   2.8309   2.5341   38.111   4.4340   17.464   6.6601 20.64643 8.001036 
1 1 1    5    8   32 o   27.330   4.2091   6.6581   1.7474   7.4419   2.4526   5.8501   2.4902   27.453   5.8706   23.617   6.5101 3.835938 8.766125 
1 1 1    5    8   33 o   8.8707   4.1695  -0.9444   1.4827   0.2380   2.1272  -2.0614   2.0677   11.938   5.3802   9.4820   4.5820 2.455827 7.066946 
1 1 1    5    9    0 o  232.229   1.9546  423.301   7.1223  423.301   7.1223  423.301   7.1223  232.229   1.9546  232.229   1.9546 0.000000 0.000000 
1 1 1    5    9    1 o  103.434   1.3999   83.956   2.2723   84.321   3.2286   83.598   3.1985  103.653   1.9849  103.208   1.9748 0.4451599 2.799914 
1 1 1    5    9    2 o  315.025   1.5642  778.797   7.7329  778.024   10.927  779.572   10.945  314.847   2.2116  315.160   2.2129 -0.3129883 3.128619 
1 1 1    5    9    3 o  203.855   1.5092  326.116   4.8281  325.883   7.1279  326.313   6.5630  203.768   2.2291  203.906   2.0510 -0.1385498 3.029073 
1 1 1    5    9    4 o  381.952   1.7456  1144.88   10.463  1149.04   14.833  1140.77   14.761  382.616   2.4703  381.237   2.4673 1.378754 3.491392 
1 1 1    5    9    5 o  243.820   1.4246  466.504   5.4510  480.972   7.8335  452.921   7.5901  247.561   2.0164  240.233   2.0133 7.327576 2.849394 
1 1 1    5    9    6 o  518.964   2.1584  2113.64   17.578  2140.31   25.150  2088.17   24.579  522.177   3.0691  515.780   3.0366 6.397827 4.317432 
1 1 1    5    9    7 o  317.941   1.5907  793.248   7.9370  781.379   11.119  805.579   11.333  315.539   2.2455  320.388   2.2541 -4.848816 3.181661 
1 1 1    5    9    8 o  499.824   2.2466  1960.57   17.622  1973.97   27.053  1950.70   23.225  501.475   3.4377  498.534   2.9687 2.940857 4.542081 
1 1 1    5    9    9 o   55.607   2.2419   24.306   1.9524   24.771   2.6695   23.770   2.8629   56.097   3.0438   54.929   3.3370 1.167446 4.516629 
1 1 1    5    9   10 o  221.367   1.5026  384.535   5.2199  382.815   7.3620  386.275   7.4023  220.863   2.1241  221.859   2.1261 -0.9958038 3.005328 
1 1 1    5    9   11 o  198.314   1.4895  308.618   4.6354  305.124   6.5180  312.193   6.5936  197.179   2.1064  199.450   2.1066 -2.271194 2.979064 
1 1 1    5    9   12 o  220.249   1.5088  380.674   5.2151  371.275   7.2869  390.542   7.4668  217.501   2.1349  223.073   2.1330 -5.572113 3.017827 
1 1 1    5    9   13 o  321.351   1.7156  810.415   8.6519  816.499   12.283  804.425   12.188  322.528   2.4268  320.135   2.4261 2.393402 3.431544 
1 1 1    5    9   14 o  226.258   1.4369  401.748   5.1021  397.806   7.2115  405.698   7.2194  225.126   2.0412  227.349   2.0235 -2.222641 2.874226 
1 1 1    5    9   15 o   74.161   1.8067   43.171   2.1026   39.057   2.9631   47.343   2.9841   70.472   2.6842   77.610   2.4532 -7.138435 3.636334 
1 1 1    5    9   16 o  258.038   1.5869  522.686   6.4260  516.707   9.0293  528.823   9.1474  256.500   2.2432  259.490   2.2463 -2.989532 3.174538 
1 1 1    5    9   17 o   93.565   1.7013   68.740   2.4981   71.316   3.5538   66.225   3.5122   95.269   2.3770   91.770   2.4409 3.498795 3.407082 
1 1 1    5    9   18 o  150.006   1.5086  176.685   3.5513  176.077   5.0265  177.291   5.0180  149.695   2.1397  150.211   2.1287 -0.5160217 3.018242 
1 1 1    5    9   19 o   99.369   1.5530   77.551   2.4218   81.258   3.5249   74.236   3.3330  101.668   2.2093   97.178   2.1856 4.489990 3.107694 
1 1 1    5    9   20 o   29.343   3.6750   6.9043   1.6553   5.7474   2.3910   7.9692   2.2939   26.335   5.9287   31.343   4.8177 -5.008089 7.639365 
1 1 1    5    9   21 o   34.677   3.1413   9.5664   1.6910   6.7952   2.4383   12.134   2.3471   28.692   5.6165   38.964   3.8904 -10.27186 6.832251 
1 1 1    5    9   22 o   93.555   1.5848   68.802   2.3268   68.418   3.3507   69.158   3.2336   93.202   2.2909   93.719   2.1986 -0.5167770 3.175211 
1 1 1    5    9   23 o   10.112   4.5321  -0.6376   1.4863  -3.5286   2.1438   2.0384   2.0625   9.5109   4.6126   17.010   6.0924 -7.499204 7.641533 
1 1 1    5    9   24 o   56.013   2.0097   24.771   1.7637   21.375   2.5037   28.115   2.4848   51.804   3.0938   59.544   2.6660 -7.740070 4.083999 
1 1 1    5    9   25 o   25.384   4.4976   5.3513   1.7261   2.5634   2.4605   8.0526   2.4220   18.562   6.6536   31.053   5.1503 -12.49152 8.414057 
1 1 1    5    9   26 o   45.664   2.2616   16.553   1.6156   18.497   2.3526   14.818   2.2227   48.028   3.1385   42.905   3.3271 5.122292 4.573862 
1 1 1    5    9   27 o   16.350   4.8192   2.2501   1.3204   0.8241   1.9018   3.5774   1.8347   13.814   5.6107   20.324   5.5821 -6.510135 7.914523 
1 1 1    5    9   28 o   41.852   2.1002   13.946   1.3749   16.809   2.1898   12.083   1.7666   45.590   3.0788   38.678   2.9323 6.911816 4.251761 
1 1 1    5    9   29 o   15.267   5.6223   1.8218   1.7732   6.5027   2.5475  -2.5777   2.4697   26.410   6.2453   10.882   5.1920 15.52861 8.121636 
1 1 1    5    9   30 o   18.187   5.6599   3.0965   1.7872   1.4368   2.6132   4.5549   2.4497   15.470   6.4586   21.396   6.6211 -5.926221 9.249482 
1 1 1    5    9   31 o   20.114   5.8552   3.9850   1.9596   9.3322   2.8562  -0.7707   2.6936   30.854   6.1151   12.638   5.8308 18.21616 8.449422 
1 1 1    5    9   32 o   11.279   4.8843   0.3431   1.5922   0.2952   2.2637   0.3900   2.2400   12.706   5.6507   12.784   5.6566 -0.7817841E-01 7.995458 
1 1 1    5    9   33 o   12.723   5.0696   1.3883   1.5210   3.0105   2.1541  -0.2246   2.1479   16.301   6.1580   11.292   5.2089 5.008724 8.065596 
1 1 1    5   10    0 o  122.175   2.1313  117.242   4.0835  117.242   4.0835  117.242   4.0835  122.175   2.1313  122.175   2.1313 0.000000 0.000000 
1 1 1    5   10    1 o  204.650   1.3771  328.654   4.4226  332.118   6.2863  325.259   6.2232  205.716   1.9473  203.581   1.9479 2.135513 2.754308 
1 1 1    5   10    2 o  210.659   1.4368  348.238   4.7500  333.587   6.8478  361.825   6.5944  206.168   2.1165  214.720   1.9570 -8.551987 2.882630 
1 1 1    5   10    3 o  367.386   1.7234  1059.20   9.9360  1061.69   14.090  1056.74   14.014  367.794   2.4411  366.935   2.4337 0.8586731 3.447007 
1 1 1    5   10    4 o  105.741   1.6714   87.743   2.7735   85.785   4.0747   89.433   3.7857  104.547   2.4836  106.749   2.2598 -2.201691 3.357827 
1 1 1    5   10    5 o  333.694   1.7489  873.820   9.1582  878.155   12.977  869.519   12.926  334.501   2.4722  332.852   2.4746 1.648895 3.497932 
1 1 1    5   10    6 o  272.897   1.6121  584.402   6.9041  575.485   9.6504  593.752   9.8814  270.795   2.2709  275.058   2.2892 -4.263794 3.224530 
1 1 1    5   10    7 o  439.963   2.0645  1519.04   14.254  1536.28   20.342  1502.41   19.979  442.422   2.9299  437.518   2.9099 4.903656 4.129389 
1 1 1    5   10    8 o   96.992   1.6885   73.822   2.5701   71.083   3.7193   76.325   3.5554   95.138   2.4933   98.619   2.2973 -3.480637 3.390346 
1 1 1    5   10    9 o  297.340   1.5725  693.779   7.3374  694.718   10.386  692.845   10.367  297.529   2.2245  297.127   2.2233 0.4013062 3.145050 
1 1 1    5   10   10 o  403.357   1.9567  1276.80   12.386  1273.95   17.534  1279.64   17.498  402.875   2.7734  403.775   2.7615 -0.8995361 3.913754 
1 1 1    5   10   11 o  108.593   1.6530   92.542   2.8169   88.840   3.9926   96.213   3.9750  106.391   2.3913  110.719   2.2877 -4.328049 3.309408 
1 1 1    5   10   12 o   68.230   2.1094   36.572   2.2559   32.726   3.2210   40.275   3.1605   64.485   3.1929   71.574   2.8193 -7.088966 4.259483 
1 1 1    5   10   13 o  310.911   1.7111  758.650   8.3485  754.246   11.833  763.014   11.780  309.975   2.4326  311.773   2.4078 -1.797882 3.422663 
1 1 1    5   10   14 o  191.046   1.5114  286.452   4.5312  284.763   6.4777  288.071   6.3406  190.458   2.1673  191.563   2.1092 -1.105484 3.024192 
1 1 1    5   10   15 o  233.883   1.6108  429.387   5.9122  432.189   8.7993  427.081   7.9824  234.589   2.3902  233.216   2.1811 1.373337 3.235757 
1 1 1    5   10   16 o  260.436   1.6052  532.511   6.5604  524.427   9.3139  540.470   9.2421  258.374   2.2971  262.303   2.2452 -3.929077 3.212099 
1 1 1    5   10   17 o  121.667   1.6414  116.238   3.1339  111.574   4.3314  121.363   4.5400  119.156   2.3163  124.272   2.3280 -5.116173 3.284023 
1 1 1    5   10   18 o   84.134   1.8167   55.605   2.3986   56.484   3.5077   54.834   3.2872   84.700   2.6422   83.466   2.5125 1.234032 3.646064 
1 1 1    5   10   19 o  132.282   1.5647  137.450   3.2483  135.092   4.6973  139.611   4.4967  131.063   2.2838  133.255   2.1503 -2.191727 3.136852 
1 1 1    5   10   20 o   46.297   2.8493   16.955   2.0601   14.756   2.8705   19.290   2.9583   42.942   4.3181   49.238   3.8594 -6.296242 5.791452 
1 1 1    5   10   21 o   74.256   2.1436   43.430   2.4953   45.548   3.5630   41.391   3.4957   75.912   2.9968   72.343   3.0863 3.569077 4.301842 
1 1 1    5   10   22 o   68.742   2.2193   37.266   2.3910   38.440   3.4254   36.150   3.3390   69.644   3.1423   67.530   3.1595 2.114250 4.456060 
1 1 1    5   10   23 o   77.533   1.8588   47.340   2.2616   45.428   3.2056   49.236   3.1912   75.751   2.7009   78.896   2.5810 -3.145035 3.735817 
1 1 1    5   10   24 o   26.069   4.4201   5.6111   1.7437   3.9981   2.5389   7.0513   2.3990   21.825   6.7383   28.972   5.4772 -7.146448 8.683610 
1 1 1    5   10   25 o   37.835   3.0598   11.476   1.8013   8.5556   2.5994   14.175   2.4984   31.890   5.3855   41.831   3.8490 -9.940922 6.619569 
1 1 1    5   10   26 o   17.520   5.6094   2.5385   1.7440  -0.8349   2.4590   5.9528   2.4738   12.944   5.8133   26.112   6.1409 -13.16771 8.456015 
1 1 1    5   10   27 o   23.044   5.4983   4.6294   1.9605   1.2901   2.8211   7.7483   2.7265   16.571   6.7944   29.709   6.0536 -13.13811 9.100011 
1 1 1    5   10   28 o   12.404   4.9362   0.8090   1.4403   3.9581   2.1078  -1.9492   1.9727   20.969   6.0633   10.041   4.7468 10.92882 7.700345 
1 1 1    5   10   29 o   11.578   4.5734   0.7738   1.2277   1.5049   1.8200   0.1633   1.6631   14.534   5.6180   11.590   5.0054 2.943268 7.524360 
1 1 1    5   10   30 o   12.506   5.4083   0.3945   1.9469   2.6314   2.7951  -1.7136   2.7133   17.400   6.8920   11.938   5.6202 5.462523 8.893059 
1 1 1    5   10   31 o   8.6999   4.2319  -2.5973   1.8411  -0.0784   2.6627  -4.9046   2.5484   13.232   5.9862   9.2393   4.5865 3.992632 7.541217 
1 1 1    5   10   32 o   14.576   5.7413   1.8858   1.9299  -2.8106   3.3659   4.1857   2.3555   11.923   5.7816   19.402   6.5355 -7.479546 8.725821 
1 1 1    5   10   33 o   9.8821   4.5841  -0.4777   1.6984  -1.9025   2.2265   1.5053   2.6266   9.7947   4.7384   13.781   6.1102 -3.986592 7.732191 
1 1 1    5   11    0 o  169.664   2.8089  226.088   7.4742  226.088   7.4742  226.088   7.4742  169.664   2.8089  169.664   2.8089 0.000000 0.000000 
1 1 1    5   11    1 o  320.757   2.1622  807.435   10.884  816.997   16.416  799.935   14.538  322.614   3.2424  319.241   2.9019 3.373657 4.351357 
1 1 1    5   11    2 o  413.034   2.1529  1338.83   13.954  1332.98   19.634  1344.80   19.837  412.095   3.0360  413.918   3.0538 -1.822723 4.306206 
1 1 1    5   11    3 o  317.330   1.8675  790.231   9.3000  785.372   13.074  795.209   13.232  316.333   2.6336  318.308   2.6490 -1.974609 3.735326 
1 1 1    5   11    4 o  297.526   1.9184  694.674   8.9571  702.029   13.303  688.573   12.115  299.074   2.8344  296.201   2.6063 2.873657 3.850513 
1 1 1    5   11    5 o  355.623   1.8280  992.440   10.202  993.709   14.401  991.162   14.454  355.831   2.5789  355.375   2.5918 0.4565735 3.656210 
1 1 1    5   11    6 o  163.619   1.5402  210.077   3.9548  213.819   5.5970  206.345   5.5887  165.064   2.1607  162.153   2.1962 2.910767 3.080941 
1 1 1    5   11    7 o  185.626   1.5532  270.388   4.5246  272.070   6.3730  268.679   6.4247  186.195   2.1811  185.031   2.2126 1.164368 3.106876 
1 1 1    5   11    8 o  240.312   1.7902  453.185   6.7511  448.170   9.8122  457.694   9.3032  238.963   2.6165  241.492   2.4548 -2.529083 3.587827 
1 1 1    5   11    9 o   44.751   3.1776   15.799   2.2171   15.005   3.0819   16.652   3.1917   43.470   4.5869   45.829   4.4957 -2.358631 6.422691 
1 1 1    5   11   10 o  232.448   1.6315  424.019   5.9513  427.602   8.7013  420.870   8.1577  233.411   2.3755  231.570   2.2448 1.841385 3.268368 
1 1 1    5   11   11 o  167.916   1.5599  221.266   4.1104  220.843   5.7581  221.705   5.8695  167.745   2.1874  168.071   2.2254 -0.3261108 3.120409 
1 1 1    5   11   12 o  166.881   1.5586  218.557   4.0818  221.356   5.7473  215.709   5.7982  167.933   2.1808  165.776   2.2288 2.157318 3.118236 
1 1 1    5   11   13 o  233.822   1.5927  429.096   5.8442  431.632   8.2520  426.544   8.2780  234.484   2.2425  233.097   2.2630 1.387115 3.185906 
1 1 1    5   11   14 o   19.089   5.9362   2.8531   1.9663   4.1717   2.7157   1.4000   2.8509   22.921   6.9486   17.725   6.9791 5.196327 9.848428 
1 1 1    5   11   15 o   61.689   2.3972   29.941   2.3163   27.842   3.2002   32.250   3.3569   59.396   3.4481   63.948   3.3568 -4.552330 4.812276 
1 1 1    5   11   16 o   18.775   6.0202   2.7255   2.0083   0.6967   2.7254   5.1361   2.9707   16.252   6.6725   25.112   7.1787 -8.860008 9.800761 
1 1 1    5   11   17 o   35.585   4.1784   10.127   2.2890   9.4026   3.1077   10.986   3.3842   33.922   6.0603   36.730   6.0841 -2.807674 8.587368 
1 1 1    5   11   18 o   66.965   2.3640   35.309   2.4804   34.941   3.4894   35.684   3.5265   66.497   3.3546   67.202   3.3545 -0.7050476 4.744070 
1 1 1    5   11   19 o   47.552   3.0037   17.892   2.2300   19.870   3.1841   15.988   3.1241   49.951   4.0980   44.693   4.5162 5.258289 6.098300 
1 1 1    5   11   20 o   21.388   5.9190   3.7759   2.0541   0.6355   2.9325   6.8008   2.8780   16.552   6.8705   28.529   6.5648 -11.97761 9.502629 
1 1 1    5   11   21 o   91.732   2.4040   66.347   3.4576   70.828   4.8032   61.527   4.9814   94.596   3.2403   88.065   3.6121 6.531357 4.852552 
1 1 1    5   11   22 o   23.371   5.3471   4.5676   1.9185   5.3728   2.8503   3.9007   2.5941   25.201   6.9719   21.834   6.8226 3.366728 9.754767 
1 1 1    5   11   23 o   38.149   3.0808   11.622   1.8287   10.301   2.5581   13.002   2.6152   35.479   4.7107   40.075   4.2218 -4.595528 6.325702 
1 1 1    5   11   24 o   48.126   2.7900   18.443   2.0981   17.762   3.0591   19.049   2.8830   46.791   4.2110   48.610   3.8098 -1.818478 5.678638 
1 1 1    5   11   25 o   40.445   2.8644   13.087   1.8063   13.972   2.5422   12.184   2.5669   41.448   3.9564   38.550   4.3172 2.897827 5.855872 
1 1 1    5   11   26 o   35.789   3.1618   10.340   1.7575   11.477   2.4849   9.2009   2.4862   37.287   4.3269   33.087   4.9392 4.199867 6.566380 
1 1 1    5   11   27 o   31.631   3.3975   8.1744   1.6601   9.4216   2.3654   6.9638   2.3304   33.453   4.6296   28.316   5.4422 5.137318 7.144994 
1 1 1    5   11   28 o   31.138   3.3374   7.9914   1.6054   8.9804   2.3109   7.0689   2.2319   32.317   4.6936   28.326   5.2129 3.990868 7.014624 
1 1 1    5   11   29 o   10.483   4.7479  -0.5503   1.6806  -2.4787   2.4247   1.2328   2.3316   10.692   5.1133   14.787   6.1311 -4.094868 7.983489 
1 1 1    5   11   30 o   10.781   4.5256   0.4266   1.2936   1.2355   1.9044  -0.2666   1.7628   13.777   5.6076   10.981   4.9277 2.796009 7.465092 
1 1 1    5   11   31 o   20.856   5.6639   4.3118   1.9012   4.4612   2.7126   4.1675   2.6655   20.195   7.0079   19.636   6.9370 0.5581570 9.860659 
1 1 1    5   11   32 o   14.566   5.7439   2.0236   1.9336   2.2782   2.7400   1.7710   2.7290   15.421   6.5357   14.729   6.3864 0.6919546 9.137899 
1 1 1    5   12    0 o  304.480   2.2746  727.619   10.867  727.619   10.867  727.619   10.867  304.480   2.2746  304.480   2.2746 0.000000 0.000000 
1 1 1    5   12    1 o  160.854   1.6141  203.040   4.0745  197.282   5.9079  208.262   5.6266  158.549   2.3745  162.904   2.2010 -4.354538 3.237631 
1 1 1    5   12    2 o  356.061   1.7277  994.872   9.6540  1001.77   13.732  988.130   13.575  357.275   2.4492  354.835   2.4379 2.440369 3.455676 
1 1 1    5   12    3 o  220.708   1.5733  382.251   5.4493  380.546   7.7288  383.936   7.6842  220.206   2.2365  221.186   2.2138 -0.9790955 3.146898 
1 1 1    5   12    4 f  213.449   1.5173  357.517   5.0824  359.746   7.0120  355.049   7.3772  214.106   2.0869  212.702   2.2101 1.404083 3.039705 
1 1 1    5   12    5 o  166.256   1.4928  216.902   3.8948  216.847   5.4992  216.956   5.5171  166.229   2.1081  166.271   2.1144 -0.4174805E-01 2.985730 
1 1 1    5   12    6 o  202.325   1.7632  321.235   5.5983  319.368   7.9332  323.087   7.9013  201.725   2.5060  202.896   2.4815 -1.171402 3.526745 
1 1 1    5   12    7 o  217.795   1.6804  372.237   5.7433  369.324   7.8051  375.677   8.4816  216.931   2.2927  218.786   2.4703 -1.854507 3.370306 
1 1 1    5   12    8 o  285.727   1.7592  640.679   7.8882  641.675   11.611  639.825   10.750  285.927   2.5878  285.520   2.3991 0.4067078 3.528768 
1 1 1    5   12    9 o  369.021   1.9006  1068.70   11.007  1062.75   15.545  1074.68   15.587  367.958   2.6921  370.019   2.6842 -2.060608 3.801643 
1 1 1    5   12   10 o  250.731   1.7085  493.358   6.7224  493.932   9.9741  492.879   9.0998  250.853   2.5336  250.593   2.3140 0.2603455 3.431298 
1 1 1    5   12   11 o   40.950   4.0059   13.298   2.5414   14.360   3.7589   12.405   3.4493   42.337   5.8107   39.301   5.7638 3.035728 8.184502 
1 1 1    5   12   12 o   82.678   2.0647   53.658   2.6789   54.332   3.8593   53.032   3.7214   83.126   2.9632   82.128   2.8919 0.9978104 4.140541 
1 1 1    5   12   13 o  190.349   1.5701  284.395   4.6902  281.995   6.6822  286.725   6.5847  189.511   2.2469  191.097   2.1957 -1.585724 3.141593 
1 1 1    5   12   14 f  118.203   1.7102  109.693   3.1723  105.521   4.5297  113.709   4.4442  115.897   2.4905  120.317   2.3537 -4.420151 3.426753 
1 1 1    5   12   15 o  172.269   1.4904  232.989   4.0292  234.952   5.7131  231.047   5.6834  172.945   2.1050  171.501   2.1117 1.443771 2.981688 
1 1 1    5   12   16 o   43.146   3.0782   14.723   2.0705   13.693   2.9076   15.783   2.9491   41.399   4.5504   44.523   4.2733 -3.123692 6.242364 
1 1 1    5   12   17 o   61.212   2.3037   29.501   2.2090   29.276   3.1125   29.729   3.1356   60.872   3.2702   61.343   3.2690 -0.4707642 4.623972 
1 1 1    5   12   18 o   11.097   5.0329  -1.0883   1.8960  -3.4002   2.6389   1.3789   2.7261   11.298   5.3839   17.272   6.8173 -5.974285 8.686894 
1 1 1    5   12   19 o   32.007   3.9721   8.2305   1.9524   7.7530   2.7601   8.7085   2.7620   30.632   5.9563   32.591   5.6022 -1.958996 8.176905 
1 1 1    5   12   20 o   17.704   5.8255   2.4184   1.8737   0.0999   2.6164   4.8591   2.6845   14.948   6.3628   24.168   6.7958 -9.219955 9.309628 
1 1 1    5   12   21 o   50.206   2.8869   19.981   2.2650   18.132   3.5129   21.296   2.9632   47.391   4.7891   51.679   3.6778 -4.287582 6.038312 
1 1 1    5   12   22 o   23.476   5.8172   4.6517   2.1321   5.4588   3.0038   3.8321   3.0269   25.320   7.2122   21.973   7.4087 3.346447 10.33947 
1 1 1    5   12   23 o   52.981   2.5073   22.262   2.0787   23.240   2.8501   21.150   3.0384   53.903   3.3864   51.283   3.8025 2.619148 5.091834 
1 1 1    5   12   24 o   13.885   5.6928   0.6853   1.9803   3.2703   2.9854  -1.3459   2.6463   20.531   7.3325   12.979   5.9096 7.551496 9.417493 
1 1 1    5   12   25 o   54.305   2.6060   23.501   2.2144   26.700   3.2408   20.699   3.0328   57.495   3.6101   50.493   3.8565 7.001614 5.282563 
1 1 1    5   12   26 o   18.137   5.7733   2.7814   1.8495   5.7016   2.6158  -0.1377   2.6153   25.246   6.5479   14.130   6.1869 11.11576 9.008482 
1 1 1    5   12   27 o   19.829   5.9897   3.4891   2.0204   1.2600   2.8251   5.8228   2.8906   16.317   6.7556   25.001   7.0595 -8.683535 9.771172 
1 1 1    5   12   28 o   14.859   5.4725   1.7288   1.6800   3.5987   2.4448   0.0558   2.3125   19.668   6.6582   13.182   5.7934 6.486538 8.825789 
1 1 1    5   12   29 o   12.100   5.0407   0.6486   1.5867  -0.2317   2.2871   1.4654   2.2031   12.487   5.6074   14.820   6.0315 -2.332472 8.235442 
1 1 1    5   12   30 o   9.7660   4.5482  -1.0198   1.6977  -0.9931   2.4725  -1.0437   2.3353   11.888   5.5202   11.512   5.3521 0.3760386 7.688818 
1 1 1    5   12   31 o   12.006   4.7630   1.0123   1.3370   1.9784   1.9564   0.1658   1.8313   14.937   5.8107   11.553   5.1131 3.384376 7.740013 
1 1 1    5   12   32 o   11.794   4.4943   1.1936   1.1535   2.0176   1.8884   0.7032   1.4568   14.255   5.6590   11.183   4.7536 3.072289 7.390602 
1 1 1    5   13    0 o   95.128   2.7727   71.195   4.1312   71.195   4.1312   71.195   4.1312   95.128   2.7727   95.128   2.7727 0.000000 0.000000 
1 1 1    5   13    1 o  156.461   1.5976  192.099   3.9226  198.777   5.6035  185.682   5.4930  159.151   2.2436  153.818   2.2756 5.332230 3.195641 
1 1 1    5   13    2 o  294.832   1.6281  682.128   7.5331  683.773   10.685  680.504   10.622  295.174   2.3068  294.468   2.2985 0.7062378 3.256437 
1 1 1    5   13    3 o  168.191   1.5576  221.984   4.1112  216.676   5.7909  227.378   5.8377  166.161   2.2208  170.216   2.1854 -4.054581 3.115774 
1 1 1    5   13    4 o  271.654   1.7010  579.100   7.2516  574.790   10.260  583.402   10.250  270.626   2.4159  272.647   2.3957 -2.020386 3.402349 
1 1 1    5   13    5 o  257.683   1.7365  521.074   7.0221  522.444   10.333  519.899   9.5722  258.004   2.5521  257.379   2.3699 0.6245117 3.482751 
1 1 1    5   13    6 o   70.906   2.7596   39.522   3.0649   39.447   3.8657   39.649   5.0290   70.799   3.4901   70.908   4.5432 -0.1098175 5.729032 
1 1 1    5   13    7 o  289.114   1.8606  655.980   8.4417  643.516   11.797  669.061   12.085  286.330   2.6253  291.957   2.6377 -5.627411 3.721564 
1 1 1    5   13    8 o  291.891   1.7308  668.629   7.9284  679.576   11.256  657.848   11.170  294.249   2.4375  289.506   2.4585 4.743103 3.462076 
1 1 1    5   13    9 o  162.833   1.8577  208.091   4.7472  197.287   6.9821  217.378   6.4737  158.529   2.8065  166.414   2.4789 -7.885040 3.744507 
1 1 1    5   13   10 o  262.959   1.6759  542.682   6.9158  540.622   9.7123  544.800   9.8499  262.433   2.3583  263.444   2.3825 -1.011047 3.352310 
1 1 1    5   13   11 o   73.759   2.2390   42.749   2.5886   43.538   3.6431   41.944   3.6789   74.388   3.1277   73.005   3.2191 1.383415 4.488318 
1 1 1    5   13   12 o   67.659   2.3422   35.989   2.4832   35.844   3.4218   36.151   3.6092   67.462   3.2416   67.738   3.4062 -0.2764969 4.702136 
1 1 1    5   13   13 o  108.106   1.8024   91.759   3.0578   89.644   4.2437   94.042   4.4100  106.821   2.5315  109.408   2.5685 -2.587173 3.606355 
1 1 1    5   13   14 o  139.206   1.6703  152.157   3.6489  155.388   5.1178  148.816   5.2039  140.631   2.3190  137.617   2.4096 3.013565 3.344232 
1 1 1    5   13   15 o   47.629   3.3661   17.949   2.4997   18.999   3.5190   16.878   3.5514   48.833   4.6480   45.941   5.0070 2.891933 6.831815 
1 1 1    5   13   16 o   76.658   2.3073   46.241   2.7725   47.048   4.0121   45.503   3.8356   77.209   3.3191   75.940   3.2259 1.268150 4.628444 
1 1 1    5   13   17 o   96.531   1.9714   73.243   2.9864   73.899   4.2867   72.623   4.1630   96.834   2.8239   96.003   2.7661 0.8315048 3.952932 
1 1 1    5   13   18 o   68.422   2.4542   36.900   2.6310   36.225   3.7452   37.558   3.6968   67.627   3.5413   68.884   3.4306 -1.256401 4.930459 
1 1 1    5   13   19 o   44.214   3.1361   15.511   2.1619   16.502   3.0203   14.470   3.0957   45.400   4.2901   42.391   4.7343 3.009472 6.388943 
1 1 1    5   13   20 o   14.434   5.8032   0.8254   2.0115   3.1048   2.7372  -1.8508   2.9659   20.360   7.0408   13.595   6.2154 6.764380 9.391718 
1 1 1    5   13   21 o   60.827   2.3613   29.234   2.2497   25.746   3.1640   32.800   3.1994   56.819   3.5664   64.258   3.1826 -7.439075 4.780004 
1 1 1    5   13   22 o   10.850   4.9360  -1.0418   1.8417  -2.4397   2.5600   0.4578   2.6515   11.729   5.5020   15.370   6.4672 -3.641370 8.490966 
1 1 1    5   13   23 o   33.499   4.0562   9.1467   2.0889   7.1378   2.8118   11.622   3.1208   28.771   6.3935   37.292   5.4973 -8.520929 8.431877 
1 1 1    5   13   24 o   16.166   5.9731   1.8209   2.0042   0.7140   3.0064   2.7063   2.6889   16.345   6.8824   19.021   6.9367 -2.676739 9.771616 
1 1 1    5   13   25 o   21.928   5.5082   4.1682   1.8927   4.2517   2.6888   4.0862   2.6647   22.047   6.9541   21.680   6.9330 0.3671379 9.819643 
1 1 1    5   13   26 o   11.361   5.0595  -0.4620   1.8213  -1.8844   2.5937   0.9215   2.5581   12.064   5.6195   15.387   6.4045 -3.322685 8.520333 
1 1 1    5   13   27 o   11.945   5.1665   0.0983   1.7773   1.9713   2.5192  -1.7576   2.5078   16.758   6.5720   11.779   5.4995 4.978965 8.569413 
1 1 1    5   13   28 o   12.930   5.3429   0.8074   1.7624   0.7038   2.4993   0.9099   2.4856   14.327   6.1611   14.595   6.2067 -0.2679625 8.745370 
1 1 1    5   13   29 o   13.292   5.6206   0.8334   2.0188   1.8524   2.8513  -0.1909   2.8588   16.116   6.7387   13.613   6.1762 2.502295 9.140850 
1 1 1    5   13   30 o   11.079   4.9316  -0.0541   1.7279  -1.9961   2.5357   1.6295   2.3610   11.064   5.2740   14.931   6.1783 -3.867143 8.123170 
1 1 1    5   13   31 o   11.579   4.9143   0.6795   1.5530   0.4083   2.2415   0.9299   2.1536   12.503   5.5876   13.069   5.6697 -0.5656662 7.960343 
1 1 1    5   13   32 o   15.070   5.5567   2.5071   1.7330   3.3205   2.5108   1.7670   2.3950   16.236   6.4987   13.830   5.9896 2.406327 8.837931 
1 1 1    5   14    0 o  237.045   2.5716  441.114   9.5638  441.114   9.5638  441.114   9.5638  237.045   2.5716  237.045   2.5716 0.000000 0.000000 
1 1 1    5   14    1 o  230.684   1.7326  417.604   6.2724  414.095   8.5239  421.747   9.2632  229.701   2.3647  231.809   2.5464 -2.108414 3.475000 
1 1 1    5   14    2 o  174.722   1.7800  239.568   4.8805  239.701   6.9472  239.439   6.8579  174.758   2.5332  174.663   2.5020 0.9510803E-01 3.560437 
1 1 1    5   14    3 o  221.076   1.7884  383.548   6.2045  383.957   8.7661  383.139   8.7830  221.178   2.5256  220.942   2.5331 0.2358551 3.577036 
1 1 1    5   14    4 o  156.405   1.8379  191.976   4.5110  192.367   6.4256  191.597   6.3345  156.551   2.6155  156.238   2.5835 0.3129578 3.676337 
1 1 1    5   14    5 o  172.330   1.6756  233.056   4.5313  234.120   6.4726  232.033   6.3458  172.710   2.3881  171.940   2.3518 0.7708435 3.351734 
1 1 1    5   14    6 o   59.933   3.3966   28.292   3.1815   28.855   4.6013   27.775   4.4039   60.408   4.8957   59.270   4.7751 1.137848 6.838868 
1 1 1    5   14    7 o  186.391   1.7279  272.646   5.0542  276.247   7.5486  269.720   6.8045  187.599   2.5641  185.375   2.3390 2.223785 3.470661 
1 1 1    5   14    8 o  108.185   1.9615   91.860   3.3301   93.428   4.7861   90.388   4.6364  109.054   2.7989  107.266   2.7566 1.788155 3.928478 
1 1 1    5   14    9 o  155.812   1.7130  190.541   4.1886  197.393   6.0806  184.354   5.7783  158.569   2.4435  153.243   2.4028 5.325470 3.426966 
1 1 1    5   14   10 o  101.403   1.9533   80.715   3.1082   81.170   4.4510   80.281   4.3425  101.628   2.7935  101.073   2.7403 0.5554733 3.913154 
1 1 1    5   14   11 o   56.807   2.8034   25.411   2.4915   25.003   3.5774   25.796   3.4719   56.235   4.0816   57.142   3.8950 -0.9076805 5.641791 
1 1 1    5   14   12 f  191.346   1.6474  287.443   4.9469  297.289   7.1730  278.513   6.8313  194.541   2.3495  188.301   2.3118 6.240509 3.296154 
1 1 1    5   14   13 o   57.361   2.7646   25.927   2.4812   27.992   3.6026   24.063   3.4223   59.490   3.8801   55.126   3.9829 4.364704 5.560441 
1 1 1    5   14   14 o  117.317   1.7990  108.099   3.3121  109.201   4.7593  107.064   4.6121  117.854   2.5733  116.699   2.5184 1.154121 3.600627 
1 1 1    5   14   15 o  170.602   1.6743  228.604   4.4826  233.940   6.4690  223.676   6.2172  172.491   2.3898  168.671   2.3488 3.820496 3.350832 
1 1 1    5   14   16 o   43.432   3.5392   14.979   2.3914   16.748   3.5111   13.449   3.2660   45.693   4.9769   40.840   5.2148 4.852562 7.208552 
1 1 1    5   14   17 o   80.785   2.1945   51.374   2.7796   49.527   4.0188   53.068   3.8485   79.166   3.2417   81.993   2.9960 -2.827576 4.414117 
1 1 1    5   14   18 o  104.439   1.9946   85.796   3.2691   85.565   4.5257   86.048   4.7273  104.144   2.7716  104.414   2.8878 -0.2702179 4.002656 
1 1 1    5   14   19 o   43.674   3.4801   15.192   2.3655   17.212   3.4022   13.302   3.2911   46.224   4.7581   40.435   5.3151 5.788578 7.133716 
1 1 1    5   14   20 o   49.986   2.9191   19.824   2.2798   21.514   3.2008   18.084   3.2480   51.845   3.9642   47.390   4.4182 4.454082 5.935997 
1 1 1    5   14   21 o   14.410   5.9310   0.6411   2.1603  -0.5587   3.0891   1.7894   3.0222   15.191   6.6854   18.259   7.1869 -3.068281 9.815608 
1 1 1    5   14   22 f   55.713   2.7742   24.682   2.4179   26.232   3.4391   23.168   3.4000   57.090   3.8613   53.560   4.0756 3.529659 5.614341 
1 1 1    5   14   23 o   36.021   4.1540   10.608   2.3052   9.5050   3.2233   11.764   3.2980   33.178   6.4229   37.277   5.8286 -4.098099 8.673263 
1 1 1    5   14   24 o   14.511   5.9115   0.8890   2.1186   2.4303   3.1957  -0.3196   2.8299   19.139   7.4318   14.532   6.3971 4.607122 9.805790 
1 1 1    5   14   25 o   12.921   5.5224   0.2080   1.9851  -1.4636   2.7968   1.9053   2.8182   13.082   6.0013   17.528   6.9274 -4.446228 9.165404 
1 1 1    5   14   26 o   15.262   5.8658   1.5729   1.9760   3.1899   2.8217   0.0168   2.7680   19.527   7.1082   14.493   6.3549 5.034238 9.534706 
1 1 1    5   14   27 o   24.167   5.4594   5.3131   2.0215   5.4925   2.8576   5.1334   2.8601   23.608   7.1216   22.838   7.1679 0.7697620 10.10425 
1 1 1    5   14   28 o   10.908   5.0023  -0.7783   1.9411  -3.8600   2.7776   2.1638   2.7139   10.543   5.1439   16.629   6.7211 -6.085551 8.463649 
1 1 1    5   14   29 o   9.3060   4.4569  -1.9445   1.8570  -1.8056   2.6486  -2.0788   2.6043   11.544   5.4703   11.218   5.3464 0.3267622 7.649086 
1 1 1    5   14   30 o   13.047   5.3658   1.1298   1.7663   0.7767   2.5326   1.4641   2.4647   13.764   6.0556   14.612   6.1960 -0.8483677 8.663734 
1 1 1    5   14   31 o   10.285   4.7998  -0.6614   1.9069   0.3118   2.7192  -1.6032   2.6750   12.784   5.8837   11.059   5.3104 1.724331 7.925819 
1 1 1    5   15    0 o  201.295   2.3834  318.119   7.5268  318.119   7.5268  318.119   7.5268  201.295   2.3834  201.295   2.3834 0.000000 0.000000 
1 1 1    5   15    1 f   47.324   3.5443   17.683   2.6131   21.544   3.7598   14.075   3.6342   52.165   4.6413   41.940   5.6666 10.22533 7.324733 
1 1 1    5   15    2 o  106.672   1.9276   89.303   3.2269   93.315   4.6155   85.466   4.5132  109.033   2.6975  104.309   2.7596 4.723763 3.858963 
1 1 1    5   15    3 o  320.559   1.7203  806.419   8.6539  804.700   12.237  808.139   12.240  320.192   2.4354  320.876   2.4307 -0.6835938 3.440804 
1 1 1    5   15    4 f   93.817   2.1179   69.079   3.1181   75.942   4.4581   62.506   4.3628   98.314   2.8927   89.175   3.1224 9.139290 4.256421 
1 1 1    5   15    5 o   96.417   2.0663   72.962   3.1265   77.344   4.4626   68.737   4.3815   99.216   2.8692   93.523   2.9892 5.693497 4.143358 
1 1 1    5   15    6 o  175.830   1.7597  242.636   4.8555  237.533   7.3770  246.537   6.4496  173.945   2.7025  177.223   2.3190 -3.278152 3.561067 
1 1 1    5   15    7 f  262.253   1.8452  539.808   7.5940  558.706   11.315  524.322   10.243  266.761   2.7030  258.432   2.5258 8.329071 3.699396 
1 1 1    5   15    8 o  230.983   1.6585  418.754   6.0116  422.855   8.3188  414.271   8.6973  232.083   2.2841  229.708   2.4127 2.374802 3.322354 
1 1 1    5   15    9 o  171.604   1.7089  231.148   4.6019  229.386   6.4183  233.012   6.6017  170.918   2.3929  172.261   2.4421 -1.342972 3.419059 
1 1 1    5   15   10 o   82.020   2.2999   52.874   2.9574   53.344   4.1315   52.380   4.2351   82.320   3.2043   81.563   3.3157 0.7572632 4.610955 
1 1 1    5   15   11 o  108.421   1.9476   92.312   3.3137   92.084   4.6492   92.549   4.7242  108.208   2.7401  108.478   2.7774 -0.2698517 3.901521 
1 1 1    5   15   12 o  171.867   1.7042  231.949   4.5965  232.247   6.4339  231.638   6.5690  171.914   2.3848  171.683   2.4382 0.2312622 3.410604 
1 1 1    5   15   13 o   50.222   3.1795   19.931   2.4930   19.441   3.4505   20.466   3.6059   49.421   4.4982   50.705   4.5811 -1.283562 6.420296 
1 1 1    5   15   14 o   77.589   2.2878   47.368   2.7826   49.908   3.9124   44.767   3.9585   79.549   3.1402   75.305   3.3581 4.243866 4.597584 
1 1 1    5   15   15 o   59.914   2.5989   28.302   2.4378   28.698   3.4579   27.912   3.4372   60.189   3.6785   59.350   3.7089 0.8382225 5.223757 
1 1 1    5   15   16 o  101.857   1.8685   81.554   2.9868   80.762   4.2022   82.363   4.2460  101.234   2.6474  102.233   2.6488 -0.9983139 3.744953 
1 1 1    5   15   17 o   64.352   2.4894   32.665   2.5093   33.892   3.5591   31.451   3.5383   65.391   3.4808   62.964   3.5959 2.427410 5.004643 
1 1 1    5   15   18 o   70.694   2.3475   39.411   2.6007   37.454   3.6061   41.532   3.7544   68.734   3.3533   72.396   3.3133 -3.661987 4.714081 
1 1 1    5   15   19 o   28.129   5.4436   6.5717   2.3161   3.4139   3.1785   10.147   3.3819   21.456   7.5756   34.836   6.4229 -13.37981 9.931941 
1 1 1    5   15   20 o   33.757   4.4058   9.2754   2.2784   9.4185   3.1590   9.1203   3.2891   33.457   6.2463   32.789   6.6204 0.6681290 9.101927 
1 1 1    5   15   21 o   14.072   5.8809   0.4549   2.1698  -2.2292   2.9789   3.4880   3.1667   13.114   6.0789   21.291   7.5574 -8.177826 9.698812 
1 1 1    5   15   22 o   48.184   3.1828   18.597   2.3932   19.920   3.3349   17.191   3.4364   49.454   4.3411   45.700   4.8664 3.753933 6.521330 
1 1 1    5   15   23 o   9.3673   4.5727  -3.8516   2.2034  -4.2963   2.9030  -3.2474   3.3840   11.167   5.4043   13.189   6.2298 -2.022037 8.247222 
1 1 1    5   15   24 o   14.118   6.0058   0.3639   2.3285   0.7688   3.6853   0.0948   3.0041   17.560   7.5152   15.371   6.6822 2.189227 10.05630 
1 1 1    5   15   25 o   47.225   3.6809   18.257   2.7064   17.782   3.8652   18.715   3.7908   45.457   5.5322   46.848   5.2463 -1.390930 7.624241 
1 1 1    5   15   26 o   26.026   6.2283   6.2730   2.5098   5.6125   3.5997   6.8978   3.5012   23.780   8.0789   26.250   7.8749 -2.470102 11.28201 
1 1 1    5   15   27 o   15.000   6.0292   1.5238   2.1707  -0.7500   3.1043   3.6992   3.0365   13.818   6.3328   19.637   7.3338 -5.819018 9.689642 
1 1 1    5   15   28 o   19.259   6.1249   3.6865   2.0820  -0.3135   2.7616   8.9542   3.1691   13.261   6.0375   29.309   6.9889 -16.04777 9.235620 
1 1 1    5   15   29 o   11.113   5.0224  -0.2865   1.8686   0.1822   2.6343  -0.7612   2.6510   13.357   6.0064   12.396   5.7422 0.9608507 8.309598 
1 1 1    5   15   30 o   10.279   4.7294  -0.5068   1.7549  -0.6755   2.5059  -0.3445   2.4585   11.809   5.5081   12.045   5.5621 -0.2368078 7.827922 
1 1 1    5   15   31 o   14.935   5.5734   2.4621   1.7530   6.0816   2.5369  -0.8452   2.4251   21.698   6.7419   10.972   5.2093 10.72598 8.519964 
1 1 1    5   16    0 o   56.218   4.9957   25.401   4.3236   25.401   4.3236   25.401   4.3236   56.218   4.9957   56.218   4.9957 0.000000 0.000000 
1 1 1    5   16    1 o  139.493   1.8859  152.718   4.1284  158.994   5.8522  146.501   5.8248  142.315   2.6204  136.607   2.7171 5.708054 3.774741 
1 1 1    5   16    2 f   96.601   2.2953   73.249   3.4796   74.279   4.7890   72.097   5.0643   97.211   3.1433   95.758   3.3753 1.452736 4.612321 
1 1 1    5   16    3 o  154.465   1.7628  187.258   4.2730  184.190   6.0144  190.384   6.0720  153.177   2.5020  155.732   2.4846 -2.554779 3.526067 
1 1 1    5   16    4 o  259.627   1.6731  529.025   6.8167  523.862   9.5845  534.311   9.6970  258.328   2.3642  260.891   2.3685 -2.563477 3.346531 
1 1 1    5   16    5 o  150.806   1.7472  178.500   4.1350  175.536   5.8167  181.528   5.8793  149.528   2.4788  152.059   2.4638 -2.531174 3.494987 
1 1 1    5   16    6 o  100.998   2.1541   80.078   3.4141   80.286   4.9999   79.897   4.6731  101.051   3.1568  100.818   2.9569 0.2327957 4.325348 
1 1 1    5   16    7 o   79.239   2.7085   49.370   3.3630   52.366   4.8218   46.533   4.6928   81.532   3.7789   76.836   3.9047 4.695961 5.433863 
1 1 1    5   16    8 o  119.153   1.8146  111.458   3.3930  115.903   4.8277  107.119   4.7697  121.476   2.5325  116.779   2.6027 4.697296 3.631440 
1 1 1    5   16    9 o   62.322   2.6619   30.574   2.5974   30.872   3.6610   30.273   3.6856   62.527   3.7482   61.908   3.8121 0.6190338 5.346141 
1 1 1    5   16   10 o   24.865   5.9836   5.0883   2.3065   7.2787   3.2860   2.9612   3.2382   29.688   7.1407   21.101   7.6241 8.587454 10.44590 
1 1 1    5   16   11 o  207.624   1.6086  338.494   5.2414  343.802   7.4592  333.316   7.3666  209.170   2.2724  205.955   2.2792 3.215256 3.218477 
1 1 1    5   16   12 o  146.124   1.7827  167.715   4.0880  165.141   5.7162  170.409   5.8487  144.925   2.5134  147.215   2.5316 -2.290939 3.567379 
1 1 1    5   16   13 o   93.343   2.1613   68.488   3.1659   68.882   4.4327   68.077   4.5232   93.483   3.0255   92.923   3.1062 0.5603867 4.336132 
1 1 1    5   16   14 o   89.578   2.2451   63.144   3.1535   66.785   4.4952   59.616   4.4251   92.004   3.1179   86.899   3.2506 5.104752 4.504191 
1 1 1    5   16   15 o   66.839   2.6107   35.233   2.7331   33.883   3.8252   36.640   3.9064   65.367   3.7447   67.995   3.6745 -2.628525 5.246403 
1 1 1    5   16   16 o   50.050   3.1477   19.851   2.4598   21.913   3.4343   17.680   3.5248   52.399   4.2120   46.890   4.8605 5.508541 6.431574 
1 1 1    5   16   17 o  102.373   2.0700   82.483   3.3255   85.701   4.6916   79.234   4.7143  104.166   2.8728  100.124   3.0037 4.041611 4.156373 
1 1 1    5   16   18 o   87.934   2.2328   60.972   3.0786   60.162   4.2147   61.898   4.5077   87.154   3.0864   88.357   3.2565 -1.203209 4.486753 
1 1 1    5   16   19 o   35.090   4.5857   10.033   2.4649   13.379   3.3958   6.3067   3.5835   40.309   5.5125   27.119   7.9245 13.19061 9.653298 
1 1 1    5   16   20 o   24.115   6.3162   4.9762   2.4183   6.2665   3.2619   3.4015   3.6035   26.849   7.4699   21.680   8.0095 5.168699 10.95218 
1 1 1    5   16   21 o   44.478   3.4775   15.911   2.4080   15.963   3.3397   15.856   3.4752   44.026   4.9178   43.775   5.1577 0.2507706 7.126507 
1 1 1    5   16   22 o   17.358   6.3689   2.1779   2.2720   4.6968   3.1753  -0.4647   3.2523   23.289   7.5788   15.434   6.8232 7.854876 10.19772 
1 1 1    5   16   23 o   19.504   6.5864   3.1681   2.3923   3.1002   3.2834   3.2450   3.4927   20.263   7.6139   20.731   7.8391 -0.4687271 10.92813 
1 1 1    5   16   24 o   15.760   6.3862   1.2785   2.4572  -4.3744   3.6837   5.8098   3.2981   12.942   6.2191   25.000   7.6731 -12.05802 9.876898 
1 1 1    5   16   25 o   25.586   5.8201   5.8907   2.2840   7.7856   3.2338   4.0048   3.2263   28.637   7.2034   21.137   7.6136 7.500675 10.48127 
1 1 1    5   16   26 o   10.679   5.0425  -1.8705   2.2132  -3.0499   3.1113  -0.6624   3.1489   12.050   5.7706   14.121   6.4360 -2.070827 8.644176 
1 1 1    5   16   27 o   24.813   5.8612   5.9389   2.2457   6.2143   3.1617   5.6585   3.1903   23.894   7.5414   22.766   7.6053 1.127790 10.71047 
1 1 1    5   16   28 o   15.077   6.1982   1.7016   2.3557  -1.9224   3.3154   5.3966   3.3477   12.776   6.0731   21.544   7.7562 -8.767440 9.850929 
1 1 1    5   16   29 o   16.636   6.2828   2.7760   2.2420   0.3586   3.1661   5.2074   3.1752   14.159   6.4533   20.752   7.5424 -6.593447 9.926377 
1 1 1    5   16   30 o   10.367   4.9159  -1.0946   2.1461  -0.7503   3.0702  -1.4236   3.0010   12.291   5.8429   11.698   5.6191 0.5926371 8.106415 
1 1 1    5   17    0 o   13.561   8.5529   0.6206   3.8591   0.6206   3.8591   0.6206   3.8591   13.561   8.5529   13.561   8.5529 0.000000 0.000000 
1 1 1    5   17    1 o  216.905   1.6744  369.269   5.6996  374.607   8.1081  364.055   8.0135  218.434   2.3653  215.336   2.3714 3.098785 3.349352 
1 1 1    5   17    2 o  129.624   1.8991  131.892   3.8632  133.493   5.4797  130.310   5.4472  130.383   2.6781  128.818   2.6946 1.564682 3.799078 
1 1 1    5   17    3 o  224.691   1.6715  396.271   5.8940  401.394   8.3817  391.260   8.2898  226.102   2.3622  223.229   2.3664 2.872543 3.343630 
1 1 1    5   17    4 o   34.150   5.1938   9.3901   2.6958   9.2974   3.8105   9.4829   3.8145   33.653   7.4156   33.998   7.3630 -0.3444595 10.45014 
1 1 1    5   17    5 o  155.884   1.8663  190.767   4.5654  192.014   6.3653  189.445   6.5518  156.355   2.5942  155.299   2.6883 1.055542 3.735890 
1 1 1    5   17    6 o  217.684   1.7685  372.019   6.0414  365.042   8.4325  379.376   8.6595  215.575   2.4926  219.765   2.5109 -4.189926 3.538022 
1 1 1    5   17    7 o  110.042   2.4181   95.129   4.1758   95.446   5.4928   94.695   6.4277  110.131   3.1815  109.636   3.7414 0.4952774 4.911206 
1 1 1    5   17    8 f   37.582   4.9452   11.336   2.8458   13.304   4.0900   9.4886   3.9623   40.445   6.6767   33.883   7.6353 6.562107 10.14281 
1 1 1    5   17    9 o   97.752   2.1516   75.072   3.3006   75.894   4.7671   74.315   4.5744   98.171   3.0982   97.153   3.0039 1.017593 4.315351 
1 1 1    5   17   10 o   94.452   2.3711   70.165   3.5117   71.943   5.5862   69.004   4.5155   95.475   3.7356   93.590   3.0787 1.885307 4.840716 
1 1 1    5   17   11 o  129.833   1.8815  132.430   3.8335  133.818   5.5240  131.140   5.3241  130.426   2.6989  129.122   2.6275 1.303024 3.766664 
1 1 1    5   17   12 o   79.501   2.4400   49.761   3.0406   49.763   4.3216   49.758   4.2789   79.366   3.4782   79.368   3.4436 -0.1609802E-02 4.894553 
1 1 1    5   17   13 o   86.801   2.2866   59.306   3.1120   59.355   4.4468   59.260   4.3567   86.693   3.2745   86.635   3.2101 0.5815125E-01 4.585495 
1 1 1    5   17   14 o   55.567   3.0916   24.429   2.6853   21.903   3.8387   26.849   3.7578   52.310   4.7272   58.078   4.1503 -5.768887 6.290583 
1 1 1    5   17   15 o   77.614   2.3301   47.470   2.8349   47.140   3.9856   47.808   4.0330   77.178   3.2984   77.720   3.3143 -0.5424194 4.675876 
1 1 1    5   17   16 o   64.099   2.6380   32.455   2.6479   27.485   3.6815   37.780   3.8113   58.711   4.0200   68.992   3.5320 -10.28094 5.351224 
1 1 1    5   17   17 o   58.770   2.8204   27.349   2.5935   26.541   3.6397   28.181   3.6966   57.616   4.0513   59.394   3.9891 -1.778008 5.685599 
1 1 1    5   17   18 o   53.014   3.0306   22.338   2.5108   26.334   3.5514   18.346   3.5503   57.322   3.9724   47.543   4.8253 9.779491 6.250143 
1 1 1    5   17   19 o   42.211   3.5723   14.308   2.3441   10.695   3.2481   18.237   3.3865   35.667   6.0168   47.353   4.6157 -11.68541 7.583348 
1 1 1    5   17   20 o   16.598   6.4051   1.6581   2.3628   3.7141   3.0770  -1.2959   3.6883   21.511   7.4638   15.711   7.0824 5.800088 10.28926 
1 1 1    5   17   21 o   23.122   6.1708   4.6459   2.2808   9.5860   3.2526  -0.1328   3.1990   33.234   6.4694   15.701   6.8596 17.53234 9.429028 
1 1 1    5   17   22 o   16.273   6.2969   1.6634   2.2881  -1.0294   3.2039   4.4666   3.2689   14.625   6.5960   22.713   7.6990 -8.088283 10.13812 
1 1 1    5   17   23 o   18.953   6.9960   2.7913   2.7483   2.7026   3.8035   2.8883   3.9755   20.088   8.0126   20.549   8.1934 -0.4612293 11.46008 
1 1 1    5   17   24 o   23.035   6.9549   4.9173   2.7245   8.3452   4.0462   2.0739   3.6852   29.014   8.4042   18.742   7.7334 10.27221 11.42081 
1 1 1    5   17   25 o   19.214   6.8116   3.3661   2.5718  -0.7708   3.6769   7.3287   3.5986   15.141   6.9212   26.636   7.9821 -11.49578 10.56493 
1 1 1    5   17   26 o   18.469   6.4424   3.2627   2.2941   0.6207   3.1993   6.0587   3.2912   15.267   6.7575   23.667   7.7169 -8.399691 10.25742 
1 1 1    5   17   27 o   13.588   5.8540   0.7916   2.2641   3.6267   3.2279  -1.9541   3.1766   18.798   7.4187   12.549   5.9592 6.249126 9.515740 
1 1 1    5   17   28 o   13.909   5.8079   1.2817   2.1136   0.5499   2.9284   2.0774   3.0537   14.157   6.3521   16.134   6.8712 -1.977522 9.357455 
1 1 1    5   17   29 o   11.101   5.0717  -0.2050   1.9706   2.0926   2.8477  -2.3161   2.7297   15.243   6.5660   10.827   5.2400 4.415299 8.400640 
1 1 1    5   17   30 o   12.412   5.3934   1.1335   1.9553  -0.7810   2.7629   3.0542   2.7674   11.491   5.4849   15.534   6.5752 -4.043332 8.562542 
1 1 1    5   18    0 o  138.520   3.3659  150.972   7.3070  150.972   7.3070  150.972   7.3070  138.520   3.3659  138.520   3.3659 0.000000 0.000000 
1 1 1    5   18    1 o   69.999   3.2199   38.599   3.5276   40.503   4.9738   36.671   5.0038   71.584   4.4496   68.069   4.7134 3.515488 6.481915 
1 1 1    5   18    2 o   88.677   2.6789   61.839   3.7238   64.313   5.2386   59.313   5.2942   90.345   3.7028   86.736   3.8995 3.608849 5.377412 
1 1 1    5   18    3 o   76.510   3.0018   46.084   3.5971   48.462   5.0613   43.657   5.1133   78.349   4.1310   74.320   4.4039 4.029106 6.038216 
1 1 1    5   18    4 o  240.290   1.9575  453.427   7.3815  456.784   10.437  450.066   10.441  241.079   2.7586  239.297   2.7805 1.782318 3.916753 
1 1 1    5   18    5 o  159.741   1.8875  200.391   4.7317  201.498   6.6230  199.238   6.7625  160.118   2.6358  159.210   2.7067 0.9076691 3.778008 
1 1 1    5   18    6 o   92.302   2.3364   66.987   3.3815   63.483   4.6769   70.826   4.8949   89.757   3.3261   94.817   3.2947 -5.059669 4.681667 
1 1 1    5   18    7 o   35.378   5.0330   10.085   2.7156   9.9533   3.7339   10.233   3.9565   34.758   7.0859   35.203   7.3974 -0.4440880 10.24362 
1 1 1    5   18    8 o   84.351   2.4446   55.980   3.2326   56.658   4.4912   55.251   4.6563   84.757   3.3834   83.674   3.5541 1.082794 4.907105 
1 1 1    5   18    9 o   27.301   6.4038   6.1657   2.6960   6.6033   3.7435   5.6942   3.8858   28.322   8.0462   26.693   8.3516 1.628950 11.59707 
1 1 1    5   18   10 o   48.717   4.0837   18.874   3.0934   19.470   4.7046   18.420   4.1057   49.060   6.2526   47.849   5.5718 1.211071 8.374942 
1 1 1    5   18   11 o   81.752   2.4551   52.630   3.1462   51.511   4.3767   53.826   4.5259   80.734   3.4625   82.525   3.5027 -1.790955 4.925211 
1 1 1    5   18   12 o   43.648   4.0820   15.203   2.7636   18.304   3.8343   11.851   3.9867   47.699   5.2068   37.839   6.9707 9.860325 8.700643 
1 1 1    5   18   13 o   27.621   6.1532   6.3486   2.5988   7.9671   3.6277   4.6425   3.7246   30.766   7.5669   24.474   8.2181 6.292574 11.17122 
1 1 1    5   18   14 o   93.008   2.2738   68.106   3.3188   65.544   4.5964   70.898   4.7971   91.032   3.2226   94.678   3.2334 -3.646645 4.565063 
1 1 1    5   18   15 o   45.772   3.7944   16.726   2.7011   16.844   3.7645   16.600   3.8778   45.550   5.3694   45.152   5.5922 0.3983459 7.752574 
1 1 1    5   18   16 o   55.040   3.3779   24.099   2.9036   25.022   4.1199   23.188   4.0927   55.721   4.7570   53.575   4.9229 2.146053 6.845695 
1 1 1    5   18   17 o   22.221   6.9421   4.0824   2.6859   2.1078   3.6885   6.3113   3.9188   19.979   7.9160   27.184   8.3679 -7.204742 11.51889 
1 1 1    5   18   18 o   11.729   5.4453  -1.9189   2.4037  -0.2828   3.4537  -3.4559   3.3475   16.326   7.1300   13.106   6.1922 3.219786 9.443526 
1 1 1    5   18   19 o   24.349   6.4113   5.1270   2.4831   4.5820   3.4294   5.7277   3.6002   23.406   7.8859   25.621   8.0421 -2.214760 11.26332 
1 1 1    5   18   20 o   30.777   6.1743   8.1821   2.8783   9.2280   3.9567   7.0067   4.1947   31.927   7.9323   27.760   8.6760 4.167791 11.75555 
1 1 1    5   18   21 o   40.020   4.8026   13.338   2.9560   11.557   4.1659   15.143   4.1951   35.698   7.6654   41.657   6.6399 -5.958950 10.14129 
1 1 1    5   18   22 o   30.090   5.2030   7.7472   2.3680   7.6686   3.3690   7.8240   3.3290   28.852   7.4043   29.205   7.2874 -0.3531303 10.38896 
1 1 1    5   18   23 o   9.3125   4.5755  -4.3050   2.3170  -8.3927   3.1525   0.4972   3.4169   9.5795   4.8073   16.429   7.1346 -6.849555 8.603038 
1 1 1    5   18   24 o   17.451   6.6119   2.4432   2.4876   3.8364   3.7543   1.3528   3.3214   20.778   8.0588   16.904   7.1813 3.873850 10.79418 
1 1 1    5   18   25 o   13.287   5.7872   0.3625   2.2623  -0.4738   3.1870   1.2120   3.2120   14.205   6.4746   16.080   6.9502 -1.874299 9.498720 
1 1 1    5   18   26 o   27.758   5.5259   7.3243   2.3225   5.5288   3.2315   9.2424   3.3402   22.164   7.6510   29.382   7.2813 -7.218126 10.56195 
1 1 1    5   18   27 o   15.601   6.1999   2.1191   2.2690   3.2083   3.0511   0.7715   3.3939   17.822   7.1535   15.087   6.7979 2.735810 9.868370 
1 1 1    5   18   28 o   15.077   6.2064   1.9951   2.3661   4.4817   3.2421  -0.8386   3.4610   19.125   7.4686   13.358   6.3067 5.767152 9.775237 
1 1 1    5   18   29 o   18.003   6.2134   3.9368   2.1312   5.4345   2.9817   2.3725   3.0474   19.453   7.2669   14.978   6.6140 4.474754 9.826110 
1 1 1    5   19    0 o   17.939   9.6433   3.6490   3.7455   3.6490   3.7455   3.6490   3.7455   17.939   9.6433   17.939   9.6433 0.000000 0.000000 
1 1 1    5   19    1 o   40.129   4.3554   12.847   2.6988   14.366   3.8264   11.343   3.8071   42.187   5.9444   37.236   6.7643 4.951126 9.005119 
1 1 1    5   19    2 o  111.793   2.0516   98.177   3.5993  106.100   5.1745   90.751   5.0098  116.155   2.8387  107.372   2.9760 8.782516 4.112810 
1 1 1    5   19    3 o  138.404   1.8609  150.453   4.0418  146.635   5.7179  154.265   5.7139  136.566   2.6680  140.081   2.5992 -3.515289 3.724833 
1 1 1    5   19    4 o   48.834   3.6618   18.891   2.7858   19.708   3.9544   18.086   3.9252   49.662   5.1485   47.514   5.3575 2.147724 7.430329 
1 1 1    5   19    5 o   82.757   2.4188   53.884   3.1379   54.899   4.4950   52.918   4.3825   83.421   3.4410   81.902   3.4172 1.518578 4.849542 
1 1 1    5   19    6 o   22.254   6.7023   3.9811   2.5325   2.4286   3.6105   5.4847   3.5531   20.792   7.9445   26.089   7.9560 -5.297907 11.24337 
1 1 1    5   19    7 o   11.613   5.4416  -2.5099   2.4916  -2.2706   3.5207  -2.7499   3.5267   14.848   6.7819   14.440   6.6657 0.4082737 9.509243 
1 1 1    5   19    8 o   53.065   3.3423   22.281   2.7692   19.851   3.9013   24.749   3.9313   49.792   5.0631   55.752   4.5324 -5.959743 6.795383 
1 1 1    5   19    9 o   59.340   3.5074   27.877   3.2516   25.915   4.8935   29.428   4.3510   56.818   5.5592   60.786   4.5953 -3.967224 7.212595 
1 1 1    5   19   10 o   52.525   4.3028   21.990   3.5157   22.160   5.2019   21.848   4.7699   52.222   6.4870   51.987   5.9540 0.2345390 8.805146 
1 1 1    5   19   11 o   76.575   2.9376   46.299   3.5235   50.749   5.2150   42.561   4.7795   79.929   4.1720   73.177   4.1793 6.751328 5.905318 
1 1 1    5   19   12 o   95.066   2.5300   71.246   3.7711   72.156   5.5817   70.483   5.1150   95.410   3.7351   94.363   3.4600 1.046837 5.091435 
1 1 1    5   19   13 o   40.154   4.7940   13.026   2.9613   14.220   4.1940   11.840   4.1818   41.459   6.6726   37.554   7.3590 3.904465 9.933714 
1 1 1    5   19   14 o   17.465   6.8972   1.4874   2.7917  -1.1577   3.9573   4.1079   3.9389   16.808   7.4734   23.617   8.4238 -6.808924 11.26107 
1 1 1    5   19   15 o   55.183   3.3713   24.237   2.9056   21.903   4.0148   26.804   4.2104   52.007   4.9799   57.672   4.6927 -5.664421 6.842579 
1 1 1    5   19   16 o   13.804   6.0499  -0.4203   2.5061   1.3753   3.4662  -2.3869   3.6275   18.517   7.5546   14.746   6.7902 3.770961 10.15770 
1 1 1    5   19   17 o   64.058   2.8136   32.602   2.8215   36.988   3.9584   28.072   4.0229   67.928   3.7277   58.904   4.3834 9.023434 5.754080 
1 1 1    5   19   18 o   36.385   4.5316   10.874   2.5316   8.7226   3.5258   13.163   3.6373   31.486   7.2810   39.443   6.0707 -7.957081 9.479753 
1 1 1    5   19   19 o   13.109   5.8397  -0.6509   2.4279  -0.6123   3.4969  -0.6869   3.3736   15.842   7.0355   15.484   6.8915 0.3577232 9.848447 
1 1 1    5   19   20 o   42.699   3.9574   14.893   2.6216   17.854   3.8362   12.298   3.5909   46.037   5.4132   37.653   6.2993 8.383873 8.305639 
1 1 1    5   19   21 o   11.285   5.3271  -2.3805   2.4671  -2.1796   3.3469  -2.6195   3.6508   13.805   6.4144   14.156   6.6181 -0.3518448 9.216490 
1 1 1    5   19   22 o   25.668   6.1251   5.9305   2.4328   8.1611   3.4456   3.7130   3.4353   29.419   7.4553   20.987   7.8079 8.431406 10.79561 
1 1 1    5   19   23 o   12.034   5.5446  -1.2398   2.4237   0.4825   3.5489  -2.7451   3.3179   16.340   7.1793   12.938   6.1283 3.401663 9.439181 
1 1 1    5   19   24 o   13.386   6.0138  -0.2449   2.6342   1.6759   3.8349  -1.9607   3.6246   17.506   7.5804   13.834   6.5075 3.671869 9.990480 
1 1 1    5   19   25 f   21.880   6.7274   4.9739   2.5338   4.8560   3.5731   5.0931   3.5936   20.923   7.9249   21.293   7.9730 -0.3698883 11.24156 
1 1 1    5   19   26 o   16.893   6.5153   2.7513   2.4438   5.1621   3.4376   0.2880   3.4748   20.900   7.8036   14.761   6.7403 6.139414 10.31154 
1 1 1    5   19   27 o   21.353   6.5840   5.0356   2.4248   8.0954   3.4387   2.0090   3.4199   25.588   7.8314   16.085   7.0580 9.503811 10.54257 
1 1 1    5   19   28 o   10.920   5.1266  -0.7060   2.2302   1.8010   3.0077  -3.7681   3.3240   14.582   6.4974   10.857   5.3623 3.724613 8.424394 
1 1 1    5   19   29 o   13.354   5.7127   1.7560   2.1279   3.1902   3.0012   0.3064   3.0173   15.389   6.6847   12.502   5.8985 2.887011 8.915054 
1 1 1    5   20    0 o   58.091   4.6518   27.082   4.1762   27.082   4.1762   27.082   4.1762   58.091   4.6518   58.091   4.6518 0.000000 0.000000 
1 1 1    5   20    1 o   83.012   2.7689   54.277   3.6021   53.776   5.1977   54.739   4.9965   82.453   4.0292   83.221   3.8361 -0.7679520 5.563270 
1 1 1    5   20    2 o   54.533   3.7916   23.566   3.2246   24.416   4.5243   22.689   4.5971   55.262   5.2811   53.193   5.5905 2.069366 7.690557 
1 1 1    5   20    3 o   46.100   4.4017   16.944   3.1458   20.581   4.3901   13.106   4.5099   50.620   5.6212   39.844   7.4875 10.77520 9.362727 
1 1 1    5   20    4 o   29.567   6.6661   7.2461   3.0189   9.9863   4.3092   4.6050   4.2306   34.571   8.0876   25.102   8.7493 9.469154 11.91466 
1 1 1    5   20    5 o   18.166   7.1276   1.5903   2.9643   4.9529   4.1137  -2.0417   4.2753   25.529   8.6369   16.919   7.6262 8.609406 11.52194 
1 1 1    5   20    6 o   38.901   4.8384   12.175   2.8901   10.521   3.9777   14.024   4.2063   35.572   7.3680   41.372   6.7083 -5.799629 9.964324 
1 1 1    5   20    7 o   48.280   3.8543   18.533   2.8960   22.910   4.0530   13.968   4.1395   53.519   4.8793   41.282   6.6128 12.23743 8.218112 
1 1 1    5   20    8 o   16.209   6.6359   0.7927   2.6859   2.2162   3.7213  -0.7554   3.8807   20.552   8.0086   17.172   7.5273 3.379999 10.99083 
1 1 1    5   20    9 o   32.146   5.8027   8.5023   2.8196   11.214   3.8230   5.2684   4.1753   36.760   6.8798   25.973   8.7009 10.78720 11.09219 
1 1 1    5   20   10 o   80.184   2.8805   50.773   3.6188   51.153   5.1248   50.396   5.1107   80.226   4.0840   79.623   4.1039 0.6028061 5.789753 
1 1 1    5   20   11 o  108.262   2.1527   92.258   3.6573   88.964   5.0520   95.885   5.3016  106.104   3.0372  110.149   3.0700 -4.044960 4.318508 
1 1 1    5   20   12 o   42.968   4.1052   14.800   2.7345   18.291   3.9081   11.451   3.8276   47.493   5.3358   37.019   6.8406 10.47428 8.675481 
1 1 1    5   20   13 o   42.957   4.0192   14.805   2.6780   17.488   3.8292   12.235   3.7467   46.350   5.3633   38.333   6.4576 8.016758 8.394371 
1 1 1    5   20   14 o   27.472   6.2001   6.3805   2.6093   3.9853   3.6596   8.8574   3.7214   22.927   8.1256   32.088   7.5219 -9.160669 11.07272 
1 1 1    5   20   15 o   26.406   6.1885   5.9351   2.5194   4.3657   3.5558   7.5173   3.5703   23.363   8.0272   29.393   7.6628 -6.030699 11.09749 
1 1 1    5   20   16 o   15.414   6.3472   0.8063   2.4757  -0.0115   3.4416   1.6832   3.5638   16.562   7.1765   18.965   7.6888 -2.403097 10.51758 
1 1 1    5   20   17 o   10.068   4.8874  -3.8952   2.4224  -6.8642   3.4527  -1.0172   3.3995   11.207   5.5216   15.279   6.8506 -4.071951 8.798783 
1 1 1    5   20   18 o   18.694   6.6427   2.7087   2.4471   2.9269   3.5165   2.5039   3.4077   20.443   7.8332   19.640   7.6607 0.8026257 10.95651 
1 1 1    5   20   19 o   39.996   4.5454   13.255   2.8024   12.791   4.0464   13.682   3.8849   37.946   7.0546   39.627   6.4702 -1.680817 9.572430 
1 1 1    5   20   20 o   23.288   6.9891   4.8887   2.7574   2.7092   3.9243   7.0143   3.8754   20.270   8.1207   27.243   8.3092 -6.973446 11.61844 
1 1 1    5   20   21 o   29.366   6.0550   7.6981   2.6976   5.5627   3.8241   9.8132   3.8060   24.262   8.3250   32.188   7.6483 -7.925964 11.30494 
1 1 1    5   20   22 o   9.7930   4.8168  -4.7000   2.5904  -3.6555   3.6556  -5.7534   3.6712   13.073   6.2589   11.887   5.8237 1.186256 8.549263 
1 1 1    5   20   23 o   13.833   6.0078   0.4554   2.4232   2.4751   3.4140  -1.5954   3.4401   18.080   7.4502   13.792   6.4399 4.288452 9.847777 
1 1 1    5   20   24 o   15.388   6.3397   1.6641   2.4715   4.0652   3.5734  -0.5376   3.4219   19.791   7.8072   14.292   6.5860 5.498782 10.21410 
1 1 1    5   20   25 o   11.676   5.4014  -0.7942   2.3341   5.3061   3.2851  -7.0140   3.3171   21.302   7.6815   9.9837   4.9988 11.31807 9.164803 
1 1 1    5   20   26 o   16.614   6.3586   2.7565   2.3154  -2.5408   3.2067   8.5262   3.3466   11.909   5.7428   26.838   7.6020 -14.92871 9.527331 
1 1 1    5   20   27 o   20.191   6.4162   4.7635   2.2852   5.7418   3.1931   3.7365   3.2718   20.456   7.5427   17.302   7.2254 3.153721 10.44505 
1 1 1    5   20   28 o   11.598   5.3396   0.2735   2.2420  -0.8710   3.2594   1.3013   3.0889   11.980   5.7801   13.488   6.2306 -1.508575 8.498785 
1 1 1    5   21    0 o   66.914   4.0728   35.654   4.2401   35.654   4.2401   35.654   4.2401   66.914   4.0728   66.914   4.0728 0.000000 0.000000 
1 1 1    5   21    1 o   19.444   6.9504   2.6144   2.6829   3.6479   3.7991   1.5862   3.7894   22.945   8.2623   19.819   7.9662 3.126041 11.47721 
1 1 1    5   21    2 o   13.436   6.0321  -1.1940   2.6452   1.3717   3.7742  -3.6711   3.7084   19.493   7.9089   14.141   6.6299 5.351839 10.32016 
1 1 1    5   21    3 o   25.981   6.9076   5.6102   2.8647   8.1492   4.0029   2.9448   4.1014   31.158   8.1094   22.282   8.4788 8.875376 11.73249 
1 1 1    5   21    4 o   33.897   5.6645   9.3975   2.9070   11.706   4.0524   6.9499   4.1724   37.561   7.1357   28.962   8.5747 8.599096 11.15539 
1 1 1    5   21    5 o   38.972   5.1828   12.291   3.0913   10.017   4.1606   15.093   4.6186   34.513   7.8584   42.751   7.1356 -8.237259 10.61473 
1 1 1    5   21    6 o   35.780   5.5569   10.449   3.0190   3.0237   4.2168   18.258   4.3243   22.512   8.5897   47.418   5.9413 -24.90629 10.44419 
1 1 1    5   21    7 o   26.073   7.0235   5.6799   2.9377   9.1761   4.0722   1.8859   4.2422   32.938   7.9662   20.971   8.4289 11.96669 11.59772 
1 1 1    5   21    8 o   36.511   5.4669   10.883   3.0361   11.039   4.2199   10.715   4.3715   36.192   7.6685   35.561   8.0248 0.6318016 11.09966 
1 1 1    5   21    9 o   17.066   7.0213   0.8683   3.0260   2.4000   4.2239  -0.7467   4.3371   21.549   8.4920   18.111   7.9476 3.438469 11.63093 
1 1 1    5   21   10 o   76.264   3.3666   46.119   4.0193   40.871   5.7373   51.177   5.6325   71.275   5.1644   80.023   4.5034 -8.747841 6.852105 
1 1 1    5   21   11 o   66.180   3.1231   34.726   3.2343   30.997   4.6027   38.364   4.5459   62.084   4.7605   69.283   4.2008 -7.199001 6.348912 
1 1 1    5   21   12 o   65.580   3.1229   34.142   3.2046   33.409   4.6470   34.807   4.4253   64.425   4.6271   65.876   4.3042 -1.451157 6.319498 
1 1 1    5   21   13 o   52.221   3.7519   21.844   3.0542   24.136   4.4022   19.717   4.2409   54.405   5.2201   48.977   5.6194 5.427704 7.669929 
1 1 1    5   21   14 o   34.781   5.1767   10.015   2.7396   8.2295   3.8580   11.832   3.8909   30.571   7.9634   37.178   6.9238 -6.606094 10.55242 
1 1 1    5   21   15 o   15.886   6.5669   0.8472   2.6637  -1.9954   3.7664   3.6917   3.7677   15.269   6.9895   22.196   8.1917 -6.926919 10.76833 
1 1 1    5   21   16 o   39.048   4.6870   12.575   2.8148   9.5829   4.0109   15.478   3.9511   32.634   7.9144   42.732   6.0619 -10.09787 9.969173 
1 1 1    5   21   17 o   15.119   6.4078   0.4757   2.6341  -1.7589   3.8047   2.5328   3.6505   15.381   7.0348   19.978   7.8879 -4.597116 10.56917 
1 1 1    5   21   18 o   8.8946   4.4592  -7.2736   2.6796  -7.0434   3.8240  -7.4957   3.7559   11.893   5.8504   11.522   5.6923 0.3715200 8.162664 
1 1 1    5   21   19 o   21.227   7.0689   3.9439   2.7566   7.9545   3.9301   0.0605   3.8673   28.900   8.2555   16.989   7.4784 11.91114 11.13910 
1 1 1    5   21   20 o   20.657   7.0383   3.7821   2.7323   2.8837   3.8874   4.6592   3.8412   20.119   8.0749   22.715   8.2897 -2.596489 11.57253 
1 1 1    5   21   21 o   25.005   7.0639   6.0028   2.8935   4.9455   4.1070   7.0448   4.0772   22.746   8.5222   26.148   8.5928 -3.401642 12.10225 
1 1 1    5   21   22 o   15.491   6.5987   1.1379   2.8176  -4.0730   3.9956   6.2923   3.9739   13.177   6.3681   23.967   8.4698 -10.78928 10.59675 
1 1 1    5   21   23 o   12.824   5.9297  -0.8981   2.8081  -3.9722   3.9764   2.1603   3.9662   12.887   6.2574   17.626   7.6702 -4.738822 9.898806 
1 1 1    5   21   24 o   12.964   5.8795  -0.0984   2.5877   0.8494   3.6132  -1.0964   3.7077   15.488   6.9932   13.978   6.5773 1.510324 9.600304 
1 1 1    5   21   25 o   11.899   5.5270  -0.7577   2.4815  -2.3545   3.3452   1.1963   3.7004   12.295   5.9127   15.603   7.0582 -3.308685 9.207483 
1 1 1    5   21   26 o   14.898   6.2922   1.9873   2.5252   2.0193   3.5837   1.9558   3.5588   15.621   7.0166   15.544   6.9862 0.7724190E-01 9.901511 
1 1 1    5   21   27 o   12.649   5.7485   0.8739   2.4895   3.6893   3.5684  -1.7959   3.4748   16.056   7.1201   11.769   5.7445 4.287010 9.148471 
1 1 1    5   22    0 o   12.005   7.9072  -0.6447   3.8025  -0.6447   3.8025  -0.6447   3.8025   12.005   7.9072   12.005   7.9072 0.000000 0.000000 
1 1 1    5   22    1 o   45.970   3.9966   16.863   2.8546   18.788   4.0867   15.030   3.9890   48.199   5.5013   42.890   6.0983 5.309391 8.212965 
1 1 1    5   22    2 o   26.442   6.6173   5.8489   2.7391   8.0991   3.8457   3.5321   3.9022   30.959   7.8928   22.786   8.3489 8.172949 11.48917 
1 1 1    5   22    3 o   21.677   7.0026   3.7157   2.7137   5.9132   3.8568   1.5609   3.8191   26.832   8.3087   19.741   7.9753 7.090176 11.51694 
1 1 1    5   22    4 o   41.614   4.4784   13.917   2.8787   13.692   4.1116   14.133   4.0317   40.707   6.6668   41.448   6.4047 -0.7406044 9.244808 
1 1 1    5   22    5 o   14.898   6.6618  -1.2144   3.1910  -1.2438   4.4370  -1.1827   4.5925   17.866   7.9304   18.259   8.0883 -0.3924980 11.32748 
1 1 1    5   22    6 o   46.429   4.3293   17.280   3.1180   16.193   4.7385   18.111   4.1408   44.160   7.0765   47.183   5.7081 -3.022797 9.091733 
1 1 1    5   22    7 o   58.142   3.2459   26.817   2.9499   26.041   4.1253   27.628   4.2201   56.967   4.6550   58.697   4.6185 -1.730373 6.557468 
1 1 1    5   22    8 o   20.946   6.9657   3.4305   2.6769   3.2509   3.7176   3.6239   3.8576   21.942   8.1301   22.726   8.3053 -0.7844448 11.62219 
1 1 1    5   22    9 o   17.235   6.9565   1.2184   2.9027  -0.1818   3.9417   2.8773   4.2904   17.732   7.6817   22.159   8.6092 -4.427866 11.53808 
1 1 1    5   22   10 o   44.020   4.5995   15.681   3.1306   16.965   4.1536   13.993   4.7634   45.351   5.9819   40.449   7.7868 4.902569 9.819206 
1 1 1    5   22   11 o   26.017   6.7139   5.7840   2.7595   4.6303   3.9021   6.9381   3.9030   24.178   8.4042   28.302   8.2703 -4.124252 11.79106 
1 1 1    5   22   12 o   48.356   3.7209   18.775   2.8019   19.634   3.9636   17.916   3.9615   48.924   5.2442   46.601   5.5243 2.323277 7.617102 
1 1 1    5   22   13 o   44.358   3.9289   15.900   2.7067   19.208   3.8421   12.642   3.8138   48.312   5.1468   38.518   6.5432 9.793812 8.324819 
1 1 1    5   22   14 f   21.804   7.0551   4.0044   2.7539   6.1900   3.8218   1.6441   3.9717   26.447   8.2837   19.480   8.0324 6.966444 11.53859 
1 1 1    5   22   15 o   21.509   7.2658   3.8673   2.9113   2.1956   4.0712   5.6165   4.1646   20.200   8.2074   25.351   8.6881 -5.150871 11.95177 
1 1 1    5   22   16 o   14.584   6.4191  -0.3031   2.8488   0.4382   4.0149  -1.0547   4.0429   17.890   7.7516   16.465   7.4192 1.425293 10.72997 
1 1 1    5   22   17 o   14.995   6.5540  -0.0405   2.9231   4.7759   4.1349  -4.8521   4.1329   23.559   8.6003   13.740   6.5985 9.818430 10.84000 
1 1 1    5   22   18 o   12.289   5.7435  -2.1035   2.7468   1.0020   3.8721  -5.2491   3.8971   17.960   7.6953   12.900   6.2473 5.060692 9.911910 
1 1 1    5   22   19 o   30.687   6.0768   8.4371   2.8228   8.9698   3.9926   7.9047   3.9916   30.213   8.2090   28.240   8.3933 1.972178 11.74033 
1 1 1    5   22   20 o   13.488   6.0393  -0.3890   2.6323  -3.5374   3.6509   3.0200   3.7989   13.096   6.2658   19.725   7.9593 -6.629031 10.12975 
1 1 1    5   22   21 o   19.362   6.9707   3.5776   2.7040   4.3313   3.8983   2.8788   3.7538   20.889   8.1802   18.846   7.7935 2.042978 11.29843 
1 1 1    5   22   22 o   17.232   6.7390   2.6801   2.6426   3.4119   3.7724   1.9750   3.7030   18.922   7.8178   17.151   7.4377 1.771221 10.79061 
1 1 1    5   22   23 o   14.156   6.2019   0.8566   2.6311  -0.8956   3.7012   2.6467   3.7411   14.096   6.6135   17.447   7.5206 -3.350532 10.01493 
1 1 1    5   22   24 o   13.101   5.9281   0.1563   2.6126  -2.6290   3.6469   3.0932   3.7447   12.624   6.0966   17.585   7.5517 -4.961327 9.705526 
1 1 1    5   22   25 o   11.386   5.3713  -1.0622   2.5011  -1.0022   3.5001  -1.1249   3.5753   13.088   6.2268   13.105   6.2512 -0.1684380E-01 8.823298 
1 1 1    5   22   26 o   16.447   6.4581   3.4790   2.4352   4.0916   3.5392   2.9283   3.3559   16.618   7.2383   15.394   6.8611 1.223929 9.973376 
1 1 1    5   23    0 o   9.1854   6.4876  -4.4693   3.7755  -4.4693   3.7755  -4.4693   3.7755   9.1854   6.4876   9.1854   6.4876 0.000000 0.000000 
1 1 1    5   23    1 o   28.340   6.4771   6.7467   2.8175   8.2959   3.9884   5.2034   3.9808   31.177   8.0847   25.531   8.4946 5.645964 11.72694 
1 1 1    5   23    2 o   41.770   4.4612   14.049   2.8791   10.516   4.0535   17.646   4.0900   35.228   7.5586   46.518   5.7232 -11.29061 9.480911 
1 1 1    5   23    3 o   41.144   4.6164   13.665   2.9294   9.7683   4.1183   17.656   4.1676   33.830   7.9010   46.483   5.8420 -12.65278 9.826268 
1 1 1    5   23    4 o   34.778   5.4493   9.9336   2.8764   10.457   4.0707   9.4117   4.0651   35.073   7.6147   33.174   7.9187 1.898834 10.98586 
1 1 1    5   23    5 o   36.998   5.5254   11.239   3.1099   8.7299   4.7128   13.175   4.1391   31.798   9.0260   39.679   6.8975 -7.880304 11.35978 
1 1 1    5   23    6 o   38.906   5.5686   12.434   3.3031   16.214   4.6889   8.7097   4.6540   44.013   7.0246   31.696   8.9603 12.31714 11.38557 
1 1 1    5   23    7 o   43.717   4.6921   15.482   3.1687   13.583   4.4577   17.421   4.5050   40.014   7.3705   45.807   6.4450 -5.792900 9.790895 
1 1 1    5   23    8 o   15.750   6.7507   0.0918   2.9820  -0.9863   4.1093   1.2910   4.3341   17.176   7.6275   20.064   8.3426 -2.888647 11.30386 
1 1 1    5   23    9 o   49.671   4.6650   20.016   3.5937   21.547   4.9305   18.280   5.2491   50.890   6.3087   46.291   7.4808 4.599724 9.785857 
1 1 1    5   23   10 o   17.009   7.0912   0.8260   3.1437  -0.4855   4.1782   2.5370   4.7724   17.685   7.7794   22.068   8.9153 -4.383026 11.83219 
1 1 1    5   23   11 o   16.806   6.8228   1.2205   2.8106   0.7364   3.9231   1.7311   4.0286   18.404   7.8110   19.803   8.1195 -1.399334 11.26662 
1 1 1    5   23   12 o   51.772   3.7430   21.617   3.0205   20.551   4.2730   22.682   4.2702   49.665   5.5788   52.361   5.2683 -2.696541 7.673199 
1 1 1    5   23   13 o   24.689   6.9973   5.3696   2.8345   3.2975   4.0498   7.3594   3.9686   21.698   8.3822   28.434   8.3480 -6.736359 11.83009 
1 1 1    5   23   14 o   20.504   7.0634   3.4685   2.7538   3.6048   3.9935   3.3449   3.8023   21.932   8.3614   21.340   8.1532 0.5924301 11.67855 
1 1 1    5   23   15 o   14.184   6.2286  -0.2272   2.6680   0.1957   3.9270  -0.5898   3.6361   17.394   7.5995   16.006   7.1373 1.387716 10.42555 
1 1 1    5   23   16 o   9.4478   4.6692  -5.2583   2.5348  -8.1726   3.5882  -2.3554   3.5812   10.782   5.3674   14.189   6.6072 -3.406696 8.512558 
1 1 1    5   23   17 o   17.936   6.7465   2.4285   2.5793   2.3578   3.6001   2.5032   3.6970   19.161   7.7424   19.485   7.8557 -0.3244629 11.02985 
1 1 1    5   23   18 o   12.389   5.7131  -1.3875   2.5814  -4.0956   3.6103   1.4452   3.6924   12.778   6.1443   17.859   7.5787 -5.081096 9.756485 
1 1 1    5   23   19 o   14.291   6.4312  -0.3899   3.0267   0.8216   4.2800  -1.6020   4.2809   17.627   7.8082   15.577   7.2434 2.049911 10.65061 
1 1 1    5   23   20 o   28.030   7.0959   7.9760   3.1237   11.530   4.4418   4.4985   4.3938   32.088   8.6330   21.085   8.5413 11.00272 12.14424 
1 1 1    5   23   21 o   11.463   5.4117  -1.6872   2.5470   0.9027   3.6102  -4.2541   3.5940   15.834   7.0827   11.964   5.8404 3.870104 9.180090 
1 1 1    5   23   22 o   13.627   6.0137   0.6164   2.5158   3.2396   3.5792  -1.9450   3.5368   18.006   7.5411   13.037   6.2184 4.969194 9.774244 
1 1 1    5   23   23 o   28.265   6.2357   8.3090   2.6916   5.8278   3.7167   11.045   3.9032   21.177   8.0682   29.959   8.1067 -8.781437 11.43742 
1 1 1    5   23   24 o   12.454   5.8078  -0.4420   2.7830  -4.5592   3.8649   3.9919   4.0108   11.629   5.7504   17.854   7.7417 -6.225285 9.643730 
1 1 1    5   23   25 o   11.710   5.5498  -0.4949   2.7285  -1.4370   3.8310   0.4749   3.8870   12.436   6.0616   13.613   6.5003 -1.177661 8.888030 
1 1 1    5   24    0 o   16.931   10.567   1.8199   5.7267   1.8199   5.7267   1.8199   5.7267   16.931   10.567   16.931   10.567 0.000000 0.000000 
1 1 1    5   24    1 o   35.566   7.6678   10.858   4.1536   11.859   5.8922   9.8692   5.8561   36.463   9.9993   33.441   10.217 3.021542 14.29599 
1 1 1    5   24    2 o   35.418   8.0677   10.860   4.3836   13.677   6.2575   8.1451   6.1429   39.047   10.127   31.004   10.553 8.042656 14.62656 
1 1 1    5   24    3 o   36.798   6.8121   11.445   3.7889   5.8564   5.1341   18.129   5.6149   27.154   9.6243   45.978   8.0764 -18.82388 12.56404 
1 1 1    5   24    4 f   19.769   7.4330   2.5677   3.1302   1.2944   4.3427   3.9446   4.5159   20.070   8.3485   23.777   8.9305 -3.706917 12.22498 
1 1 1    5   24    5 o   14.286   6.4604  -1.4121   3.0973  -3.3138   4.3373   0.5668   4.4246   15.677   7.2905   19.359   8.2584 -3.681663 11.01603 
1 1 1    5   24    6 o   55.439   3.9771   24.701   3.4372   22.277   4.7532   27.356   4.9762   51.882   5.9453   57.729   5.5616 -5.847523 8.141129 
1 1 1    5   24    7 o   27.878   6.6936   6.6936   2.8913   8.9473   4.0465   4.3428   4.1328   31.841   8.0847   23.765   8.6095 8.075531 11.81043 
1 1 1    5   24    8 o   16.244   6.6144   1.0738   2.6511   3.0346   3.7234  -0.9421   3.7755   21.180   8.0740   16.308   7.2723 4.871996 10.86629 
1 1 1    5   24    9 o   30.656   6.5858   8.1280   3.0738   12.271   4.3015   3.8046   4.3939   37.362   7.5955   23.023   8.7722 14.33885 11.60360 
1 1 1    5   24   10 o   29.080   6.3723   7.3278   2.8275   5.8697   3.7680   9.2071   4.2777   25.813   8.2431   31.805   8.4341 -5.992470 11.79332 
1 1 1    5   24   11 o   19.256   6.9305   2.8441   2.6726   3.3892   3.8057   2.3136   3.7542   21.528   8.1730   19.891   7.9516 1.636454 11.40293 
1 1 1    5   24   12 o   12.894   5.8743  -1.2725   2.6200   1.5729   3.7311  -4.0400   3.6797   18.759   7.7650   13.320   6.3503 5.439490 10.03102 
1 1 1    5   24   13 o   14.907   6.3964   0.2948   2.6824   2.2440   3.7622  -1.7207   3.8256   19.588   7.9147   15.366   7.0376 4.221636 10.59110 
1 1 1    5   24   14 o   19.699   6.9184   3.2124   2.6483   4.0978   3.7569   2.3378   3.7338   22.168   8.1803   19.531   7.8875 2.636395 11.36348 
1 1 1    5   24   15 o   13.266   5.9775  -0.7981   2.6238   0.0801   3.8064  -1.5931   3.6217   16.818   7.4107   14.850   6.8185 1.968393 10.07026 
1 1 1    5   24   16 o   21.726   6.9737   4.3154   2.6942   9.3031   3.8363  -0.5390   3.7847   31.045   7.8662   15.987   7.1934 15.05750 10.65933 
1 1 1    5   24   17 o   16.162   6.7437   1.2733   2.8466  -2.3105   4.0399   4.8069   4.0115   14.812   6.9366   22.585   8.4304 -7.772733 10.91739 
1 1 1    5   24   18 o   21.964   7.1700   4.7681   2.8409   7.4906   4.0562   2.1468   3.9801   26.225   8.5679   18.422   7.8448 7.803091 11.61677 
1 1 1    5   24   19 o   17.146   6.9117   2.3914   2.8614   3.4280   4.0771   1.3853   4.0168   19.423   8.0849   17.127   7.5768 2.295155 11.08034 
1 1 1    5   24   20 o   18.912   7.2971   3.7112   3.0664  -1.3786   4.0179   10.811   4.7453   14.386   6.7931   28.633   9.2609 -14.24636 11.48522 
1 1 1    5   24   21 o   18.069   6.7632   3.4458   2.5853   6.1893   3.7035   0.8384   3.6105   22.093   8.1272   15.301   6.9415 6.792225 10.68810 
1 1 1    5   24   22 o   13.049   5.8691   0.3248   2.5167   0.1688   3.5409   0.4840   3.5775   14.375   6.6511   14.689   6.7564 -0.3139591 9.480837 
1 1 1    5   24   23 o   12.264   5.6916  -0.3086   2.6228  -0.5459   3.6979  -0.0683   3.7206   13.591   6.4470   13.959   6.5747 -0.3679466 9.208164 
1 1 1    5   24   24 o   15.130   6.3882   2.7396   2.6014   0.6366   3.6632   4.8793   3.6949   13.510   6.4108   17.346   7.4757 -3.836273 9.848096 
1 1 1    5   25    0 o   7.7138   5.6161  -8.5104   3.9267  -8.5104   3.9267  -8.5104   3.9267   7.7138   5.6161   7.7138   5.6161 0.000000 0.000000 
1 1 1    5   25    1 o   13.451   6.1048  -1.3720   2.7965   2.1037   3.9535  -4.8522   3.9560   20.241   8.1365   13.657   6.5310 6.583799 10.43341 
1 1 1    5   25    2 o   25.770   6.9012   5.7452   2.8465   3.6662   3.9964   7.8861   4.0555   22.523   8.4131   29.808   8.3423 -7.285427 11.84800 
1 1 1    5   25    3 o   13.270   6.0705  -1.6350   2.8353  -0.2685   3.9966  -3.0195   4.0229   17.471   7.6492   15.069   7.0122 2.402279 10.37697 
1 1 1    5   25    4 o   40.291   4.7509   13.323   2.9463   14.841   4.1764   11.818   4.1571   41.766   6.5903   36.790   7.4560 4.975536 9.951066 
1 1 1    5   25    5 o   22.021   7.1829   4.0524   2.8513   4.3073   3.9865   3.7854   4.0799   23.384   8.4580   22.669   8.4938 0.7155724 11.98673 
1 1 1    5   25    6 o   36.054   5.2424   10.844   2.8793   11.990   4.0455   9.6662   4.0989   37.047   7.2180   32.828   8.0250 4.219563 10.79351 
1 1 1    5   25    7 f   11.897   5.6364  -2.9939   2.8094   0.0212   3.8548  -6.4100   4.1030   17.331   7.5514   12.988   6.3177 4.343008 9.845603 
1 1 1    5   25    8 o   35.750   5.6432   10.822   3.0611   11.909   4.3948   9.7977   4.2661   36.359   7.9263   32.732   8.2960 3.627716 11.47385 
1 1 1    5   25    9 o   14.667   6.6306  -1.1794   3.2599  -5.5374   4.8267   2.4760   4.4205   14.939   7.1630   20.966   8.5398 -6.026950 11.14615 
1 1 1    5   25   10 o   26.337   7.7119   6.3101   3.3907   5.0787   4.5835   7.7985   5.0391   24.489   9.0357   28.692   9.5576 -4.202583 13.15264 
1 1 1    5   25   11 o   28.202   7.3709   7.2579   3.2979   5.6195   4.8211   8.6988   4.5211   25.241   9.2749   30.137   8.9266 -4.895868 12.87274 
1 1 1    5   25   12 o   30.836   6.9800   8.6209   3.2988   11.005   4.7907   6.4716   4.5490   33.632   8.9286   26.217   9.0763 7.415495 12.73183 
1 1 1    5   25   13 o   15.698   6.9118  -0.0511   3.3051  -0.6793   4.4915   0.6907   4.8811   17.331   7.8137   19.175   8.4225 -1.844530 11.48883 
1 1 1    5   25   14 o   20.572   7.4341   3.6419   3.0789   7.5244   4.3984  -0.0884   4.3114   27.417   8.9197   17.384   7.7604 10.03293 11.82300 
1 1 1    5   25   15 o   15.570   6.6526   0.7624   2.8793  -3.2659   4.0815   4.7533   4.0626   14.281   6.7740   22.640   8.4772 -8.358814 10.85129 
1 1 1    5   25   16 o   21.874   7.2268   4.6151   2.8826   6.8532   4.0773   2.3786   4.0759   25.518   8.5986   19.058   8.0186 6.459572 11.75726 
1 1 1    5   25   17 o   22.550   7.2050   5.1907   2.8784  -1.5001   4.0025   12.357   4.1423   14.821   6.9291   34.418   7.8443 -19.59724 10.46640 
1 1 1    5   25   18 o   15.966   6.6238   1.8303   2.7237   5.4520   3.9203  -1.5491   3.7869   21.822   8.2927   14.098   6.6379 7.723933 10.62220 
1 1 1    5   25   19 f   8.8947   4.4496  -5.8005   2.6014  -4.2885   3.6860  -7.3009   3.6718   11.962   5.8551   10.581   5.2921 1.380651 7.892368 
1 1 1    5   25   20 o   17.967   6.8904   3.4721   2.7225   3.1926   4.0218   3.7085   3.6988   17.810   7.7373   18.333   7.6711 -0.5223522 10.89547 
1 1 1    5   25   21 o   15.693   6.5588   2.2306   2.6991  -0.2433   3.9597   4.3777   3.6888   14.441   6.7957   18.816   7.7480 -4.375757 10.30598 
1 1 1    5   25   22 o   12.637   5.8179   0.1054   2.6611   0.8944   3.8522  -0.6149   3.6804   14.658   6.8347   13.392   6.3752 1.266251 9.346433 
1 1 1    5   25   23 o   15.550   6.5709   3.1474   2.7560   8.9042   3.9015  -2.5862   3.8936   22.107   8.3013   11.799   5.8228 10.30874 10.13990 
1 1 1    5   26    0 o   19.805   10.150   4.9561   4.0005   4.9561   4.0005   4.9561   4.0005   19.805   10.150   19.805   10.150 0.000000 0.000000 
1 1 1    5   26    1 o   20.283   7.2522   3.2133   2.9212   4.3815   4.1217   2.0343   4.1407   23.413   8.5803   20.149   8.2430 3.264320 11.89828 
1 1 1    5   26    2 o   26.593   7.7854   6.3319   3.4559   14.492   5.1724  -0.2482   4.6448   39.857   8.5274   18.510   8.1698 21.34711 11.80944 
1 1 1    5   26    3 o   33.844   6.4652   9.9360   3.3087   14.136   4.7494   5.9750   4.6120   39.698   7.9015   26.118   9.1330 13.58070 12.07663 
1 1 1    5   26    4 o   21.692   7.6318   3.8524   3.2237   1.0355   4.5547   6.6801   4.5634   19.569   8.3642   27.156   9.0962 -7.587019 12.35727 
1 1 1    5   26    5 o   15.615   6.8438  -0.1761   3.2067  -3.6552   4.4804   3.4777   4.5916   15.382   7.2356   22.429   8.8492 -7.047272 11.43079 
1 1 1    5   26    6 o   17.006   7.1685   0.8828   3.2671  -2.5869   4.5421   4.6022   4.7028   16.222   7.5151   23.950   9.0871 -7.727831 11.79205 
1 1 1    5   26    7 o   19.916   7.2575   3.1093   2.9426   3.6703   4.1881   2.5623   4.1354   22.109   8.5287   20.547   8.2996 1.562487 11.90050 
1 1 1    5   26    8 o   11.228   5.4151  -3.9048   2.8528   0.4606   4.0350  -8.2678   4.0339   17.842   7.7505   11.799   5.8419 6.042651 9.705528 
1 1 1    5   26    9 o   33.009   6.1709   9.5622   3.0790   8.8912   4.5722   10.119   4.1650   30.260   8.9805   32.797   8.1326 -2.537674 12.11562 
1 1 1    5   26   10 o   26.443   6.8185   6.3670   2.8477   7.3810   4.0059   5.3309   4.0491   27.737   8.4456   24.188   8.5495 3.548512 12.01756 
1 1 1    5   26   11 o   14.703   6.4067   0.1104   2.7751   1.2953   3.9567  -1.0368   3.8932   18.353   7.8188   15.867   7.2023 2.485603 10.63048 
1 1 1    5   26   12 o   18.261   6.9954   2.5088   2.8040   2.5386   3.9043   2.4771   4.0295   19.637   8.0153   19.706   8.1043 -0.6879997E-01 11.39849 
1 1 1    5   26   13 o   14.832   6.4369   0.3588   2.7775   0.3572   3.8820   0.3605   3.9757   16.895   7.4625   17.052   7.5410 -0.1569862 10.60920 
1 1 1    5   26   14 o   12.367   5.7732  -1.7635   2.7615   3.9732   3.9233  -7.3964   3.8876   21.073   8.2198   11.518   5.7085 9.555083 10.00764 
1 1 1    5   26   15 o   16.881   6.8040   2.1074   2.7726   0.4864   3.8523   3.8494   3.9936   16.371   7.3199   20.375   8.1820 -4.003704 10.97844 
1 1 1    5   26   16 o   12.207   5.6978  -1.3598   2.6887  -0.5504   3.8024  -2.1692   3.8025   15.020   6.9292   13.793   6.5413 1.227134 9.529021 
1 1 1    5   26   17 o   17.050   6.7799   2.6604   2.7150   0.2074   3.8285   5.1418   3.8507   15.339   7.0310   20.979   8.1546 -5.640070 10.76717 
1 1 1    5   26   18 o   13.470   6.0439   0.3490   2.6510   2.9251   3.6971  -2.3773   3.8034   17.547   7.5188   13.121   6.3084 4.426751 9.814752 
1 1 1    5   26   19 o   15.780   6.5494   2.2368   2.6644  -0.1448   3.7776   4.5944   3.7585   14.407   6.7342   19.252   7.8621 -4.845361 10.35189 
1 1 1    5   26   20 o   12.576   5.8146  -0.2499   2.6992  -4.0517   3.7042   4.0540   3.9412   11.691   5.7524   18.129   7.7655 -6.437472 9.664011 
1 1 1    5   26   21 o   9.5128   4.7195  -4.0956   2.6829   0.1575   3.8944  -7.9377   3.7014   13.902   6.6006   9.8542   4.9784 4.047526 8.267602 
1 1 1    5   26   22 o   15.089   6.4659   2.9606   2.7345   2.6853   3.8865   3.2304   3.8482   14.771   6.8797   15.209   6.9998 -0.4386311 9.814672 
1 1 1    5   27    0 o   13.433   8.5188   0.9911   3.8879   0.9911   3.8879   0.9911   3.8879   13.433   8.5188   13.433   8.5188 0.000000 0.000000 
1 1 1    5   27    1 o   16.058   6.6855   0.9552   2.7885   5.0782   3.9561  -3.1159   3.9311   24.021   8.4542   14.471   6.7978 9.550255 10.84825 
1 1 1    5   27    2 o   24.211   7.0289   5.2706   2.8274   4.3457   3.9838   6.2094   4.0134   22.843   8.4247   25.935   8.5255 -3.091751 11.98580 
1 1 1    5   27    3 o   13.017   6.0079  -1.7336   2.8631  -3.4742   4.0117   0.0733   4.0874   14.370   6.7862   17.512   7.6991 -3.141728 10.26293 
1 1 1    5   27    4 o   13.689   6.2922  -1.6416   3.0958   1.4938   4.3612  -4.8257   4.3951   19.440   8.2424   14.304   6.8523 5.135127 10.71875 
1 1 1    5   27    5 o   23.004   7.4780   4.7490   3.0918   8.3016   4.3663   1.1761   4.3787   29.326   8.7934   19.066   8.1763 10.26016 12.00731 
1 1 1    5   27    6 o   15.165   6.6299   0.0291   2.9930   2.4089   4.2880  -2.2320   4.1797   20.269   8.3507   15.539   7.2023 4.730463 11.02755 
1 1 1    5   27    7 o   18.550   7.2956   2.3380   3.1120   1.0404   4.3894   3.6496   4.4129   18.796   8.1244   21.883   8.6622 -3.086859 11.87606 
1 1 1    5   27    8 o   27.225   7.3639   6.9404   3.2215   2.7744   4.7235   10.563   4.4048   21.017   8.7215   32.911   8.4770 -11.89378 12.16242 
1 1 1    5   27    9 o   19.124   7.7433   2.3980   3.6092   6.8217   5.6279  -0.6924   4.7038   26.237   9.9440   17.498   7.9321 8.739496 12.72012 
1 1 1    5   27   10 o   16.133   6.9344   0.7500   3.1631  -0.4919   4.7452   1.7430   4.2433   17.567   7.9649   18.967   8.0892 -1.399673 11.35234 
1 1 1    5   27   11 o   26.160   7.2328   6.6013   3.0687   4.4849   4.3230   8.7509   4.3567   22.220   8.6393   28.947   8.8064 -6.727007 12.33659 
1 1 1    5   27   12 o   10.270   5.0687  -5.4650   2.9519  -8.5355   4.1395  -2.2880   4.2107   11.537   5.7468   14.966   7.0318 -3.428056 9.081393 
1 1 1    5   27   13 o   28.663   6.9886   8.1642   3.1147   9.9490   4.4369   6.4300   4.3736   29.690   8.8552   24.016   8.8324 5.673908 12.50702 
1 1 1    5   27   14 o   14.262   6.4116   0.0538   2.9993   6.9752   4.3070  -6.4630   4.1792   24.197   8.7858   12.133   5.9959 12.06430 10.63678 
1 1 1    5   27   15 o   10.841   5.2856  -3.6834   2.9172  -3.4090   4.2031  -3.9384   4.0522   13.446   6.5060   12.912   6.2804 0.5335598 9.042699 
1 1 1    5   27   16 o   13.506   6.1440   0.0281   2.8524   2.2326   4.0772  -2.0851   3.9919   17.119   7.6001   13.640   6.5332 3.478597 10.02222 
1 1 1    5   27   17 o   13.744   6.2109   0.4331   2.8573  -0.9157   4.1138   1.6903   3.9717   14.312   6.7923   16.187   7.3183 -1.874853 9.984641 
1 1 1    5   27   18 o   15.989   6.9198   2.2590   3.1920   1.6683   4.5725   2.8205   4.4581   16.301   7.5476   17.163   7.7569 -0.8616543 10.82294 
1 1 1    5   27   19 o   25.361   7.2607   7.9150   3.0368   13.629   4.5013   3.1421   4.1141   30.752   8.8510   16.857   7.5490 13.89446 11.63310 
1 1 1    5   27   20 o   15.913   6.8265   3.2080   3.0543   6.5762   4.3730  -0.0003   4.2679   18.885   8.1357   13.734   6.6235 5.150322 10.49096 
1 1 1    5   27   21 o   14.310   6.4162   2.5861   2.9821   1.3026   4.1954   3.8969   4.2396   13.605   6.5627   15.282   7.1401 -1.676353 9.697983 
1 1 1    5   28    0 o   19.937   10.137   5.2772   3.9713   5.2772   3.9713   5.2772   3.9713   19.937   10.137   19.937   10.137 0.000000 0.000000 
1 1 1    5   28    1 o   19.326   7.1264   3.0117   2.8504   3.2661   4.0573   2.7638   4.0053   20.936   8.3000   20.208   8.1661 0.7281628 11.64367 
1 1 1    5   28    2 o   18.446   7.0579   2.5255   2.8520  -1.7808   4.0146   6.9134   4.0524   15.450   7.1247   26.660   8.5522 -11.20950 11.13112 
1 1 1    5   28    3 o   24.730   7.0745   5.6752   2.8840   7.9456   4.1248   3.5036   4.0341   28.411   8.5530   21.186   8.3141 7.224533 11.92804 
1 1 1    5   28    4 o   14.883   6.5919  -0.2020   3.0492   1.7707   4.0427  -2.8053   4.6442   18.922   7.9749   15.832   7.4217 3.089491 10.89407 
1 1 1    5   28    5 o   18.411   7.1076   2.5240   2.9103  -3.9499   4.0748   9.2653   4.1581   13.934   6.6539   30.597   8.4036 -16.66297 10.71890 
1 1 1    5   28    6 o   27.393   6.8259   6.9997   2.9236   5.2598   4.1492   8.7153   4.1201   23.573   8.6137   29.481   8.4626 -5.907137 12.07526 
1 1 1    5   28    7 o   16.825   6.8795   1.6527   2.8822  -1.1334   4.0814   4.4244   4.0707   15.858   7.2654   22.128   8.4405 -6.269861 11.13681 
1 1 1    5   28    8 o   15.886   6.6983   1.0931   2.8538  -0.9465   4.0573   3.0901   4.0147   15.880   7.2636   20.096   8.1557 -4.215278 10.92135 
1 1 1    5   28    9 o   11.670   5.6052  -3.3219   2.9847  -3.3799   4.4867  -3.2758   3.9975   14.765   7.0317   13.924   6.6330 0.8407726 9.666477 
1 1 1    5   28   10 o   16.733   6.8726   1.8402   2.8928   5.6233   4.1257  -1.8183   4.0572   23.147   8.5668   14.876   6.9617 8.271188 11.03881 
1 1 1    5   28   11 o   13.159   6.0327  -0.7803   2.8202  -0.5897   3.9677  -0.9750   4.0093   15.420   7.1007   15.176   7.0409 0.2438107 9.999698 
1 1 1    5   28   12 o   19.609   7.1669   3.9113   2.8727   3.1308   4.0654   4.6896   4.0598   18.864   7.9763   20.816   8.2863 -1.952301 11.50150 
1 1 1    5   28   13 o   16.779   6.9583   2.3546   3.0040   1.2344   4.2476   3.4754   4.2489   16.688   7.5540   18.879   8.0742 -2.191093 11.05697 
1 1 1    5   28   14 o   15.596   6.7143   1.7085   2.9745   5.3392   4.1903  -1.9793   4.2232   20.588   8.3407   14.013   6.7139 6.575060 10.70722 
1 1 1    5   28   15 o   9.4924   4.7422  -5.8157   2.9102  -3.3265   4.1319  -8.2663   4.0997   12.920   6.2969   10.809   5.4321 2.110875 8.316209 
1 1 1    5   28   16 o   8.8714   4.4722  -7.1057   2.8948  -8.2351   4.0907  -5.9729   4.0969   10.704   5.3858   11.530   5.7386 -0.8251553 7.870132 
1 1 1    5   28   17 o   9.6666   4.8326  -5.7243   3.0458  -2.5658   4.2668  -9.0062   4.3493   13.136   6.4017   10.746   5.4250 2.390252 8.391210 
1 1 1    5   28   18 o   13.643   6.3855   0.4190   3.4146  -4.7840   4.7741   5.8678   4.8856   12.377   6.1658   18.507   8.2615 -6.130661 10.30872 
1 1 1    5   28   19 o   11.613   5.7361  -2.5525   3.8052   0.4043   5.4887  -5.2889   5.2801   14.041   6.9263   12.030   6.0613 2.010830 9.203929 
1 1 1    5   28   20 o   9.9500   4.9299  -2.8063   2.8917  -9.7135   4.2655   3.0674   3.9335   9.5292   4.8654   14.337   6.7552 -4.808258 8.324934 
1 1 1    5   29    0 o   20.510   10.325   5.8176   4.0975   5.8176   4.0975   5.8176   4.0975   20.510   10.325   20.510   10.325 0.000000 0.000000 
1 1 1    5   29    1 o   14.378   6.3738  -0.0908   2.8569   2.9001   4.0432  -3.0730   4.0373   19.875   8.1397   14.236   6.7481 5.638504 10.57319 
1 1 1    5   29    2 o   19.012   7.1159   3.0590   2.8620   7.4813   4.1124  -1.0946   3.9855   26.838   8.6158   15.606   7.1609 11.23139 11.20318 
1 1 1    5   29    3 o   12.617   5.8837  -1.7733   2.8566  -3.2622   4.0350  -0.2772   4.0448   14.060   6.6880   16.379   7.3970 -2.319348 9.972220 
1 1 1    5   29    4 f   13.632   6.3620  -1.8716   3.3500  -2.5883   4.7255  -1.1477   4.7497   15.684   7.3940   16.717   7.7235 -1.033522 10.69227 
1 1 1    5   29    5 o   15.122   6.6817   0.2249   3.1147   1.3226   4.5140  -0.7727   4.3031   18.373   8.0838   16.233   7.4455 2.140230 10.99018 
1 1 1    5   29    6 o   15.626   6.8949   0.4538   3.3058  -1.5242   4.6685   2.4430   4.6819   16.107   7.5147   19.478   8.4050 -3.371519 11.27453 
1 1 1    5   29    7 o   23.508   7.8511   5.8139   3.3999   3.9607   4.8254   7.6409   4.7911   20.870   8.7493   25.549   9.2679 -4.678638 12.74532 
1 1 1    5   29    8 o   16.581   7.1484   1.5019   3.3807  -0.7159   4.7709   3.7384   4.7911   16.377   7.6261   20.238   8.6122 -3.860807 11.50337 
1 1 1    5   29    9 o   13.747   6.2978  -0.5076   3.0662  -1.9432   4.3261   0.9417   4.3466   14.719   6.9796   16.910   7.6494 -2.190514 10.35509 
1 1 1    5   29   10 o   20.398   7.3820   4.5200   3.0373   1.1470   4.2044   8.2017   4.3927   16.660   7.5309   25.267   8.9071 -8.607002 11.66411 
1 1 1    5   29   11 o   18.747   7.1865   3.7488   2.9607   5.2613   4.3730   2.4688   4.0229   20.653   8.4626   17.448   7.6557 3.204544 11.41165 
1 1 1    5   29   12 o   13.088   6.0146  -0.2432   2.8265  -1.5597   4.0199   1.0442   3.9751   13.887   6.6252   15.768   7.2037 -1.881618 9.787101 
1 1 1    5   29   13 o   13.725   6.1842   0.5452   2.8086   1.5944   3.9592  -0.5176   3.9847   15.981   7.2574   14.341   6.7698 1.639464 9.924721 
1 1 1    5   29   14 o   12.823   5.9154  -0.1465   2.7711   0.9502   3.9349  -1.2256   3.9032   15.202   7.0256   13.599   6.4989 1.602867 9.570560 
1 1 1    5   29   15 o   9.3444   4.6557  -4.9239   2.7242 -11.3628   3.8719   1.3881   3.8335   9.3412   4.7573   15.265   7.0113 -5.923970 8.472914 
1 1 1    5   29   16 o   10.847   5.2353  -1.9414   2.6796   2.2198   3.7987  -6.0625   3.7804   15.543   7.0783   10.667   5.3405 4.875923 8.866994 
1 1 1    5   29   17 o   10.663   5.1723  -1.7563   2.6984  -5.9413   3.7935   2.5302   3.8392   10.373   5.2149   14.961   6.9233 -4.587868 8.667626 
1 1 1    5   29   18 o   11.371   5.4230  -0.2366   2.6885   1.3251   3.8073  -1.7899   3.7969   13.318   6.3794   11.619   5.7371 1.699517 8.579679 
1 1 1    5   30    0 o   15.790   9.6826   3.3336   4.6075   3.3336   4.6075   3.3336   4.6075   15.790   9.6826   15.790   9.6826 0.000000 0.000000 
1 1 1    5   30    1 o   17.660   7.2219   2.5104   3.1769   5.0741   4.4461  -0.1640   4.5410   21.658   8.6550   16.467   7.5878 5.191616 11.51012 
1 1 1    5   30    2 o   14.115   6.5114  -0.8077   3.3572  -7.2091   4.6221   6.3414   4.8845   12.625   6.2515   23.131   9.1268 -10.50556 11.06254 
1 1 1    5   30    3 o   12.419   5.9738  -3.1519   3.4200  -1.2105   4.7929  -5.1657   4.8816   15.933   7.4912   13.877   6.7812 2.055305 10.10463 
1 1 1    5   30    4 o   13.107   6.2525  -2.4964   3.5778   3.0424   5.3356  -7.0215   4.8227   19.490   8.6712   12.925   6.3972 6.565462 10.77559 
1 1 1    5   30    5 o   18.893   7.7201   3.4474   3.6268   6.9630   5.4035   0.5651   4.8927   23.067   9.4242   17.038   7.8599 6.029551 12.27165 
1 1 1    5   30    6 o   14.807   6.6706   0.4104   3.2664  -5.9919   4.8218   5.8406   4.4406   13.165   6.4938   21.817   8.6724 -8.652503 10.83419 
1 1 1    5   30    7 o   15.574   6.8197   1.3591   3.1780   1.4721   4.5159   1.2483   4.4732   16.999   7.7319   16.779   7.6565 0.2192917 10.88135 
1 1 1    5   30    8 o   12.324   5.8727  -1.9283   3.1400  -1.9209   4.4776  -1.9354   4.4045   14.398   6.9021   14.296   6.8512 0.1018753 9.725141 
1 1 1    5   30    9 o   20.056   7.5070   4.7962   3.1853   3.0861   4.4803   6.5439   4.5294   17.859   7.9456   21.572   8.6958 -3.713343 11.77920 
1 1 1    5   30   10 o   21.495   7.5039   5.7087   3.1126   5.3727   4.3318   6.0674   4.4755   19.915   8.3151   20.650   8.5218 -0.7352829 11.90633 
1 1 1    5   30   11 o   19.164   7.3746   4.5333   3.1259   4.6464   4.3569   4.4132   4.4874   18.808   8.1120   18.552   8.1142 0.2563095 11.47364 
1 1 1    5   30   12 o   13.056   6.1038  -0.3613   3.1057   3.2518   4.3888  -3.9851   4.3953   17.233   7.7507   12.663   6.2373 4.570120 9.948676 
1 1 1    5   30   13 o   10.671   5.2385  -3.4379   3.0173  -0.2144   4.2102  -6.8418   4.3265   14.283   6.8048   11.328   5.6771 2.955641 8.862002 
1 1 1    5   30   14 o   17.301   7.2570   3.9735   3.3224   6.8782   4.7253   1.1336   4.6723   19.600   8.4506   15.074   7.1778 4.526250 11.08755 
1 1 1    5   30   15 o   14.079   6.4522   1.7404   3.2220   0.9096   4.5928   2.5455   4.5211   14.169   6.8424   15.106   7.1548 -0.9374475 9.899986 
1 1 1    5   30   16 o   14.092   6.4527   2.4678   3.2140   0.2528   4.5707   4.6341   4.5202   13.122   6.4430   15.558   7.3026 -2.436568 9.738535 
1 1 1    5   30   17 o   11.385   5.5454  -0.5556   3.1895  -1.1687   4.2392   0.2444   4.8420   11.883   5.9015   12.726   6.3183 -0.8437548 8.645757 
1 1 1    5   31    0 o   12.859   8.3697   1.5322   4.0776   1.5322   4.0776   1.5322   4.0776   12.859   8.3697   12.859   8.3697 0.000000 0.000000 
1 1 1    5   31    1 o   15.413   6.7588   1.4553   3.1313  -2.3190   4.5503   4.8502   4.3155   14.208   6.8488   19.881   8.3001 -5.672815 10.76094 
1 1 1    5   31    2 o   15.732   6.7453   1.8669   2.9791  -0.2310   4.1690   4.0559   4.2586   15.025   7.0396   18.925   8.0884 -3.900075 10.72283 
1 1 1    5   31    3 o   11.429   5.5094  -2.5380   2.9460  -5.5476   4.1534   0.5090   4.1791   11.995   5.9368   15.526   7.1981 -3.531253 9.330487 
1 1 1    5   31    4 o   13.009   6.0718  -0.6862   3.0522  -2.4388   4.3056   1.0842   4.3276   13.675   6.6090   16.015   7.3895 -2.340206 9.913826 
1 1 1    5   31    5 o   12.341   5.8878  -1.7227   3.1752  -4.7081   4.2488   2.0536   4.7786   12.394   6.1101   16.932   7.7955 -4.538275 9.904764 
1 1 1    5   31    6 o   19.124   7.2723   4.3791   3.0161   3.6356   4.2478   5.1349   4.2833   17.947   7.8709   19.550   8.2224 -1.602478 11.38237 
1 1 1    5   31    7 f   19.029   7.4156   4.4776   3.1908   0.6734   4.4643   8.4505   4.5622   15.454   7.2547   23.216   8.9155 -7.762393 11.49423 
1 1 1    5   31    8 o   12.823   6.0842  -1.0385   3.2982   2.4141   4.6358  -4.5775   4.6935   16.662   7.6737   12.805   6.3330 3.857061 9.949525 
1 1 1    5   31    9 o   11.626   5.6498  -2.6423   3.2604  -5.0986   4.5633  -0.0808   4.6601   12.356   6.1344   14.873   7.1060 -2.516650 9.387544 
1 1 1    5   31   10 o   13.417   6.2400   0.1360   3.1782  -0.9752   4.3598   1.3963   4.6430   13.947   6.7180   15.618   7.3526 -1.671463 9.959536 
1 1 1    5   31   11 o   13.883   6.3165   1.0177   3.0161  -0.3973   4.1874   2.5432   4.3480   13.914   6.6713   16.026   7.3991 -2.112709 9.962569 
1 1 1    5   31   12 o   14.169   6.3748   1.6451   2.9719   5.5198   4.1624  -2.3843   4.2447   18.169   7.8825   12.586   6.1856 5.583468 10.01973 
1 1 1    5   31   13 o   11.790   5.6081  -0.2969   2.8369   1.0748   4.0248  -1.6514   3.9993   13.719   6.5679   12.213   6.0026 1.506151 8.897689 
1 1 1    5   31   14 o   12.745   5.9420   1.2487   2.9106  -0.1738   3.9603   2.9196   4.2921   12.454   6.0906   14.299   6.8285 -1.844543 9.150030 
1 1 1    5   31   15 o   10.183   5.0317  -2.1067   2.9377  -4.8278   4.1366   0.6620   4.1726   10.454   5.2792   12.562   6.1657 -2.108336 8.117048 
1 1 1    5   32    0 o   10.450   7.4949  -4.6694   5.8083  -4.6694   5.8083  -4.6694   5.8083   10.450   7.4949   10.450   7.4949 0.000000 0.000000 
1 1 1    5   32    1 o   11.372   5.6354  -4.8334   3.7856   5.6763   5.8793 -12.2768   4.9478   18.942   8.6937   10.719   5.4511 8.223167 10.26131 
1 1 1    5   32    2 o   13.017   6.1764  -0.8559   3.3984  -1.0091   4.8273  -0.7055   4.7850   14.489   7.0016   14.614   7.0392 -0.1250715 9.928380 
1 1 1    5   32    3 o   15.621   6.9681   2.0847   3.4688  -0.8909   4.9404   4.9777   4.8715   14.612   7.0663   18.538   8.2642 -3.926195 10.87335 
1 1 1    5   32    4 o   12.719   6.0475  -0.9847   3.2910  -4.2904   4.7961   1.9569   4.5243   12.891   6.3802   16.015   7.4471 -3.124437 9.806403 
1 1 1    5   32    5 o   21.782   7.5802   6.3789   3.1749   4.6341   4.5075   8.0967   4.4725   18.139   8.0252   22.025   8.7199 -3.885889 11.85078 
1 1 1    5   32    6 o   11.534   5.5730  -2.0369   3.0573  -0.4694   4.3245  -3.6033   4.3229   14.116   6.7715   12.511   6.1669 1.605591 9.158845 
1 1 1    5   32    7 o   11.837   5.6761  -1.4231   3.0329  -3.5079   4.2478   0.7449   4.3318   12.366   6.0987   14.737   6.9867 -2.371038 9.274079 
1 1 1    5   32    8 o   17.231   7.0875   3.9254   3.0824   9.0586   4.4176  -0.9448   4.3030   22.440   8.7309   13.524   6.5532 8.915668 10.91666 
1 1 1    5   32    9 o   10.862   5.3214  -2.6048   3.0639  -3.9261   4.3864  -1.3459   4.2815   11.989   5.9625   13.016   6.3581 -1.026584 8.716497 
1 1 1    5   32   10 o   12.052   5.7508  -0.2720   3.0308   0.1669   4.2634  -0.7204   4.3092   13.352   6.4824   12.933   6.3309 0.4189510 9.060982 
1 1 1    5   32   11 o   9.7982   4.8712  -3.3287   2.9173   2.6250   4.0213  -9.9439   4.2387   14.202   6.7329   9.5097   4.8550 4.692644 8.300741 
1 1 1    5   32   12 o   9.9950   4.9252  -2.0766   2.7497  -1.9557   3.8283  -2.2054   3.9520   11.261   5.5954   11.264   5.6111 -0.2434731E-02 7.924250 
1 1 1    5   32   13 o   17.691   6.9868   5.8386   2.8648   0.9787   4.0649   10.634   4.0381   12.495   6.1230   20.729   8.2600 -8.233537 10.28196 
1 1 1    5   33    0 o   20.193   10.396   7.8044   4.2088   7.8044   4.2088   7.8044   4.2088   20.193   10.396   20.193   10.396 0.000000 0.000000 
1 1 1    5   33    1 o   16.229   6.8549   3.3088   2.9975   2.8977   4.2904   3.7007   4.1896   15.837   7.3252   16.489   7.4793 -0.6520586 10.46891 
1 1 1    5   33    2 o   12.882   6.0153   0.2957   3.0011   1.7948   4.2115  -1.2507   4.2775   14.934   7.0217   13.158   6.4119 1.775074 9.508764 
1 1 1    5   33    3 o   20.058   7.3567   5.8874   3.0310   7.2937   4.2683   4.4569   4.3048   19.834   8.2655   16.907   7.6336 2.927441 11.25123 
1 1 1    5   33    4 o   12.903   5.9998   0.5991   2.9370  -1.5123   4.0728   2.8868   4.2394   12.632   6.1775   15.430   7.1864 -2.797746 9.476564 
1 1 1    5   33    5 o   12.492   5.8762   0.2954   2.9556   1.3825   4.1147  -0.8631   4.2480   14.092   6.7176   12.915   6.3142 1.177234 9.219235 
1 1 1    5   33    6 o   10.500   5.1522  -2.2561   2.9078  -4.5434   4.0564   0.1617   4.1705   10.983   5.5035   13.135   6.3848 -2.151807 8.429356 
1 1 1    5   33    7 o   10.758   5.2474  -1.4775   2.8854  -7.1640   4.0025   4.6754   4.1634   9.9188   5.0296   15.677   7.2387 -5.758183 8.814505 
1 1 1    5   33    8 o   11.905   5.6744   0.3981   2.9348  -0.1719   4.1051   0.9939   4.1973   12.361   6.0767   12.974   6.3284 -0.6127481 8.773571 
1 1 1    5   33    9 o   12.751   5.9513   1.7443   2.9321  -0.4910   4.2019   3.8659   4.0936   11.999   5.9446   14.281   6.7770 -2.282604 9.014781 
1 1 1    5   33   10 o   11.237   5.4175   0.0995   2.8502  -0.9732   4.0449   1.1575   4.0169   11.521   5.7288   12.464   6.1035 -0.9436817 8.370947 
1 1 1    5   34    0 o   8.8862   6.3563  -2.0372   4.0644  -2.0372   4.0644  -2.0372   4.0644   8.8862   6.3563   8.8862   6.3563 0.000000 0.000000 
1 1 1    5   34    1 o   12.299   5.8145   1.1021   2.9600  -0.7350   4.1267   3.0486   4.2479   11.930   5.9069   13.855   6.6628 -1.924939 8.904201 
1 1 1    5   34    2 o   9.3369   4.6796  -3.8932   2.9408  -0.8290   4.1122  -7.1008   4.2073   11.829   5.8641   9.8765   5.0231 1.952503 7.721352 
1 1 1    5   34    3 o   9.3974   4.7054  -3.6563   2.9404  -3.6635   4.1634  -3.6491   4.1534   10.758   5.4157   10.755   5.4132 0.3778458E-02 7.657146 
1 1 1    5   34    4 o   11.972   5.6994   0.9725   2.9423  -2.5863   4.1634   4.5232   4.1587   11.036   5.5364   14.448   6.8486 -3.411851 8.806597 
1 1 1    5   34    5 o   13.708   6.2378   3.0576   2.9434   5.4501   4.1665   0.6740   4.1588   14.915   7.0040   12.219   6.0278 2.696832 9.240704 
1 1 1    6    0    0 o  239.721   3.7190  451.279   13.983  451.279   13.983  451.279   13.983  239.721   3.7190  239.721   3.7190 0.000000 0.000000 
1 1 1    6    0    1 o  1103.60   5.8576  9562.28  101.441  9562.28  101.441  9562.28  101.441  1103.60   5.8576  1103.60   5.8576 0.000000 0.000000 
1 1 1    6    0    2 o   84.347   2.3599   55.960   3.1182   55.960   3.1182   55.960   3.1182   84.347   2.3599   84.347   2.3599 0.000000 0.000000 
1 1 1    6    0    3 o  484.123   3.2872  1839.61   24.971  1839.61   24.971  1839.61   24.971  484.123   3.2872  484.123   3.2872 0.000000 0.000000 
1 1 1    6    0    4 o  464.902   2.7572  1696.31   20.114  1696.31   20.114  1696.31   20.114  464.902   2.7572  464.902   2.7572 0.000000 0.000000 
1 1 1    6    0    5 o   38.898   2.3704   12.005   1.4345   12.005   1.4345   12.005   1.4345   38.898   2.3704   38.898   2.3704 0.000000 0.000000 
1 1 1    6    0    6 o  118.858   2.3196  110.990   4.3229  110.990   4.3229  110.990   4.3229  118.858   2.3196  118.858   2.3196 0.000000 0.000000 
1 1 1    6    0    7 o  255.251   1.9215  511.361   7.6958  511.361   7.6958  511.361   7.6958  255.251   1.9215  255.251   1.9215 0.000000 0.000000 
1 1 1    6    0    8 o  387.164   2.8084  1176.59   17.061  1176.59   17.061  1176.59   17.061  387.164   2.8084  387.164   2.8084 0.000000 0.000000 
1 1 1    6    0    9 o  737.073   4.6610  4265.57   53.909  4265.57   53.909  4265.57   53.909  737.073   4.6610  737.073   4.6610 0.000000 0.000000 
1 1 1    6    0   10 o   83.554   2.0760   54.885   2.7183   54.885   2.7183   54.885   2.7183   83.554   2.0760   83.554   2.0760 0.000000 0.000000 
1 1 1    6    0   11 o   88.701   2.5864   61.899   3.5933   61.899   3.5933   61.899   3.5933   88.701   2.5864   88.701   2.5864 0.000000 0.000000 
1 1 1    6    0   12 o  250.084   2.2206  490.889   8.7133  490.889   8.7133  490.889   8.7133  250.084   2.2206  250.084   2.2206 0.000000 0.000000 
1 1 1    6    0   13 o  363.288   3.2976  1036.01   18.796  1036.01   18.796  1036.01   18.796  363.288   3.2976  363.288   3.2976 0.000000 0.000000 
1 1 1    6    0   14 o   38.066   4.3562   11.813   2.5141   11.813   2.5141   11.813   2.5141   38.066   4.3562   38.066   4.3562 0.000000 0.000000 
1 1 1    6    0   15 f  451.466   3.4232  1600.01   24.250  1600.01   24.250  1600.01   24.250  451.466   3.4232  451.466   3.4232 0.000000 0.000000 
1 1 1    6    0   16 o  175.743   2.0247  242.476   5.5825  242.476   5.5825  242.476   5.5825  175.743   2.0247  175.743   2.0247 0.000000 0.000000 
1 1 1    6    0   17 o   91.800   1.8486   66.217   2.6607   66.217   2.6607   66.217   2.6607   91.800   1.8486   91.800   1.8486 0.000000 0.000000 
1 1 1    6    0   18 o  121.030   1.7391  115.040   3.3017  115.040   3.3017  115.040   3.3017  121.030   1.7391  121.030   1.7391 0.000000 0.000000 
1 1 1    6    0   19 o   48.368   2.4729   18.514   1.8658   18.514   1.8658   18.514   1.8658   48.368   2.4729   48.368   2.4729 0.000000 0.000000 
1 1 1    6    0   20 f  115.562   1.7098  104.903   3.0992  104.903   3.0992  104.903   3.0992  115.562   1.7098  115.562   1.7098 0.000000 0.000000 
1 1 1    6    0   21 o  333.727   2.2114  874.870   11.580  874.870   11.580  874.870   11.580  333.727   2.2114  333.727   2.2114 0.000000 0.000000 
1 1 1    6    0   22 o   14.248   7.1388   2.3715   1.9542   2.3715   1.9542   2.3715   1.9542   14.248   7.1388   14.248   7.1388 0.000000 0.000000 
1 1 1    6    0   23 o   95.855   1.7010   72.228   2.5569   72.228   2.5569   72.228   2.5569   95.855   1.7010   95.855   1.7010 0.000000 0.000000 
1 1 1    6    0   24 f   28.378   3.9680   6.7152   1.6682   6.7152   1.6682   6.7152   1.6682   28.378   3.9680   28.378   3.9680 0.000000 0.000000 
1 1 1    6    0   25 o   30.356   6.7065   8.3350   2.7941   8.3350   2.7941   8.3350   2.7941   30.356   6.7065   30.356   6.7065 0.000000 0.000000 
1 1 1    6    0   26 o   11.417   7.2103   0.5636   2.7525   0.5636   2.7525   0.5636   2.7525   11.417   7.2103   11.417   7.2103 0.000000 0.000000 
1 1 1    6    0   27 o   11.081   7.0560   0.4213   2.6997   0.4213   2.6997   0.4213   2.6997   11.081   7.0560   11.081   7.0560 0.000000 0.000000 
1 1 1    6    0   28 o   9.6569   6.5687  -1.4408   3.0322  -1.4408   3.0322  -1.4408   3.0322   9.6569   6.5687   9.6569   6.5687 0.000000 0.000000 
1 1 1    6    0   29 f   11.148   7.5244  -1.2177   3.8275  -1.2177   3.8275  -1.2177   3.8275   11.148   7.5244   11.148   7.5244 0.000000 0.000000 
1 1 1    6    0   30 o   7.1079   5.1966  -8.1634   3.5871  -8.1634   3.5871  -8.1634   3.5871   7.1079   5.1966   7.1079   5.1966 0.000000 0.000000 
1 1 1    6    0   31 o   39.932   5.4577   14.000   3.2392   14.000   3.2392   14.000   3.2392   39.932   5.4577   39.932   5.4577 0.000000 0.000000 
1 1 1    6    0   32 o   7.0851   5.0317  -2.7160   2.3798  -2.7160   2.3798  -2.7160   2.3798   7.0851   5.0317   7.0851   5.0317 0.000000 0.000000 
1 1 1    6    0   33 o   7.8202   5.4440  -1.5983   2.3880  -1.5983   2.3880  -1.5983   2.3880   7.8202   5.4440   7.8202   5.4440 0.000000 0.000000 
1 1 1    6    0   34 o   9.8735   6.3606   0.7988   2.2744   0.7988   2.2744   0.7988   2.2744   9.8735   6.3606   9.8735   6.3606 0.000000 0.000000 
1 1 1    6    1    0 o  498.569   2.9103  1950.86   22.769  1950.86   22.769  1950.86   22.769  498.569   2.9103  498.569   2.9103 0.000000 0.000000 
1 1 1    6    1    1 o  745.376   2.8827  4360.51   33.719  4382.40   47.941  4339.09   47.436  747.148   4.0888  743.450   4.0658 3.698730 5.766200 
1 1 1    6    1    2 o  285.449   1.4260  639.386   6.3879  648.267   9.1201  630.834   8.9498  287.416   2.0220  283.525   2.0115 3.890594 2.852125 
1 1 1    6    1    3 o  450.573   1.9040  1593.17   13.463  1609.33   19.217  1577.58   18.866  452.826   2.7043  448.338   2.6814 4.487915 3.808346 
1 1 1    6    1    4 o  304.263   1.4769  726.456   7.0518  721.130   9.9214  731.894   10.025  303.133   2.0856  305.387   2.0918 -2.253754 2.953895 
1 1 1    6    1    5 o  206.699   1.5785  335.274   5.1203  331.745   8.0512  337.671   6.6350  205.592   2.4954  207.429   2.0383 -1.837051 3.222080 
1 1 1    6    1    6 o  407.628   1.7730  1303.99   11.342  1299.20   15.993  1308.83   16.086  406.847   2.5049  408.351   2.5102 -1.503937 3.546241 
1 1 1    6    1    7 o  456.057   1.9882  1632.34   14.230  1627.89   19.429  1637.48   20.898  455.393   2.7187  456.719   2.9158 -1.326233 3.986619 
1 1 1    6    1    8 o   32.921   2.2306   8.5452   1.1456   7.9966   1.6192   9.0949   1.6210   31.744   3.2985   33.897   3.0808 -2.153475 4.513455 
1 1 1    6    1    9 o  272.274   1.6143  581.758   6.8974  568.319   9.6087  596.044   9.9071  269.094   2.2754  275.579   2.2908 -6.485138 3.228814 
1 1 1    6    1   10 o   54.623   1.7806   23.439   1.5243   22.791   2.1314   24.117   2.1808   53.828   2.5302   55.377   2.5160 -1.548439 3.568277 
1 1 1    6    1   11 f  140.853   1.6895  155.686   3.7345  159.053   4.7450  150.205   6.0538  142.364   2.1239  138.340   2.7885 4.024170 3.505236 
1 1 1    6    1   12 o  399.371   2.2169  1251.68   13.894  1245.36   19.559  1258.12   19.740  398.332   3.1290  400.366   3.1418 -2.034058 4.434078 
1 1 1    6    1   13 o  261.126   1.6710  535.079   6.8476  529.482   9.1999  542.031   10.253  259.747   2.2570  262.802   2.4862 -3.055115 3.357837 
1 1 1    6    1   14 o   53.160   2.0442   22.211   1.7022   21.528   2.4759   22.823   2.3441   52.281   3.0307   53.852   2.7832 -1.570297 4.114747 
1 1 1    6    1   15 o  203.835   1.7088  326.058   5.4659  335.129   8.3428  319.237   7.2350  206.632   2.5728  201.680   2.2860 4.952011 3.441655 
1 1 1    6    1   16 o  123.196   1.3991  119.104   2.7050  123.748   4.2136  115.849   3.5279  125.563   2.1384  121.494   1.8504 4.068336 2.827795 
1 1 1    6    1   17 o  287.226   1.6038  647.511   7.2291  639.755   10.588  654.282   9.8941  285.454   2.3637  288.690   2.1839 -3.235626 3.218129 
1 1 1    6    1   18 o   76.440   1.4791   45.866   1.7743   47.926   2.5880   44.038   2.4374   78.094   2.1137   74.859   2.0768 3.235580 2.963215 
1 1 1    6    1   19 o   84.692   1.3236   56.306   1.7592   58.868   2.5156   53.853   2.4609   86.580   1.8515   82.809   1.8937 3.771461 2.648418 
1 1 1    6    1   20 o  125.124   1.2122  122.903   2.3803  123.739   3.3780  122.078   3.3548  125.521   1.7149  124.675   1.7147 0.8455200 2.425052 
1 1 1    6    1   21 o   46.494   1.7842   17.008   1.2994   15.895   1.8614   18.067   1.8148   44.866   2.6555   47.867   2.4238 -3.001091 3.595362 
1 1 1    6    1   22 o  141.982   1.5149  158.362   3.3754  159.097   5.0257  157.758   4.5559  142.211   2.2519  141.643   2.0496 0.5683746 3.045002 
1 1 1    6    1   23 f   50.982   1.5393   20.443   1.2301   19.388   1.7670   21.434   1.7135   49.577   2.2773   52.152   2.0979 -2.575504 3.096324 
1 1 1    6    1   24 o   57.982   1.7635   26.470   1.6027   28.639   2.2322   24.163   2.3027   60.232   2.3662   55.271   2.6626 4.961044 3.562076 
1 1 1    6    1   25 f   12.770   4.3857   1.1989   1.0614   1.0067   1.4392   1.4280   1.5715   13.186   5.0213   14.564   5.3042 -1.377612 7.304029 
1 1 1    6    1   26 f   67.251   2.3580   35.800   2.4847   39.001   3.6513   33.039   3.3909   69.895   3.3385   64.308   3.3718 5.586998 4.745005 
1 1 1    6    1   27 o   58.786   2.9861   27.591   2.7458   29.039   3.9484   26.234   3.8211   59.803   4.2345   56.789   4.3201 3.014694 6.049288 
1 1 1    6    1   28 o   12.901   5.6604  -0.2746   2.1990  -0.1840   3.1640  -0.3592   3.0584   15.491   6.7934   15.044   6.6351 0.4474640 9.496086 
1 1 1    6    1   29 o   15.864   6.4218   1.2982   2.4817   6.3710   3.9721  -1.9496   3.1783   25.978   8.4781   13.560   6.2834 12.41799 10.55269 
1 1 1    6    1   30 o   32.808   4.0344   9.0485   2.0335   9.7810   2.8792   8.3195   2.8723   33.065   5.7578   30.090   6.2859 2.975636 8.524353 
1 1 1    6    1   31 o   10.792   5.0315  -1.3317   2.0866  -2.2265   2.9414  -0.4253   2.9604   12.195   5.7746   13.873   6.2905 -1.677754 8.539098 
1 1 1    6    1   32 o   20.831   6.0364   4.2860   2.0871   1.5516   2.9046   7.2043   3.0008   15.783   6.7107   26.111   7.1259 -10.32798 9.788354 
1 1 1    6    1   33 o   21.278   5.1918   4.3492   1.7180   1.7483   2.3832   7.1636   2.4790   15.091   6.2222   26.662   6.0625 -11.57085 8.687320 
1 1 1    6    1   34 o   12.973   5.4129   1.2984   1.8339  -0.0415   2.5484   2.7374   2.6410   12.264   5.6631   15.858   6.5454 -3.593761 8.655215 
1 1 1    6    2    0 o  502.173   2.9265  1979.19   23.061  1979.19   23.061  1979.19   23.061  502.173   2.9265  502.173   2.9265 0.000000 0.000000 
1 1 1    6    2    1 o  408.523   1.7759  1309.65   11.385  1323.32   16.241  1296.43   15.965  410.629   2.5203  406.437   2.5031 4.191925 3.552075 
1 1 1    6    2    2 f  273.302   1.5506  586.131   6.6503  582.473   9.0275  590.473   9.8340  272.438   2.1115  274.299   2.2845 -1.861084 3.110888 
1 1 1    6    2    3 o  660.165   2.5923  3420.45   26.856  3435.03   38.145  3406.13   37.818  661.491   3.6745  658.704   3.6585 2.786865 5.185226 
1 1 1    6    2    4 o  449.223   1.9019  1583.66   13.408  1592.68   19.056  1574.83   18.869  450.468   2.6956  447.937   2.6842 2.530670 3.804117 
1 1 1    6    2    5 o  174.973   1.5203  240.249   4.1744  240.473   5.8885  240.023   5.9187  175.045   2.1436  174.881   2.1566 0.1639862 3.040751 
1 1 1    6    2    6 f  165.085   1.2765  213.861   3.3071  206.584   4.6101  221.575   4.7468  162.246   1.8106  168.030   1.8002 -5.783844 2.553212 
1 1 1    6    2    7 o  144.898   1.3665  164.759   3.1072  167.705   4.0768  160.675   4.7996  146.183   1.7771  143.080   2.1376 3.102356 2.779807 
1 1 1    6    2    8 o  486.023   2.3313  1854.03   17.781  1838.68   24.952  1869.86   25.345  483.938   3.2855  488.022   3.3094 -4.084076 4.663353 
1 1 1    6    2    9 o  339.211   1.8981  903.006   10.104  920.943   15.188  888.766   13.533  342.529   2.8255  336.503   2.5627 6.025970 3.814599 
1 1 1    6    2   10 o  329.987   1.7922  854.522   9.2811  850.173   13.060  858.959   13.192  329.126   2.5285  330.822   2.5411 -1.696014 3.584757 
1 1 1    6    2   11 o  372.654   1.7914  1089.77   10.476  1111.15   15.031  1069.56   14.609  376.273   2.5455  369.165   2.5217 7.107513 3.583116 
1 1 1    6    2   12 o  272.810   1.7930  584.036   7.6762  587.445   10.860  580.632   10.851  273.592   2.5295  272.000   2.5422 1.591248 3.586232 
1 1 1    6    2   13 o  594.551   2.7438  2774.38   25.601  2771.05   36.144  2777.73   36.266  594.118   3.8767  594.833   3.8851 -0.7156372 5.488394 
1 1 1    6    2   14 o   78.693   1.6374   48.596   2.0221   47.256   2.8348   49.984   2.8851   77.560   2.3317   79.771   2.3071 -2.210182 3.280160 
1 1 1    6    2   15 o  123.710   1.4435  120.097   2.8025  120.980   3.9407  119.193   3.9863  124.158   2.0225  123.237   2.0612 0.9210052 2.887763 
1 1 1    6    2   16 o  157.810   1.2708  195.433   3.1472  195.980   4.5899  194.947   4.3237  158.021   1.8509  157.606   1.7481 0.4151306 2.545935 
1 1 1    6    2   17 o  156.740   1.2673  192.803   3.1172  190.917   4.5235  194.509   4.3015  155.955   1.8483  157.419   1.7412 -1.463516 2.539319 
1 1 1    6    2   18 o  242.670   1.4911  462.262   5.6785  453.045   7.6966  473.271   8.4122  240.196   2.0419  245.486   2.1836 -5.289597 2.989548 
1 1 1    6    2   19 o  140.647   1.3431  155.287   2.9644  150.776   4.3744  159.117   4.0313  138.550   2.0119  142.345   1.8046 -3.794724 2.702669 
1 1 1    6    2   20 o  122.424   1.3023  117.664   2.5020  116.304   3.5918  118.946   3.4871  121.678   1.8810  123.058   1.8057 -1.379494 2.607455 
1 1 1    6    2   21 o  163.403   1.3072  209.655   3.3521  209.372   4.7888  209.926   4.6938  163.233   1.8694  163.454   1.8299 -0.2208405 2.615954 
1 1 1    6    2   22 o   55.257   1.9865   24.038   1.7198   24.408   2.3587   23.618   2.5131   55.602   2.7113   54.664   2.9403 0.9385757 3.999593 
1 1 1    6    2   23 o   87.359   1.5276   59.970   2.0942   63.064   3.3179   57.921   2.7000   89.461   2.3654   85.808   2.0051 3.653381 3.100857 
1 1 1    6    2   24 o   15.838   4.8812   2.0082   1.3330   1.3133   1.8246   2.8036   1.9522   14.932   5.6614   18.732   5.9276 -3.799685 8.196867 
1 1 1    6    2   25 o   74.198   1.6765   43.330   1.9521   46.479   2.8506   40.549   2.6787   76.694   2.3713   71.627   2.3865 5.067619 3.364269 
1 1 1    6    2   26 o   25.305   3.4748   5.1983   1.3435   4.9244   1.8200   5.5262   1.9914   24.236   4.9527   25.661   5.1248 -1.424376 7.126854 
1 1 1    6    2   27 o   42.341   3.8950   14.541   2.5591   17.675   3.6200   11.409   3.6181   46.221   5.0740   36.369   6.5816 9.852478 8.310447 
1 1 1    6    2   28 o   33.352   4.7739   9.2914   2.4275   4.3412   3.5680   13.557   3.3121   22.722   8.0260   40.090   5.4020 -17.36803 9.674641 
1 1 1    6    2   29 o   21.204   6.0881   3.9826   2.1321   4.7731   2.8372   2.9569   3.2318   22.958   7.1291   19.740   7.5228 3.217512 10.36422 
1 1 1    6    2   30 o   9.0658   4.3728  -2.5362   1.8619  -2.9746   2.6550  -2.1120   2.6118   11.118   5.3260   11.708   5.5125 -0.5894480 7.665112 
1 1 1    6    2   31 o   12.993   5.4019   0.7894   1.8169  -0.1773   2.5847   1.7338   2.5546   13.337   5.9773   15.925   6.4899 -2.587730 8.823091 
1 1 1    6    2   32 o   15.832   5.6538   2.2590   1.7749   3.4079   2.5456   1.1722   2.4760   18.556   6.7520   14.630   6.2072 3.925495 9.171611 
1 1 1    6    2   33 o   11.020   4.9939  -0.3240   1.8625  -1.4749   2.6148   0.8613   2.6536   11.626   5.4870   14.152   6.2133 -2.525287 8.289243 
1 1 1    6    2   34 o   11.671   5.2030   0.3926   1.9312   4.4778   2.9119  -2.8153   2.5804   18.502   7.1182   10.073   4.9240 8.428687 8.655290 
1 1 1    6    3    0 o  216.092   1.8012  366.495   6.1070  366.495   6.1070  366.495   6.1070  216.092   1.8012  216.092   1.8012 0.000000 0.000000 
1 1 1    6    3    1 o  249.223   1.3437  487.395   5.2552  491.265   7.4698  483.602   7.3947  250.203   1.9024  248.244   1.8982 1.958801 2.687433 
1 1 1    6    3    2 o   79.746   1.2356   49.902   1.5463   52.370   2.2058   47.519   2.1683   81.692   1.7206   77.816   1.7756 3.875679 2.472454 
1 1 1    6    3    3 o  271.900   1.4965  580.140   6.3855  574.110   8.9717  586.331   9.0903  270.472   2.1137  273.336   2.1192 -2.863525 2.993131 
1 1 1    6    3    4 o  305.808   1.7954  733.893   8.6163  734.596   11.662  733.049   12.786  305.937   2.4290  305.607   2.6661 0.3299561 3.606661 
1 1 1    6    3    5 o  342.504   1.8301  920.618   9.8367  913.797   13.846  927.570   13.978  341.205   2.5858  343.767   2.5910 -2.561493 3.660511 
1 1 1    6    3    6 o  336.884   2.2230  890.741   11.753  890.447   19.200  890.917   14.862  336.754   3.6331  336.890   2.8112 -0.1363525 4.593732 
1 1 1    6    3    7 o  228.053   1.9910  408.171   7.1254  405.656   10.826  410.092   9.4642  227.316   3.0349  228.570   2.6385 -1.253632 4.021501 
1 1 1    6    3    8 o  126.575   1.2935  125.722   2.5694  130.409   3.6630  121.182   3.6050  128.908   1.8107  124.263   1.8487 4.644463 2.587710 
1 1 1    6    3    9 o  413.923   2.2713  1344.67   14.754  1370.39   21.188  1320.46   20.557  417.815   3.2314  410.134   3.1939 7.680084 4.543434 
1 1 1    6    3   10 o  405.434   1.8984  1289.96   12.078  1294.56   17.118  1285.39   17.045  406.131   2.6858  404.690   2.6839 1.441071 3.796976 
1 1 1    6    3   11 o  220.158   1.4022  380.340   4.8445  382.306   6.8489  378.372   6.8534  220.719   1.9773  219.581   1.9889 1.138580 2.804513 
1 1 1    6    3   12 o  549.088   2.3817  2366.12   20.523  2368.77   29.037  2363.47   29.010  549.348   3.3682  548.733   3.3689 0.6144409 4.763808 
1 1 1    6    3   13 o   57.540   1.8250   26.008   1.6459   26.572   2.3958   25.504   2.2649   58.126   2.6333   56.948   2.5407 1.177723 3.659173 
1 1 1    6    3   14 o   66.402   1.7181   34.625   1.7888   36.317   2.5608   33.013   2.4998   67.981   2.4042   64.808   2.4624 3.172478 3.441457 
1 1 1    6    3   15 o  174.979   1.3539  240.265   3.7177  246.835   5.3084  233.941   5.2082  177.347   1.9073  172.652   1.9223 4.694702 2.707957 
1 1 1    6    3   16 o  250.000   1.4717  490.489   5.7737  491.254   8.1622  489.722   8.1682  250.174   2.0790  249.783   2.0838 0.3905334 2.943561 
1 1 1    6    3   17 o  258.582   1.3901  524.780   5.6408  525.723   7.9746  523.837   7.9799  258.784   1.9637  258.319   1.9685 0.4649353 2.780455 
1 1 1    6    3   18 o  134.530   1.2834  142.055   2.7094  138.341   3.9632  145.313   3.7125  132.734   1.9026  136.046   1.7389 -3.311295 2.577533 
1 1 1    6    3   19 o  111.149   1.2591   96.977   2.1962   96.140   3.1015   97.819   3.1103  110.645   1.7862  111.608   1.7758 -0.9628296 2.518740 
1 1 1    6    3   20 o   88.937   1.3896   62.104   1.9394   62.315   2.7857   61.905   2.7018   89.058   1.9932   88.767   1.9395 0.2906723 2.781110 
1 1 1    6    3   21 o   59.008   1.6121   27.372   1.4914   24.846   2.1604   29.673   2.0615   56.145   2.4579   61.398   2.1429 -5.252121 3.260861 
1 1 1    6    3   22 o   32.627   2.6358   8.4375   1.3381   6.7363   2.1875   9.4546   1.6915   28.704   5.0401   34.479   3.1612 -5.775341 5.949421 
1 1 1    6    3   23 o  114.299   1.5742  102.674   2.8236  101.884   4.3947  103.229   3.6849  113.727   2.4624  114.544   2.0500 -0.8165741 3.204031 
1 1 1    6    3   24 o   82.184   1.8322   53.148   2.3630   54.867   3.3972   51.537   3.2891   83.342   2.6007   80.771   2.5982 2.570824 3.676177 
1 1 1    6    3   25 o   18.428   4.9026   2.8324   1.4424   3.5178   2.0281   2.1308   2.0520   20.527   5.9511   17.146   6.0838 3.381226 8.510457 
1 1 1    6    3   26 o   48.038   2.2696   18.279   1.7061   20.306   2.5304   16.590   2.3103   50.405   3.2157   45.530   3.2548 4.874851 4.575449 
1 1 1    6    3   27 o  104.103   1.7944   85.509   2.9315   87.672   4.0238   83.063   4.2794  105.166   2.4381  102.227   2.6698 2.938835 3.615588 
1 1 1    6    3   28 o   14.843   4.7873   1.7826   1.2686   2.0525   1.7159   1.4572   1.8841   16.184   5.5757   15.075   5.7443 1.108691 8.005279 
1 1 1    6    3   29 o   23.920   5.7444   5.0566   2.1291   6.3055   2.8725   3.5338   3.1719   26.249   6.8880   20.629   7.5322 5.620661 10.20681 
1 1 1    6    3   30 o   40.437   3.3333   13.448   2.0965   7.8246   2.9470   19.209   2.9830   28.812   6.6524   47.908   4.0043 -19.09643 7.764565 
1 1 1    6    3   31 o   15.033   5.6976   1.7893   1.8475   1.9340   2.6369   1.6498   2.5894   16.319   6.6145   15.805   6.4979 0.5144672 9.272280 
1 1 1    6    3   32 o   11.809   5.1425   0.2477   1.7857   0.0560   2.5403   0.4351   2.5107   13.254   5.9340   13.663   6.0195 -0.4084644 8.452567 
1 1 1    6    3   33 o   10.418   4.7133  -0.3185   1.6507  -0.1001   2.3451  -0.5329   2.3240   12.390   5.6103   11.857   5.4508 0.5324268 7.822195 
1 1 1    6    3   34 o   9.2940   4.4360  -1.3788   1.8064  -3.7464   2.4741   1.3243   2.6435   9.2599   4.5830   13.809   6.1257 -4.548656 7.650352 
1 1 1    6    4    0 o  184.648   3.4995  267.875   10.132  267.875   10.132  267.875   10.132  184.648   3.4995  184.648   3.4995 0.000000 0.000000 
1 1 1    6    4    1 o  372.687   2.1214  1090.03   12.407  1071.45   17.301  1109.70   17.802  369.466   2.9839  376.002   3.0170 -6.535583 4.243323 
1 1 1    6    4    2 o  315.392   1.9196  780.625   9.5009  796.196   13.628  765.898   13.253  318.499   2.7265  312.381   2.7035 6.118103 3.839580 
1 1 1    6    4    3 o  430.664   2.3397  1455.64   15.813  1438.34   22.117  1473.73   22.617  428.048   3.2925  433.281   3.3263 -5.233124 4.680274 
1 1 1    6    4    4 o  443.688   2.1841  1545.01   15.207  1540.38   21.439  1549.69   21.574  442.974   3.0840  444.310   3.0942 -1.336121 4.368625 
1 1 1    6    4    5 o  213.089   1.3766  356.321   4.6035  359.964   6.5425  352.749   6.4785  214.165   1.9467  212.008   1.9472 2.157455 2.753390 
1 1 1    6    4    6 o  205.504   1.3660  331.408   4.4052  340.071   6.3032  323.136   6.1591  208.162   1.9295  202.912   1.9342 5.249481 2.732080 
1 1 1    6    4    7 o  269.028   1.7844  567.997   7.5335  575.779   10.756  560.503   10.555  270.841   2.5306  267.224   2.5170 3.616425 3.569185 
1 1 1    6    4    8 o  235.070   1.3853  433.624   5.1104  436.770   7.4857  430.878   6.9937  235.909   2.0220  234.315   1.9020 1.593857 2.775954 
1 1 1    6    4    9 o  411.352   2.0721  1327.94   13.376  1330.10   18.938  1325.80   18.894  411.649   2.9316  410.983   2.9295 0.6668091 4.144485 
1 1 1    6    4   10 o  477.437   2.0017  1788.83   14.998  1796.99   21.293  1780.80   21.128  478.492   2.8357  476.332   2.8265 2.160126 4.003753 
1 1 1    6    4   11 o  531.782   2.1766  2219.25   18.165  2217.31   25.668  2221.21   25.710  531.510   3.0773  531.977   3.0796 -0.4669189 4.353569 
1 1 1    6    4   12 o  526.176   2.1594  2172.72   17.830  2182.24   25.317  2163.35   25.117  527.288   3.0595  525.002   3.0485 2.285889 4.319070 
1 1 1    6    4   13 o  568.249   2.2957  2534.20   20.472  2546.95   29.098  2521.70   28.809  569.619   3.2551  566.790   3.2389 2.828857 4.591986 
1 1 1    6    4   14 o  617.109   2.4581  2988.98   23.805  2990.03   33.672  2987.94   33.658  617.130   3.4768  616.914   3.4766 0.2161255 4.916835 
1 1 1    6    4   15 o  190.263   1.2910  284.071   3.8548  288.181   5.4866  280.065   5.4170  191.625   1.8245  188.908   1.8273 2.717758 2.582208 
1 1 1    6    4   16 o  112.016   1.4069   98.471   2.4732   94.891   3.4875  102.093   3.5079  109.951   2.0212  114.048   1.9600 -4.097435 2.815457 
1 1 1    6    4   17 o  261.909   1.5130  538.407   6.2185  536.811   8.7807  540.013   8.8080  261.480   2.1398  262.258   2.1401 -0.7787170 3.026394 
1 1 1    6    4   18 o  132.405   1.3897  137.614   2.8876  137.556   4.2925  137.662   3.9028  132.345   2.0668  132.406   1.8783 -0.6095886E-01 2.792760 
1 1 1    6    4   19 o  244.140   1.3738  467.928   5.2635  464.715   7.4275  471.170   7.4600  243.238   1.9458  244.922   1.9409 -1.684204 2.748336 
1 1 1    6    4   20 o  146.275   1.2534  167.980   2.8772  172.286   4.1350  163.938   4.0060  148.097   1.7792  144.466   1.7670 3.631531 2.507578 
1 1 1    6    4   21 o  169.845   1.2623  226.512   3.3645  227.545   4.7892  225.505   4.7277  170.171   1.7934  169.408   1.7783 0.7624054 2.525586 
1 1 1    6    4   22 o   96.481   1.3272   73.110   2.0095   74.727   2.9014   71.620   2.7857   97.493   1.8964   95.448   1.8598 2.044670 2.656166 
1 1 1    6    4   23 o   96.790   1.4725   73.615   2.2366   71.369   3.1704   75.840   3.1557   95.227   2.1215   98.175   2.0483 -2.947479 2.948956 
1 1 1    6    4   24 o   75.372   1.8011   44.704   2.1304   47.083   3.0137   42.329   3.0118   77.211   2.4905   73.177   2.6269 4.033577 3.619874 
1 1 1    6    4   25 o   42.192   2.5860   14.128   1.7040   17.508   2.4500   10.962   2.3715   46.814   3.3572   36.782   4.1827 10.03228 5.363401 
1 1 1    6    4   26 o   56.453   2.3107   25.243   2.0428   25.739   2.9159   24.766   2.8627   56.734   3.2891   55.647   3.2928 1.086887 4.654169 
1 1 1    6    4   27 o   43.312   3.1316   15.049   2.1141   13.858   2.9188   16.364   3.0663   41.030   4.6129   44.700   4.4295 -3.669479 6.395258 
1 1 1    6    4   28 o   32.759   3.2185   8.6850   1.6332   9.3600   2.3156   8.0168   2.3039   33.550   4.5125   30.845   4.9253 2.705240 6.679921 
1 1 1    6    4   29 o   14.354   5.0669   1.5799   1.4218   4.3693   1.9714  -1.4443   2.0527   22.228   5.6425   10.872   5.0418 11.35665 7.566852 
1 1 1    6    4   30 o   10.877   4.3600   0.5893   1.1318   1.5112   1.5436  -0.4826   1.6645   14.162   5.2403   10.639   4.7801 3.522454 7.092974 
1 1 1    6    4   31 o   27.246   4.8257   6.6493   1.9878   7.8111   2.8309   5.5193   2.7919   28.201   6.5260   23.200   7.0479 5.001312 9.605293 
1 1 1    6    4   32 o   8.2963   4.0606  -2.8633   1.7715  -3.2851   2.5089  -2.4440   2.5015   10.143   4.9353   10.733   5.1489 -0.5901337 7.132268 
1 1 1    6    4   33 o   14.989   5.5096   2.0850   1.7015   0.9912   2.4110   3.1703   2.4016   13.823   5.9981   17.453   6.5214 -3.629591 8.860333 
1 1 1    6    4   34 o   11.051   5.0124   0.0654   1.8814   3.5338   2.6521  -3.4480   2.6693   16.890   6.7059   9.8113   4.8381 7.078783 8.268961 
1 1 1    6    5    0 o  129.693   1.9948  132.086   4.0577  132.086   4.0577  132.086   4.0577  129.693   1.9948  129.693   1.9948 0.000000 0.000000 
1 1 1    6    5    1 o   27.281   2.9523   5.9102   1.2438   7.1396   1.7988   4.7838   1.7218   29.899   3.9287   24.270   4.6905 5.629307 6.118435 
1 1 1    6    5    2 o  252.712   1.7461  501.175   6.9246  497.477   8.8846  506.898   11.052  251.767   2.2487  254.124   2.7714 -2.357697 3.568951 
1 1 1    6    5    3 o  117.381   1.3244  108.122   2.4396  109.814   3.4523  106.433   3.4480  118.292   1.8597  116.456   1.8867 1.835609 2.649173 
1 1 1    6    5    4 o  251.971   1.7420  498.250   6.8883  511.587   11.013  489.679   8.8286  255.291   2.7489  249.781   2.2523 5.509659 3.553733 
1 1 1    6    5    5 o  442.600   2.0298  1537.44   14.099  1522.82   19.756  1552.62   20.126  440.441   2.8583  444.727   2.8837 -4.285706 4.060306 
1 1 1    6    5    6 o  171.698   1.3382  231.339   3.6058  232.774   5.0997  229.905   5.0990  172.221   1.8869  171.156   1.8984 1.064789 2.676610 
1 1 1    6    5    7 o   85.001   1.6014   56.701   2.1361   61.166   3.3725   53.709   2.7605   88.244   2.4377   82.697   2.1289 5.546524 3.236419 
1 1 1    6    5    8 o   46.285   2.1167   16.848   1.5334   15.136   2.1568   18.598   2.1806   43.797   3.1593   48.591   2.8724 -4.794315 4.269842 
1 1 1    6    5    9 o  133.084   1.6958  138.988   3.5416  136.797   4.2955  143.639   6.2585  132.027   2.0732  135.278   2.9480 -3.250534 3.604054 
1 1 1    6    5   10 o  528.289   2.3185  2190.26   19.222  2171.26   26.947  2209.94   27.426  525.948   3.2649  530.610   3.2936 -4.661438 4.637606 
1 1 1    6    5   11 o   43.878   2.3268   15.152   1.5965   13.978   2.2334   16.378   2.2829   42.062   3.4129   45.567   3.2131 -3.505199 4.687420 
1 1 1    6    5   12 o  340.520   1.7851  909.929   9.5394  923.209   13.150  895.177   13.859  342.979   2.4432  337.727   2.6150 5.252167 3.578734 
1 1 1    6    5   13 o  293.097   1.5947  674.135   7.3350  676.286   10.398  672.005   10.349  293.549   2.2571  292.618   2.2537 0.9303894 3.189578 
1 1 1    6    5   14 o  309.536   1.6408  751.894   7.9705  746.144   11.216  757.761   11.329  308.331   2.3180  310.722   2.3233 -2.390747 3.281896 
1 1 1    6    5   15 o   64.973   1.8204   33.157   1.8543   34.835   2.6658   31.584   2.5809   66.566   2.5567   63.377   2.6005 3.189205 3.646829 
1 1 1    6    5   16 o  214.191   1.4261  360.051   4.7937  365.176   6.8272  355.067   6.7323  215.688   2.0170  212.682   2.0171 3.006088 2.852547 
1 1 1    6    5   17 o  124.576   1.3880  121.807   2.7136  119.608   3.8343  124.014   3.8408  123.427   1.9796  125.681   1.9474 -2.253815 2.776853 
1 1 1    6    5   18 o  194.571   1.5274  297.210   4.6638  305.828   6.6919  289.071   6.5034  197.319   2.1611  191.837   2.1602 5.482040 3.055643 
1 1 1    6    5   19 o  107.063   1.5953   90.008   2.6804   86.672   3.8060   93.290   3.7755  105.018   2.3094  108.962   2.2080 -3.943214 3.195084 
1 1 1    6    5   20 o   42.303   2.3102   14.111   1.5278   15.223   2.2560   13.169   2.0765   43.836   3.3038   40.756   3.2741 3.079266 4.651333 
1 1 1    6    5   21 o   92.438   1.4446   67.112   2.0956   66.708   2.9218   67.540   3.0074   92.116   2.0212   92.685   2.0677 -0.5687256 2.891455 
1 1 1    6    5   22 o   55.392   1.7910   24.144   1.5548   23.514   2.2879   24.685   2.1193   54.566   2.6801   55.943   2.4197 -1.377468 3.610772 
1 1 1    6    5   23 o   65.244   1.6898   33.491   1.7287   33.762   2.3703   33.183   2.5265   65.430   2.3121   64.841   2.4876 0.5897064 3.396157 
1 1 1    6    5   24 o  105.840   1.4159   88.064   2.3517   89.496   3.8410   87.205   2.9743  106.533   2.2975  105.262   1.8005 1.271423 2.918985 
1 1 1    6    5   25 o   35.318   3.0857   9.9740   1.6931   10.317   2.4312   9.6508   2.3591   35.576   4.4519   34.383   4.4785 1.192379 6.314777 
1 1 1    6    5   26 o   47.079   2.4798   17.602   1.8257   19.082   2.6109   16.186   2.5538   48.763   3.4338   44.822   3.6627 3.941437 5.020597 
1 1 1    6    5   27 o   83.392   2.0403   54.987   2.6701   55.177   4.0266   54.838   3.5672   83.069   3.0942   82.980   2.7432 0.8933258E-01 4.135103 
1 1 1    6    5   28 f   29.403   3.7522   7.0993   1.6920   7.3996   2.5148   6.8508   2.2871   29.254   5.6826   28.263   5.3525 0.9914036 7.806487 
1 1 1    6    5   29 o   23.343   5.3104   4.7827   1.9013   6.3121   2.7373   3.3570   2.6428   26.248   6.6412   19.778   6.9138 6.470034 9.586789 
1 1 1    6    5   30 o   11.902   4.8609   0.6532   1.4370   0.4108   1.9499   0.9413   2.1258   12.816   5.4751   14.101   5.8511 -1.285035 8.013244 
1 1 1    6    5   31 o   9.9255   4.3443  -0.0332   1.2884   0.7639   1.8045  -0.8622   1.8401   12.834   5.3633   10.515   4.8398 2.319263 7.224166 
1 1 1    6    5   32 o   9.5474   4.1172   0.1150   1.1220   1.1106   1.4137  -1.5798   1.8445   12.573   4.9254   9.6371   4.5661 2.935840 6.716282 
1 1 1    6    5   33 o   13.261   5.3803   1.3180   1.7465   0.0618   2.4741   2.5660   2.4659   12.656   5.7434   16.181   6.4526 -3.525259 8.638426 
1 1 1    6    5   34 o   13.046   5.5593   1.3462   2.0011  -0.8931   2.7775   3.7633   2.8857   11.670   5.5507   17.002   6.9091 -5.331217 8.862641 
1 1 1    6    6    0 o  119.360   2.2550  111.922   4.2205  111.922   4.2205  111.922   4.2205  119.360   2.2550  119.360   2.2550 0.000000 0.000000 
1 1 1    6    6    1 o  181.475   1.2645  258.434   3.6013  260.108   5.1067  256.777   5.0795  182.055   1.7874  180.885   1.7894 1.169464 2.529199 
1 1 1    6    6    2 f  330.671   1.5754  858.073   8.1749  868.997   11.685  847.600   11.441  332.747   2.2377  328.625   2.2185 4.121338 3.151057 
1 1 1    6    6    3 o  307.149   1.5164  740.338   7.3092  734.844   10.286  745.942   10.389  305.989   2.1420  308.290   2.1473 -2.301849 3.032986 
1 1 1    6    6    4 o  171.919   1.4692  231.941   3.9638  229.238   5.1715  235.791   6.1716  170.907   1.9282  173.325   2.2690 -2.418686 2.977595 
1 1 1    6    6    5 o  206.226   1.3621  333.740   4.4082  342.043   6.1227  324.804   6.3517  208.766   1.8689  203.435   1.9896 5.331528 2.729664 
1 1 1    6    6    6 o  230.425   1.6410  416.676   5.9340  421.328   8.0932  411.268   8.7265  231.694   2.2259  228.906   2.4293 2.788559 3.294808 
1 1 1    6    6    7 o  293.925   1.6019  677.959   7.3888  678.105   10.456  677.814   10.443  293.939   2.2668  293.876   2.2643 0.6292725E-01 3.203941 
1 1 1    6    6    8 o  343.921   2.0594  928.258   11.115  942.172   15.911  914.995   15.534  346.459   2.9264  341.427   2.8992 5.032471 4.119410 
1 1 1    6    6    9 o  189.722   1.5363  282.455   4.5739  287.983   6.0449  275.050   6.9959  191.564   2.0108  187.208   2.3813 4.356094 3.116692 
1 1 1    6    6   10 o  191.476   1.4176  287.696   4.2596  289.789   6.0234  285.602   6.0245  192.166   1.9974  190.772   2.0123 1.393524 2.835290 
1 1 1    6    6   11 o  414.202   1.8265  1346.32   11.873  1356.39   16.921  1336.55   16.662  415.726   2.5937  412.676   2.5729 3.050659 3.653362 
1 1 1    6    6   12 o  248.726   1.4088  485.456   5.4990  491.493   7.8555  479.656   7.7004  250.258   2.0002  247.227   1.9848 3.031677 2.817836 
1 1 1    6    6   13 o   41.623   2.4590   13.645   1.5990   12.645   2.3148   14.559   2.2115   39.957   3.7348   42.937   3.3076 -2.979847 4.988865 
1 1 1    6    6   14 o  224.142   1.3721  394.246   4.8265  390.840   6.8265  397.650   6.8249  223.161   1.9493  225.097   1.9320 -1.936127 2.744532 
1 1 1    6    6   15 o  168.327   1.3188  222.352   3.4836  225.155   4.9894  219.685   4.8660  169.374   1.8771  167.304   1.8534 2.069626 2.637901 
1 1 1    6    6   16 o  133.266   1.3673  139.382   2.8596  138.128   4.1896  140.477   3.9127  132.648   2.0126  133.776   1.8638 -1.127533 2.743047 
1 1 1    6    6   17 o  103.439   1.3954   83.984   2.2651   84.893   3.2481   83.123   3.1605  103.978   1.9906  102.890   1.9574 1.088707 2.791705 
1 1 1    6    6   18 o  256.661   1.4350  517.152   5.7800  514.981   8.2112  519.284   8.1376  256.055   2.0435  257.126   2.0167 -1.070831 2.871028 
1 1 1    6    6   19 o  127.398   1.3360  127.422   2.6710  128.428   3.8250  126.463   3.7315  127.863   1.9062  126.884   1.8740 0.9795151 2.673142 
1 1 1    6    6   20 o  133.142   1.4468  139.209   3.0228  137.769   4.3409  140.564   4.2119  132.392   2.0893  133.737   2.0069 -1.345062 2.897053 
1 1 1    6    6   21 o   45.354   2.4631   16.236   1.7465   15.167   2.5728   17.150   2.3785   43.649   3.7936   46.513   3.2796 -2.864094 5.014735 
1 1 1    6    6   22 o  118.364   1.3947  110.060   2.5906  110.630   3.8513  109.589   3.5010  118.587   2.0695  118.053   1.8898 0.5342255 2.802476 
1 1 1    6    6   23 o   45.561   2.2054   16.386   1.5721   16.879   2.3042   15.958   2.1505   46.090   3.2057   44.832   3.0752 1.258530 4.442205 
1 1 1    6    6   24 o   56.012   1.9413   24.740   1.7038   20.827   2.4186   28.596   2.4007   51.199   3.0237   60.119   2.5504 -8.920639 3.955629 
1 1 1    6    6   25 o   21.973   3.7336   3.9580   1.2414   3.4044   1.8202   4.4395   1.6975   20.113   5.5742   23.032   4.8499 -2.919704 7.388750 
1 1 1    6    6   26 o   66.113   2.4452   34.671   2.5325   34.017   3.5718   35.332   3.5913   65.116   3.5083   66.385   3.4592 -1.269470 4.926930 
1 1 1    6    6   27 o   36.269   3.3986   10.638   1.9119   10.432   2.7563   10.829   2.6542   35.264   5.1311   36.078   4.8074 -0.8138733 7.031252 
1 1 1    6    6   28 o   16.055   5.6624   1.9958   1.7754   1.0596   2.5834   2.8337   2.4440   15.747   6.4839   18.758   6.6410 -3.011084 9.281433 
1 1 1    6    6   29 o   10.602   4.7660  -0.5620   1.6570  -0.6764   2.3956  -0.4571   2.2943   12.700   5.7179   12.694   5.6643 0.6130219E-02 8.048523 
1 1 1    6    6   30 o   32.179   3.9425   8.7777   1.9494   10.205   2.7914   7.4193   2.7234   33.653   5.4735   27.967   6.3508 5.686615 8.384026 
1 1 1    6    6   31 o   12.151   4.9754   0.7816   1.5103   0.0769   2.0483   1.6211   2.2357   12.281   5.4227   15.089   6.0998 -2.808199 8.161726 
1 1 1    6    6   32 o   8.1157   3.8535  -1.3133   1.3276   0.3814   1.8584  -3.0792   1.8971   12.126   5.2638   8.5157   4.1751 3.610282 6.718539 
1 1 1    6    6   33 o   7.3880   3.5432  -1.3359   1.1827  -0.2597   1.6516  -2.4685   1.6944   10.334   4.6908   8.1605   3.9893 2.173261 6.157741 
1 1 1    6    7    0 o  192.827   1.8455  291.858   5.5835  291.858   5.5835  291.858   5.5835  192.827   1.8455  192.827   1.8455 0.000000 0.000000 
1 1 1    6    7    1 o  143.531   1.4675  161.667   3.3054  164.486   5.1724  159.721   4.2973  144.765   2.2768  142.659   1.9195 2.106140 2.977977 
1 1 1    6    7    2 o  355.012   1.7112  989.086   9.5337  988.515   13.044  989.741   13.969  354.883   2.3422  355.095   2.5067 -0.2119446 3.430665 
1 1 1    6    7    3 o  335.519   1.6063  883.433   8.4577  883.284   11.968  883.582   11.954  335.466   2.2733  335.523   2.2704 -0.5667114E-01 3.212847 
1 1 1    6    7    4 o  185.349   1.3080  269.588   3.8047  280.421   5.4657  259.403   5.2994  189.028   1.8425  181.806   1.8574 7.222061 2.616287 
1 1 1    6    7    5 o  471.001   2.0014  1741.05   14.793  1730.27   20.806  1752.07   21.037  469.492   2.8239  472.440   2.8374 -2.948425 4.003208 
1 1 1    6    7    6 o  467.031   1.9859  1711.79   14.555  1713.82   20.618  1709.77   20.550  467.265   2.8118  466.712   2.8058 0.5524902 3.972207 
1 1 1    6    7    7 o  358.664   1.6733  1009.49   9.4183  1001.13   13.247  1018.03   13.394  357.155   2.3634  360.158   2.3697 -3.002380 3.346848 
1 1 1    6    7    8 o  290.655   1.8998  662.961   8.6657  670.275   11.322  652.617   13.465  292.241   2.4687  288.352   2.9756 3.889404 3.866380 
1 1 1    6    7    9 o  276.635   1.4852  600.512   6.4476  599.660   9.1395  601.355   9.0973  276.429   2.1069  276.820   2.0942 -0.3907471 2.970574 
1 1 1    6    7   10 o  420.718   1.9173  1389.02   12.659  1397.79   17.433  1379.24   18.410  422.023   2.6323  419.207   2.7985 2.815918 3.841953 
1 1 1    6    7   11 o  377.779   1.8567  1119.96   11.007  1121.86   15.598  1118.08   15.536  378.077   2.6289  377.440   2.6229 0.6365967 3.713603 
1 1 1    6    7   12 o  309.526   1.6719  751.837   8.1213  754.060   11.514  749.635   11.456  309.966   2.3671  309.055   2.3622 0.9107361 3.344077 
1 1 1    6    7   13 o  259.741   1.5547  529.429   6.3373  519.722   8.8552  539.619   9.0734  257.334   2.1928  262.213   2.2050 -4.879272 3.109709 
1 1 1    6    7   14 o   57.567   2.0426   26.042   1.8423   28.102   2.6631   24.152   2.5513   59.763   2.8478   55.387   2.9459 4.375240 4.097317 
1 1 1    6    7   15 o  257.390   1.5578  519.941   6.2923  507.187   9.5744  529.638   8.3484  254.175   2.4003  259.758   2.0480 -5.583176 3.155287 
1 1 1    6    7   16 o   79.734   1.7170   49.904   2.1485   53.040   3.0992   47.004   2.9810   82.149   2.4067   77.326   2.4597 4.823051 3.441209 
1 1 1    6    7   17 o   47.761   2.3951   17.966   1.7894   19.945   2.5927   16.164   2.4729   50.252   3.3060   45.194   3.5143 5.057804 4.824933 
1 1 1    6    7   18 o  231.245   1.5018  419.841   5.4498  413.460   7.6808  426.311   7.7339  229.410   2.1335  232.950   2.1156 -3.540512 3.004563 
1 1 1    6    7   19 o  206.777   1.4665  335.737   4.7587  334.289   6.7662  337.155   6.6942  206.252   2.0904  207.139   2.0593 -0.8868256 2.934418 
1 1 1    6    7   20 o   74.577   1.7707   43.699   2.0723   42.960   3.0038   44.371   2.8626   73.840   2.5963   75.064   2.4333 -1.223381 3.558279 
1 1 1    6    7   21 o   99.139   1.4772   77.210   2.2982   77.014   3.3463   77.385   3.1617   98.948   2.1550   99.200   2.0310 -0.2518005 2.961233 
1 1 1    6    7   22 o   44.273   2.6424   15.503   1.8275   14.086   2.7241   16.663   2.4644   41.930   4.1962   45.779   3.4558 -3.849007 5.436059 
1 1 1    6    7   23 o   41.545   2.5667   13.669   1.6652   12.761   2.6393   14.269   2.1463   39.803   4.2932   42.335   3.2556 -2.532082 5.388036 
1 1 1    6    7   24 o   57.254   1.9220   25.853   1.7244   29.818   2.6490   22.938   2.2717   61.331   2.7594   53.789   2.6999 7.541924 3.860490 
1 1 1    6    7   25 o   8.7812   4.0337  -0.8897   1.2694   0.7995   1.8204  -2.4887   1.7711   13.725   5.5197   8.9958   4.3200 4.728908 7.009238 
1 1 1    6    7   26 o   36.952   2.2907   10.849   1.3218   11.685   1.9412   10.127   1.8048   38.113   3.2775   35.463   3.2803 2.649891 4.637022 
1 1 1    6    7   27 o   54.987   2.3754   24.039   2.0449   20.138   2.9310   27.739   2.8544   49.814   3.7775   58.808   3.1040 -8.994194 4.889215 
1 1 1    6    7   28 o   16.162   5.5320   2.0981   1.6883   3.6806   2.4411   0.6470   2.3375   20.536   6.6423   14.506   6.0860 6.029348 9.008833 
1 1 1    6    7   29 o   25.368   4.8718   5.6050   1.8689   4.3457   2.6782   6.8005   2.6093   21.609   6.9544   27.227   6.2407 -5.618145 9.343997 
1 1 1    6    7   30 o   24.046   5.0988   5.2302   1.8643   5.1210   2.6525   5.3367   2.6208   22.710   6.8636   23.229   6.7740 -0.5187149 9.643424 
1 1 1    6    7   31 o   20.195   5.5073   3.8955   1.7931   2.0386   2.5630   5.6758   2.5096   16.131   6.5274   23.637   6.5430 -7.506155 9.242158 
1 1 1    6    7   32 o   19.803   5.1369   3.7450   1.6098   5.5939   2.1744   1.5025   2.3947   23.706   5.8749   14.788   6.1790 8.918042 8.526104 
1 1 1    6    7   33 o   9.9334   4.4819  -0.1513   1.4810  -0.3008   2.0822   0.0019   2.1069   11.222   5.1591   11.630   5.2865 -0.4074621 7.386730 
1 1 1    6    8    0 o  101.035   1.9685   80.198   3.1184   80.198   3.1184   80.198   3.1184  101.035   1.9685  101.035   1.9685 0.000000 0.000000 
1 1 1    6    8    1 o  147.935   1.3108  171.736   3.0431  178.337   4.3372  165.335   4.2708  150.745   1.8334  145.145   1.8750 5.599670 2.622390 
1 1 1    6    8    2 o  154.446   1.5772  187.192   3.8226  186.735   5.1956  187.732   5.6442  154.248   2.1464  154.656   2.3256 -0.4079895 3.164703 
1 1 1    6    8    3 o  357.922   1.6789  1005.35   9.4302  1013.54   13.426  997.379   13.248  359.351   2.3808  356.474   2.3682 2.876892 3.358083 
1 1 1    6    8    4 o  148.716   1.3293  173.551   3.1024  174.802   4.3983  172.313   4.3766  149.244   1.8779  148.178   1.8821 1.066437 2.658762 
1 1 1    6    8    5 o  191.473   1.3483  287.691   4.0515  286.694   5.7188  288.697   5.7405  191.133   1.9066  191.799   1.9072 -0.6665649 2.696778 
1 1 1    6    8    6 o  122.370   1.3926  117.507   2.6743  115.527   3.7838  119.484   3.7804  121.330   1.9872  123.391   1.9523 -2.060822 2.785774 
1 1 1    6    8    7 o  223.875   1.4003  393.295   4.9197  394.923   6.9719  391.681   6.9431  224.330   1.9804  223.407   1.9804 0.9225311 2.800710 
1 1 1    6    8    8 o  649.111   3.6474  3307.51   37.154  3321.96   52.778  3293.31   52.312  650.386   5.1710  647.578   5.1476 2.808777 7.296351 
1 1 1    6    8    9 o  472.418   2.0170  1751.39   14.953  1748.53   21.126  1754.28   21.168  472.001   2.8522  472.776   2.8531 -0.7753906 4.034224 
1 1 1    6    8   10 o  307.694   1.8781  742.960   9.0685  733.352   13.378  751.127   12.335  305.676   2.7889  309.365   2.5407 -3.689056 3.772677 
1 1 1    6    8   11 o  343.405   1.9103  925.447   10.295  913.894   13.343  942.438   16.182  341.238   2.4917  346.508   2.9758 -5.270050 3.881202 
1 1 1    6    8   12 o  149.534   1.4600  175.469   3.4261  169.942   4.8059  181.181   4.8855  147.152   2.0811  151.941   2.0489 -4.788300 2.920497 
1 1 1    6    8   13 o   93.770   1.7172   69.004   2.5270   71.923   3.6517   66.321   3.5004   95.694   2.4336   91.889   2.4296 3.804977 3.438797 
1 1 1    6    8   14 o  217.740   1.5003  372.070   5.1266  369.409   7.2363  374.752   7.2640  216.941   2.1255  218.505   2.1184 -1.563568 3.000931 
1 1 1    6    8   15 o   85.612   1.7572   57.530   2.3608   53.308   3.2937   61.990   3.3856   82.355   2.5516   88.822   2.4312 -6.466080 3.524386 
1 1 1    6    8   16 o  151.430   1.4820  179.995   3.5219  178.052   4.9776  181.944   4.9839  150.581   2.1064  152.219   2.0864 -1.637863 2.964792 
1 1 1    6    8   17 o  214.306   1.5116  360.564   5.0837  352.126   7.1273  369.303   7.2533  211.725   2.1451  216.829   2.1316 -5.104050 3.024108 
1 1 1    6    8   18 o  105.165   1.7501   86.859   2.8882   89.004   3.9934   84.507   4.1822  106.413   2.3914  103.676   2.5705 2.737160 3.510871 
1 1 1    6    8   19 o   30.497   3.4336   7.4216   1.6147   6.7071   2.3283   8.0837   2.2413   28.628   5.3801   31.639   4.6529 -3.011631 7.113058 
1 1 1    6    8   20 o  121.907   1.4456  116.724   2.7655  118.990   4.0067  114.662   3.8217  123.020   2.0754  120.769   2.0165 2.250847 2.893736 
1 1 1    6    8   21 o   14.978   5.2989   1.5640   1.5557   2.5765   2.2943   0.7021   2.1167   18.712   6.4472   14.547   5.9153 4.164382 8.749707 
1 1 1    6    8   22 o   22.712   4.4618   4.2415   1.5335   5.2311   2.2296   3.3531   2.1126   25.044   5.7889   20.300   6.1232 4.743849 8.426459 
1 1 1    6    8   23 o   41.203   2.5152   13.447   1.6186   14.159   2.3208   12.773   2.2585   42.093   3.5463   39.944   3.6430 2.149193 5.084031 
1 1 1    6    8   24 o   11.648   4.9834   0.0073   1.6196   1.6384   2.3577  -1.4501   2.2286   16.675   6.4078   11.689   5.3604 4.986029 8.354254 
1 1 1    6    8   25 f   47.894   2.1545   18.158   1.6152   21.227   2.3416   15.373   2.2308   51.612   2.9028   43.801   3.2689 7.810612 4.371712 
1 1 1    6    8   26 o   40.241   2.6398   12.917   1.6578   10.219   2.2104   16.386   2.5065   35.363   4.0564   45.055   3.5742 -9.692474 5.406411 
1 1 1    6    8   27 o   18.219   4.5297   2.8217   1.2896   0.6840   1.8885   4.6894   1.7652   13.528   5.5542   23.441   4.9538 -9.912977 7.442396 
1 1 1    6    8   28 o   27.591   4.4345   6.4226   1.8550   6.4106   2.6498   6.4341   2.5978   26.661   6.4122   26.768   6.2912 -0.1067867 8.983088 
1 1 1    6    8   29 o   17.901   5.6385   2.8553   1.7682   4.4198   2.5733   1.4556   2.4339   21.624   6.8007   15.639   6.3490 5.985690 9.303687 
1 1 1    6    8   30 o   29.303   4.0182   7.3823   1.7991   6.3580   2.5598   8.3824   2.5292   25.513   6.4040   30.145   5.5510 -4.631783 8.474998 
1 1 1    6    8   31 o   9.5495   4.4530  -1.0602   1.6357   0.2524   2.3345  -2.3258   2.2924   13.064   5.7779   10.285   4.9328 2.778725 7.597119 
1 1 1    6    8   32 o   12.388   5.2324   0.7602   1.7465   2.7190   2.8228  -0.4546   2.2230   16.934   6.8510   11.742   5.3730 5.191807 8.706634 
1 1 1    6    8   33 o   8.1679   4.0403  -3.2407   1.9134  -2.9219   2.6631  -3.5809   2.7510   10.181   4.9821   9.9764   4.9180 0.2045803 7.000582 
1 1 1    6    9    0 o  292.894   2.1519  673.315   9.8898  673.315   9.8898  673.315   9.8898  292.894   2.1519  292.894   2.1519 0.000000 0.000000 
1 1 1    6    9    1 o  206.540   1.3729  334.753   4.4500  338.539   6.3404  331.077   6.2470  207.695   1.9453  205.393   1.9381 2.301483 2.746001 
1 1 1    6    9    2 o  636.409   2.5421  3178.95   25.388  3183.99   35.964  3173.95   35.846  636.814   3.5987  635.810   3.5926 1.003784 5.084987 
1 1 1    6    9    3 o  145.794   1.3692  166.800   3.1327  168.732   4.4472  164.896   4.4135  146.630   1.9327  144.954   1.9402 1.676376 2.738522 
1 1 1    6    9    4 o  109.386   1.4681   93.895   2.5202   96.857   3.5898   91.016   3.5390  111.093   2.0591  107.691   2.0941 3.401901 2.936839 
1 1 1    6    9    5 o  111.863   1.5875   98.195   2.7868   98.816   3.9338   97.570   3.9486  112.211   2.2340  111.501   2.2566 0.7097702 3.175350 
1 1 1    6    9    6 o  264.852   1.5816  550.453   6.5737  543.278   9.2153  557.887   9.3802  263.109   2.2319  266.623   2.2419 -3.513947 3.163409 
1 1 1    6    9    7 o  214.250   1.5094  360.206   5.0749  359.644   7.1645  360.772   7.1896  214.075   2.1326  214.411   2.1367 -0.3354492 3.018893 
1 1 1    6    9    8 o  276.403   2.1221  599.546   9.2049  587.833   11.515  620.285   15.321  273.678   2.6810  281.109   3.4731 -7.431488 4.387508 
1 1 1    6    9    9 o  339.161   1.6571  902.667   8.8198  907.459   12.535  897.968   12.412  340.044   2.3490  338.262   2.3382 1.782654 3.314369 
1 1 1    6    9   10 o  442.728   1.9400  1538.20   13.479  1555.54   19.257  1521.54   18.873  445.185   2.7564  440.294   2.7314 4.890350 3.880493 
1 1 1    6    9   11 o  253.184   1.4721  503.029   5.8492  508.081   8.3344  498.125   8.2109  254.439   2.0873  251.934   2.0768 2.504944 2.944474 
1 1 1    6    9   12 o  164.234   1.3959  211.662   3.5977  211.218   5.1110  212.098   5.0651  164.053   1.9852  164.395   1.9633 -0.3417816 2.792099 
1 1 1    6    9   13 o  232.709   1.4467  424.977   5.2831  422.296   7.4747  427.653   7.4683  231.958   2.0534  233.424   2.0388 -1.466873 2.893624 
1 1 1    6    9   14 f   72.709   1.8332   41.521   2.0900   44.680   3.0267   38.641   2.8895   75.393   2.5619   70.103   2.6311 5.290108 3.672372 
1 1 1    6    9   15 o  141.160   1.4215  156.395   3.1490  162.250   4.5377  150.957   4.3736  143.757   2.0114  138.664   2.0099 5.093185 2.843486 
1 1 1    6    9   16 f  173.502   1.4075  236.302   3.8323  232.091   5.4448  240.436   5.3950  171.911   2.0182  174.978   1.9647 -3.067200 2.816635 
1 1 1    6    9   17 f   99.092   1.5692   77.098   2.4401   76.371   3.5053   77.781   3.3989   98.589   2.2656   99.499   2.1768 -0.9107819 3.141883 
1 1 1    6    9   18 o  119.818   1.4739  112.729   2.7714  111.308   3.9502  114.108   3.8893  119.014   2.1150  120.507   2.0566 -1.492699 2.950066 
1 1 1    6    9   19 o  194.587   1.5312  297.396   4.6757  296.556   6.6406  298.222   6.5847  194.214   2.1788  194.763   2.1544 -0.5490112 3.064082 
1 1 1    6    9   20 o   48.237   2.6091   18.375   1.9677   22.058   2.8505   15.022   2.7195   52.745   3.4630   43.388   4.0404 9.356827 5.321399 
1 1 1    6    9   21 f  102.114   1.6909   81.964   2.7097   79.699   3.8664   84.150   3.7987  100.595   2.4492  103.383   2.3414 -2.787529 3.388333 
1 1 1    6    9   22 o   65.721   1.9568   34.023   2.0159   35.888   2.9062   32.293   2.7987   67.374   2.7545   63.897   2.7978 3.476864 3.926159 
1 1 1    6    9   23 o   36.971   2.8925   10.880   1.6649   10.439   2.4051   11.287   2.3069   35.882   4.3606   37.424   3.9895 -1.541885 5.910231 
1 1 1    6    9   24 o   71.425   1.8783   40.241   2.1035   41.869   3.2392   39.055   2.7660   72.610   2.8483   70.217   2.5142 2.393196 3.799232 
1 1 1    6    9   25 o   51.922   2.1620   21.347   1.7578   21.224   2.5128   21.466   2.4598   51.517   3.1228   51.838   3.0371 -0.3206367 4.356113 
1 1 1    6    9   26 o   31.348   3.8233   8.0332   1.8420   7.0720   2.6285   8.9607   2.5820   28.569   6.0514   32.607   5.2221 -4.037724 7.993141 
1 1 1    6    9   27 o   36.940   2.7801   10.958   1.5998   8.5295   2.3423   13.081   2.1903   31.813   4.8444   40.118   3.5146 -8.304935 5.985066 
1 1 1    6    9   28 o   29.172   3.1333   6.9438   1.4120   7.5721   2.1219   6.4445   1.8916   29.814   4.6898   27.531   4.5360 2.283342 6.524494 
1 1 1    6    9   29 o   34.569   3.8228   10.045   2.0392   10.358   3.0336   9.7872   2.7543   33.613   5.9697   33.000   5.5129 0.6131783 8.125850 
1 1 1    6    9   30 o   24.559   5.1438   5.5449   1.9188   5.2585   2.8421   5.7848   2.6011   22.458   7.1576   23.929   6.6753 -1.470848 9.787322 
1 1 1    6    9   31 o   18.308   5.7122   3.2665   1.8191   5.0355   2.7107   1.8169   2.4538   21.667   6.9986   15.487   6.3418 6.179478 9.444527 
1 1 1    6    9   32 o   12.419   5.1753   0.9238   1.6732  -2.8508   2.3751   4.6432   2.3577   9.8728   4.8034   20.567   6.5150 -10.69421 8.094310 
1 1 1    6    9   33 o   8.8761   4.2082  -1.0792   1.5715  -0.3838   2.2102  -1.7903   2.2349   11.149   5.1913   9.9369   4.7924 1.212198 7.065172 
1 1 1    6   10    0 o  155.708   3.1741  190.516   7.7487  190.516   7.7487  190.516   7.7487  155.708   3.1741  155.708   3.1741 0.000000 0.000000 
1 1 1    6   10    1 o  437.091   2.7271  1499.52   18.706  1511.18   26.645  1488.18   26.268  438.721   3.8700  435.371   3.8447 3.350067 5.455124 
1 1 1    6   10    2 o  149.149   1.8032  174.572   4.2205  173.287   5.9304  175.891   6.0078  148.590   2.5433  149.702   2.5573 -1.112427 3.606650 
1 1 1    6   10    3 o  539.558   2.5893  2284.87   21.924  2313.82   31.395  2257.31   30.630  542.896   3.6850  536.229   3.6399 6.666748 5.179586 
1 1 1    6   10    4 o  272.868   1.7464  584.290   7.4784  572.535   10.460  596.580   10.695  270.095   2.4679  275.708   2.4720 -5.613312 3.493012 
1 1 1    6   10    5 o  119.422   1.7050  111.915   3.1954  110.712   4.5072  113.131   4.5307  118.773   2.4182  120.063   2.4046 -1.290741 3.410262 
1 1 1    6   10    6 o  563.869   2.6764  2495.35   23.683  2519.51   33.797  2472.04   33.196  566.526   3.8015  561.166   3.7695 5.360291 5.353538 
1 1 1    6   10    7 o  139.508   1.7591  152.728   3.8513  147.128   5.7241  157.360   5.2058  136.918   2.6640  141.603   2.3427 -4.684601 3.547557 
1 1 1    6   10    8 o   76.360   2.2696   45.801   2.7167   46.932   3.9297   44.764   3.7598   77.257   3.2485   75.452   3.1825 1.805382 4.547632 
1 1 1    6   10    9 o   47.782   3.0725   17.995   2.2917   14.980   3.2139   21.113   3.2686   43.411   4.7976   51.697   4.0615 -8.286095 6.285883 
1 1 1    6   10   10 o  162.634   1.6584  207.565   4.2325  206.668   6.0000  208.454   5.9714  162.271   2.3562  162.971   2.3348 -0.6999817 3.317059 
1 1 1    6   10   11 o  100.227   1.7805   78.834   2.8005   79.786   3.9039   77.824   4.0198  100.823   2.4673   99.541   2.5755 1.282135 3.566633 
1 1 1    6   10   12 o  114.471   1.6804  102.836   3.0187  104.517   4.2568  101.136   4.2816  115.393   2.3507  113.510   2.4036 1.882828 3.362010 
1 1 1    6   10   13 o  174.764   1.5971  239.706   4.3801  242.085   5.9907  236.974   6.4204  175.613   2.1738  173.743   2.3548 1.869644 3.204716 
1 1 1    6   10   14 o   54.952   2.4679   23.761   2.1228   21.446   2.9826   26.136   3.0219   52.107   3.6710   57.576   3.3591 -5.468906 4.975920 
1 1 1    6   10   15 o  110.322   1.6761   95.550   2.9019   98.614   4.1360   92.579   4.0725  112.048   2.3522  108.564   2.3904 3.484428 3.353601 
1 1 1    6   10   16 o  170.192   1.5402  227.411   4.1135  224.378   5.7879  230.506   5.8474  169.003   2.1823  171.296   2.1752 -2.293152 3.081259 
1 1 1    6   10   17 o   42.194   3.0059   14.078   1.9773   13.427   2.7767   14.748   2.8163   41.017   4.3816   43.033   4.2247 -2.016460 6.086577 
1 1 1    6   10   18 o   24.074   5.3245   4.7738   1.9581   2.8775   2.8297   6.5160   2.7123   20.231   7.1475   28.064   6.3121 -7.833015 9.535670 
1 1 1    6   10   19 o   31.809   4.2481   8.1452   2.0676   4.2415   2.9803   11.768   2.8709   23.104   7.3257   38.208   4.9007 -15.10424 8.813812 
1 1 1    6   10   20 o   67.012   2.3192   35.385   2.4352   31.585   3.5080   38.920   3.3832   63.120   3.5559   70.172   3.0797 -7.051441 4.704168 
1 1 1    6   10   21 o   19.664   6.8982   2.8124   2.6324   5.3195   3.8995   0.7134   3.5681   25.734   8.4004   18.076   7.5468 7.658068 11.29252 
1 1 1    6   10   22 o   69.963   2.3355   38.636   2.5606   39.828   3.5045   37.270   3.7504   70.864   3.1593   68.461   3.5025 2.402786 4.716869 
1 1 1    6   10   23 o   18.066   5.9398   2.5804   1.9481   2.4522   2.6540   2.7301   2.8686   18.783   6.8850   19.634   7.1639 -0.8504276 9.936039 
1 1 1    6   10   24 o   26.431   4.4123   5.7719   1.7657   7.0055   2.7006   4.8508   2.3336   28.613   6.1943   23.784   6.1925 4.828917 8.758737 
1 1 1    6   10   25 o   16.338   5.4412   2.1193   1.6333   0.2305   2.3075   4.0153   2.3120   14.005   5.9688   21.623   6.3781 -7.618017 8.735339 
1 1 1    6   10   26 o   35.753   3.2293   10.323   1.7923   8.7461   2.5530   11.856   2.5169   32.142   5.2419   37.938   4.3033 -5.795929 6.782066 
1 1 1    6   10   27 o   23.580   4.6927   4.7469   1.6754   4.2300   2.3709   5.2625   2.3679   21.792   6.4667   24.285   6.1944 -2.492584 8.954850 
1 1 1    6   10   28 o   23.169   5.2712   4.7610   1.8732   6.1229   2.7001   3.4973   2.6009   25.600   6.6589   19.825   6.8630 5.774979 9.562555 
1 1 1    6   10   29 o   41.263   2.4753   13.784   1.5955   15.806   2.3437   12.037   2.1781   43.578   3.4554   37.827   3.7172 5.750324 5.075133 
1 1 1    6   10   30 o   23.375   3.5565   4.6793   1.2635   4.8476   2.0159   4.5703   1.6216   22.428   5.7128   22.395   4.7608 0.3297806E-01 7.436427 
1 1 1    6   10   31 o   12.526   5.3233   0.6934   1.8262   1.6637   2.6467  -0.1882   2.5229   15.369   6.4637   12.789   5.8021 2.579816 8.685853 
1 1 1    6   10   32 o   13.463   5.4121   1.4989   1.7493   1.3502   2.5078   1.6398   2.4412   14.095   6.1166   14.433   6.1448 -0.3376694 8.670139 
1 1 1    6   10   33 o   12.150   5.1520   1.0852   1.7040   1.5713   2.4346   0.6183   2.3859   13.635   5.9699   12.409   5.6348 1.226305 8.209139 
1 1 1    6   11    0 o   61.681   3.0469   30.075   2.9328   30.075   2.9328   30.075   2.9328   61.681   3.0469   61.681   3.0469 0.000000 0.000000 
1 1 1    6   11    1 f  178.056   1.4799  248.783   4.1352  245.451   5.6217  252.712   6.1041  176.853   2.0256  179.449   2.1676 -2.595215 2.966726 
1 1 1    6   11    2 o  136.687   1.4773  146.610   3.1688  150.248   4.4878  142.993   4.4749  138.368   2.0668  134.985   2.1125 3.382767 2.955353 
1 1 1    6   11    3 o  193.996   1.4384  295.319   4.3792  288.352   6.1357  302.553   6.2520  191.688   2.0397  196.351   2.0290 -4.663574 2.877008 
1 1 1    6   11    4 o  107.139   1.7293   90.077   2.9075   93.435   4.1886   86.955   4.0392  109.112   2.4462  105.261   2.4453 3.851707 3.458779 
1 1 1    6   11    5 o  180.652   1.5659  256.093   4.4393  251.688   6.2918  260.461   6.2646  179.084   2.2388  182.180   2.1912 -3.095230 3.132651 
1 1 1    6   11    6 o  192.316   1.7750  290.237   5.3570  294.169   7.9000  286.890   7.2887  193.603   2.6002  191.195   2.4292 2.407364 3.558385 
1 1 1    6   11    7 o  237.738   1.6162  443.520   6.0298  441.978   8.5389  445.054   8.5160  237.313   2.2928  238.137   2.2788 -0.8244934 3.232649 
1 1 1    6   11    8 o  152.380   1.7175  182.215   4.1071  186.155   6.3644  179.404   5.3763  154.006   2.6334  151.193   2.2659 2.812729 3.474061 
1 1 1    6   11    9 o  414.681   1.8869  1349.52   12.279  1336.83   17.234  1362.60   17.501  412.693   2.6610  416.650   2.6766 -3.957581 3.774247 
1 1 1    6   11   10 o  129.326   1.5708  131.250   3.1881  129.447   4.5945  132.924   4.4274  128.425   2.2797  130.140   2.1678 -1.715027 3.145869 
1 1 1    6   11   11 o  243.331   1.5054  464.657   5.7487  466.601   8.1509  462.733   8.1090  243.822   2.1302  242.810   2.1281 1.012604 3.011092 
1 1 1    6   11   12 o  287.887   1.6375  650.456   7.3977  658.326   10.932  643.807   10.048  289.586   2.4056  286.384   2.2357 3.201477 3.284066 
1 1 1    6   11   13 o  250.216   1.6260  491.407   6.3846  484.492   9.0266  498.331   9.0318  248.410   2.3155  251.934   2.2844 -3.524811 3.252740 
1 1 1    6   11   14 o  227.804   1.5933  407.370   5.6959  409.260   8.1465  405.562   7.9671  228.281   2.2740  227.251   2.2340 1.030212 3.187782 
1 1 1    6   11   15 o  162.726   1.6486  207.906   4.2099  201.940   5.9561  213.863   5.9513  160.320   2.3674  164.991   2.2985 -4.670929 3.299624 
1 1 1    6   11   16 o   70.869   2.0512   39.489   2.2788   42.206   3.2201   36.762   3.2253   73.205   2.8082   68.292   3.0169 4.912781 4.121613 
1 1 1    6   11   17 o   12.382   5.2574   0.0372   1.7788  -0.8800   2.5109   0.9611   2.5202   13.431   5.9635   16.123   6.4910 -2.692060 8.814520 
1 1 1    6   11   18 o   86.524   1.8014   58.826   2.4460   59.816   3.4910   57.872   3.4282   87.150   2.5553   85.721   2.5512 1.428810 3.610898 
1 1 1    6   11   19 o   27.115   4.5146   5.9828   1.8536   6.3318   2.6845   5.6648   2.5624   27.582   6.3357   26.084   6.3257 1.497461 8.952970 
1 1 1    6   11   20 o   17.207   5.7546   2.2454   1.8265   1.4116   2.6310   3.0210   2.5377   17.050   6.7073   19.992   6.7834 -2.942385 9.539487 
1 1 1    6   11   21 f   51.487   2.7994   20.989   2.2534   23.542   3.5642   19.289   2.9084   54.240   4.2205   49.162   3.7992 5.078121 5.678578 
1 1 1    6   11   22 o   28.027   4.3569   6.4208   1.8541   7.1856   2.7388   5.7738   2.5191   29.199   6.1705   26.121   6.2326 3.078928 8.770418 
1 1 1    6   11   23 o   65.706   2.0536   34.092   2.1149   31.184   3.0236   36.878   2.9592   62.586   3.0881   68.165   2.7721 -5.579529 4.149818 
1 1 1    6   11   24 f   41.015   3.1983   13.489   2.0423   13.759   3.1568   13.294   2.6784   40.799   5.0374   40.373   4.2931 0.4254913 6.618630 
1 1 1    6   11   25 o   44.579   3.2590   15.983   2.2642   14.191   3.2400   17.695   3.1654   41.260   5.1132   46.470   4.3928 -5.209507 6.741012 
1 1 1    6   11   26 o   48.383   2.9909   18.804   2.2598   18.397   3.1405   19.241   3.2542   47.290   4.2780   48.340   4.3358 -1.049778 6.091062 
1 1 1    6   11   27 o   17.738   5.6020   2.7012   1.7444   4.9319   2.4877   0.5434   2.4467   23.298   6.5387   14.524   6.1666 8.773488 8.987828 
1 1 1    6   11   28 o   31.503   3.6716   8.2891   1.7812   9.2966   2.5507   7.3303   2.4884   32.480   5.1779   28.393   5.7813 4.086708 7.761065 
1 1 1    6   11   29 f   16.737   5.2467   2.5545   1.5328   2.2869   2.2357   2.7918   2.1056   16.466   6.2612   17.448   6.1655 -0.9825954 8.787245 
1 1 1    6   11   30 o   14.879   5.0489   1.9883   1.4059   1.4212   2.0525   2.4896   1.9296   14.315   5.8233   16.390   5.8901 -2.075133 8.282806 
1 1 1    6   11   31 o   14.912   4.6437   2.0588   1.2029   0.4395   1.7638   3.4668   1.6447   11.876   5.1416   18.825   5.3282 -6.949668 7.404464 
1 1 1    6   11   32 o   9.7843   4.6071  -0.9686   1.8246   2.6219   2.6167  -4.3660   2.5454   15.647   6.4921   9.1234   4.5381 6.523970 7.920989 
1 1 1    6   12    0 o  582.979   3.3970  2667.52   31.076  2667.52   31.076  2667.52   31.076  582.979   3.3970  582.979   3.3970 0.000000 0.000000 
1 1 1    6   12    1 o  224.446   1.6196  395.310   5.7045  394.850   8.0129  395.782   8.1229  224.306   2.2764  224.570   2.3049 -0.2639923 3.239512 
1 1 1    6   12    2 o  119.884   1.7071  112.782   3.2117  112.926   4.7300  112.658   4.3749  119.954   2.5127  119.813   2.3268 0.1411591 3.424543 
1 1 1    6   12    3 o  154.336   1.5381  186.914   3.7253  180.394   5.2519  193.517   5.2850  151.613   2.2074  157.032   2.1446 -5.418533 3.077623 
1 1 1    6   12    4 o  646.161   2.6049  3276.86   26.415  3268.41   37.264  3285.39   37.448  645.253   3.6801  646.927   3.6887 -1.673462 5.210474 
1 1 1    6   12    5 o  158.170   1.6579  196.321   4.1152  191.257   5.8003  201.454   5.8395  156.109   2.3676  160.217   2.3225 -4.108093 3.316599 
1 1 1    6   12    6 o  233.163   1.7778  426.629   6.5051  418.977   8.4719  437.621   10.154  231.053   2.3365  236.128   2.7403 -5.075500 3.601150 
1 1 1    6   12    7 o  141.201   1.6695  156.462   3.6993  155.804   5.2230  157.124   5.2403  140.895   2.3622  141.491   2.3600 -0.5957794 3.339125 
1 1 1    6   12    8 o   57.001   2.7400   25.562   2.4438   23.879   3.5431   27.090   3.3752   54.988   4.1363   58.622   3.6875 -3.634727 5.541336 
1 1 1    6   12    9 o  329.826   1.8008  853.726   9.3208  869.245   13.396  839.163   12.977  332.781   2.5652  326.974   2.5290 5.807343 3.602257 
1 1 1    6   12   10 o  189.494   1.5500  281.797   4.6094  279.224   6.3223  284.716   6.7344  188.614   2.1360  190.457   2.2532 -1.842651 3.104703 
1 1 1    6   12   11 o  188.590   1.6760  279.136   4.9602  283.294   6.8207  274.469   7.2265  189.970   2.2879  186.980   2.4628 2.989136 3.361523 
1 1 1    6   12   12 o  168.058   1.6038  221.678   4.2298  218.879   6.0165  224.415   5.9479  166.967   2.2962  169.068   2.2418 -2.100540 3.209059 
1 1 1    6   12   13 o  181.776   1.6643  259.387   4.7477  260.509   6.5602  258.153   6.8798  182.132   2.2952  181.297   2.4181 0.8341370 3.333964 
1 1 1    6   12   14 o   58.827   2.6286   27.250   2.4205   28.027   3.5112   26.547   3.3414   59.552   3.7766   57.961   3.6928 1.590939 5.281978 
1 1 1    6   12   15 o   57.013   2.6822   25.612   2.3931   23.998   3.4354   27.134   3.3355   55.037   4.0049   58.586   3.6460 -3.548653 5.415956 
1 1 1    6   12   16 o   70.376   2.2158   38.964   2.4441   37.662   3.3925   40.369   3.5243   69.096   3.1369   71.541   3.1469 -2.444427 4.443292 
1 1 1    6   12   17 o   90.668   1.8894   64.600   2.6884   63.603   3.7401   65.664   3.8669   89.863   2.6551   91.303   2.7017 -1.439629 3.787983 
1 1 1    6   12   18 o  114.435   1.7292  102.908   3.1054  103.919   4.3628  101.869   4.4213  114.914   2.4193  113.767   2.4764 1.146957 3.462023 
1 1 1    6   12   19 o   72.260   2.1682   41.122   2.4559   40.873   3.4737   41.370   3.4726   71.905   3.0855   72.345   3.0656 -0.4396667 4.349562 
1 1 1    6   12   20 o   76.540   2.0669   46.141   2.4804   44.730   3.4916   47.579   3.5241   75.209   2.9641   77.584   2.8996 -2.375237 4.146523 
1 1 1    6   12   21 o   61.312   2.3813   29.694   2.2869   30.642   3.2377   28.749   3.2306   62.090   3.3350   60.111   3.4390 1.978367 4.790564 
1 1 1    6   12   22 o   42.549   3.7042   14.535   2.4487   13.983   3.3822   15.143   3.5499   41.225   5.3543   42.911   5.3902 -1.686558 7.597554 
1 1 1    6   12   23 o   77.957   2.0767   48.015   2.5384   48.102   3.7980   47.944   3.4125   77.693   3.1214   77.680   2.8039 0.1276398E-01 4.195833 
1 1 1    6   12   24 o   23.961   5.7120   4.9354   2.1174   2.6329   2.9906   7.2499   2.9984   19.341   7.2667   28.759   6.7587 -9.418186 9.923994 
1 1 1    6   12   25 o   42.014   3.0999   14.197   2.0294   14.649   2.8874   13.755   2.8530   42.159   4.4304   40.795   4.5329 1.363735 6.338405 
1 1 1    6   12   26 o   21.644   5.4425   4.0930   1.8465   3.6676   2.6321   4.5052   2.5910   20.601   6.9083   22.430   6.7846 -1.829306 9.682753 
1 1 1    6   12   27 o   48.593   2.6798   19.009   2.0356   21.990   2.9063   16.139   2.8519   51.759   3.6005   43.965   4.1840 7.794548 5.519892 
1 1 1    6   12   28 o   20.346   5.8542   3.8674   1.9695   2.3533   2.7245   5.5244   2.8502   17.324   6.8224   23.545   7.1146 -6.221039 9.857046 
1 1 1    6   12   29 o   20.735   5.2265   4.0254   1.6999   1.9737   2.5246   5.7270   2.2992   16.031   6.4814   24.200   6.0664 -8.169109 8.877531 
1 1 1    6   12   30 o   22.540   4.9279   4.7361   1.6944   4.8951   2.4394   4.5878   2.3553   21.601   6.5932   20.995   6.4915 0.6057377 9.252511 
1 1 1    6   12   31 o   14.460   5.6075   1.8668   1.8176   4.4723   2.6560  -0.4280   2.4926   19.695   6.9275   12.159   5.6094 7.536050 8.913806 
1 1 1    6   12   32 f   8.8138   4.0234  -0.2959   1.2368  -1.6976   1.8491   0.8387   1.6637   9.0424   4.3605   11.717   5.0327 -2.675006 6.658972 
1 1 1    6   13    0 o   53.751   6.0113   23.522   4.9082   23.522   4.9082   23.522   4.9082   53.751   6.0113   53.751   6.0113 0.000000 0.000000 
1 1 1    6   13    1 o  231.901   2.1857  422.045   7.9541  426.059   11.282  418.078   11.216  232.981   3.0857  230.789   3.0968 2.192581 4.371736 
1 1 1    6   13    2 o  146.915   1.9916  169.385   4.5916  165.238   6.5651  173.355   6.4242  145.094   2.8833  148.617   2.7545 -3.522781 3.987573 
1 1 1    6   13    3 o  277.112   2.0135  602.638   8.7563  613.439   12.586  592.508   12.190  279.562   2.8689  274.753   2.8271 4.809570 4.027812 
1 1 1    6   13    4 o  183.270   1.7576  263.580   5.0548  261.241   7.1259  265.950   7.1715  182.443   2.4889  184.080   2.4826 -1.636871 3.515350 
1 1 1    6   13    5 o  295.526   1.8732  685.390   8.6871  683.268   12.255  687.533   12.316  295.045   2.6468  295.964   2.6517 -0.9192810 3.746615 
1 1 1    6   13    6 o  180.539   2.1542  255.810   6.1034  258.462   8.5883  253.105   8.6754  181.452   3.0161  179.560   3.0787 1.891907 4.309893 
1 1 1    6   13    7 o  279.079   1.9169  611.239   8.3954  612.062   11.380  610.255   12.436  279.245   2.5969  278.823   2.8421 0.4218140 3.849863 
1 1 1    6   13    8 o   43.693   3.8337   15.107   2.6020   11.674   3.6799   18.539   3.6797   38.013   6.3955   48.326   4.9206 -10.31255 8.069421 
1 1 1    6   13    9 o  422.284   2.1439  1399.68   14.208  1420.35   21.153  1382.68   19.177  425.310   3.1693  419.654   2.9120 5.655396 4.303976 
1 1 1    6   13   10 o  134.825   1.7301  142.671   3.6607  138.679   5.2401  146.476   5.1161  132.905   2.5124  136.594   2.3867 -3.689056 3.465326 
1 1 1    6   13   11 o  151.696   1.6573  180.621   3.9452  188.429   5.7261  173.565   5.4434  154.914   2.3554  148.679   2.3330 6.234375 3.315242 
1 1 1    6   13   12 o  134.912   1.6870  142.885   3.5717  143.379   5.1311  142.419   4.9748  135.112   2.4200  134.662   2.3541 0.4494781 3.376084 
1 1 1    6   13   13 o  189.497   1.6236  281.928   4.8283  281.252   6.8976  282.577   6.7608  189.211   2.3230  189.661   2.2715 -0.4501953 3.248995 
1 1 1    6   13   14 o   30.779   4.7828   7.6539   2.2352   8.2019   3.2455   7.1594   3.0829   31.547   6.7590   29.443   6.8082 2.104153 9.593489 
1 1 1    6   13   15 o   86.227   1.9438   58.412   2.6303   63.413   3.7285   53.458   3.7112   89.756   2.6500   82.379   2.8751 7.376854 3.910034 
1 1 1    6   13   16 f  117.294   1.6874  108.074   3.1059  107.782   4.3691  108.373   4.4162  117.070   2.3781  117.388   2.3973 -0.3180542 3.376762 
1 1 1    6   13   17 o   93.088   1.8971   68.112   2.7713   64.924   3.8888   71.401   3.9505   90.759   2.7335   95.195   2.6470 -4.435913 3.805058 
1 1 1    6   13   18 o   64.977   2.5523   33.302   2.5975   32.067   3.7106   34.489   3.6372   63.567   3.7362   65.972   3.5260 -2.404465 5.137269 
1 1 1    6   13   19 o   39.653   3.7732   12.565   2.3197   10.264   3.3007   14.811   3.2607   35.234   6.1954   42.824   4.9425 -7.589897 7.925405 
1 1 1    6   13   20 o   38.569   3.8411   11.929   2.2940   13.928   3.3399   10.143   3.1564   41.344   5.2671   34.992   5.9614 6.352360 7.954933 
1 1 1    6   13   21 o   16.953   5.8769   2.1407   1.9074   1.8029   2.7186   2.4681   2.6770   17.741   6.8639   18.885   6.9159 -1.144150 9.743883 
1 1 1    6   13   22 o   77.104   2.1334   46.967   2.5789   44.657   3.3875   50.150   3.9771   74.971   2.8846   79.343   3.2007 -4.371674 4.308804 
1 1 1    6   13   23 o   28.021   4.5926   6.5179   1.9496   6.4937   2.7735   6.5416   2.7411   27.330   6.5517   27.457   6.4687 -0.1268349 9.207018 
1 1 1    6   13   24 o   30.553   5.0548   7.8533   2.3389   12.104   3.3183   3.6557   3.2973   37.736   5.7877   21.399   7.6984 16.33732 9.631376 
1 1 1    6   13   25 o   40.809   3.1764   13.442   2.0182   12.598   2.8513   14.290   2.8571   38.828   4.7802   41.544   4.4517 -2.716358 6.532068 
1 1 1    6   13   26 o   11.504   5.1086  -0.3951   1.8433  -0.4887   2.6393  -0.3060   2.5754   13.632   6.0797   13.692   6.0615 -0.5952549E-01 8.585087 
1 1 1    6   13   27 o   21.578   5.4972   4.2228   1.8665   4.4281   2.6466   4.0197   2.6326   21.595   6.9097   20.717   6.9084 0.8776932 9.770886 
1 1 1    6   13   28 f   14.736   5.6148   1.6885   1.8001   2.2196   2.5545   1.1647   2.5370   16.683   6.5948   14.969   6.3138 1.713951 9.129924 
1 1 1    6   13   29 o   24.247   4.8542   5.3981   1.7826   8.3946   2.5467   2.5201   2.4959   29.647   5.6807   16.781   6.5531 12.86524 8.672572 
1 1 1    6   13   30 o   12.937   5.3902   0.9810   1.8146   3.8384   2.5614  -1.8977   2.5710   18.962   6.7896   11.186   5.3259 7.776415 8.629292 
1 1 1    6   13   31 o   11.498   4.9114   0.6778   1.5686   0.5640   2.2974   0.7772   2.1468   12.632   5.6503   12.678   5.5767 -0.4606915E-01 7.938863 
1 1 1    6   14    0 o  459.370   2.8959  1656.30   20.875  1656.30   20.875  1656.30   20.875  459.370   2.8959  459.370   2.8959 0.000000 0.000000 
1 1 1    6   14    1 o  199.494   1.5618  312.310   4.8896  305.105   6.8471  319.807   6.9847  197.168   2.2129  201.863   2.2049 -4.694687 3.123868 
1 1 1    6   14    2 o   98.442   1.9142   76.053   2.9571   74.950   4.1638   77.176   4.2004   97.679   2.7189   99.120   2.7029 -1.441605 3.833833 
1 1 1    6   14    3 o  251.848   1.5918  497.746   6.2912  498.155   8.9043  497.338   8.8900  251.935   2.2522  251.728   2.2504 0.2065887 3.183829 
1 1 1    6   14    4 o  263.549   1.7119  545.084   7.0802  531.684   9.8357  559.495   10.200  260.270   2.4081  266.989   2.4345 -6.719391 3.424256 
1 1 1    6   14    5 o  124.358   1.8481  121.367   3.6067  116.596   5.0224  126.448   5.1828  121.878   2.6259  126.923   2.6020 -5.045235 3.696755 
1 1 1    6   14    6 o  302.544   1.8674  718.359   8.8659  723.695   13.089  713.835   12.052  303.630   2.7469  301.564   2.5467 2.066162 3.745782 
1 1 1    6   14    7 o  436.593   2.1359  1496.12   14.634  1500.38   20.735  1491.89   20.655  437.147   3.0226  435.909   3.0195 1.237732 4.272364 
1 1 1    6   14    8 o  179.471   1.7164  252.794   4.8342  250.089   6.7703  255.609   6.9048  178.487   2.4171  180.445   2.4384 -1.958191 3.433377 
1 1 1    6   14    9 f   56.794   2.9018   25.397   2.5777   27.463   3.7459   23.538   3.5525   58.971   4.0727   54.563   4.1807 4.408245 5.836563 
1 1 1    6   14   10 o   15.272   6.0581   0.9661   2.1627   0.8382   3.0357   1.0980   3.0819   17.287   7.0634   17.784   7.1716 -0.4969635 10.06593 
1 1 1    6   14   11 o  133.984   1.6457  140.927   3.4602  139.955   4.8979  141.895   4.8890  133.488   2.3381  134.412   2.3178 -0.9234924 3.292230 
1 1 1    6   14   12 o   82.078   2.0330   52.912   2.6186   53.708   3.7077   52.119   3.6988   82.605   2.8645   81.370   2.9013 1.235786 4.077059 
1 1 1    6   14   13 o  171.121   1.5504  229.917   4.1634  229.079   5.8879  230.756   5.8879  170.751   2.1973  171.376   2.1893 -0.6248322 3.101800 
1 1 1    6   14   14 o  103.783   1.8117   84.605   2.9507   84.676   4.1462   84.533   4.2000  103.772   2.5460  103.681   2.5813 0.9091187E-01 3.625686 
1 1 1    6   14   15 f   55.016   2.7292   23.877   2.3489   25.289   3.3402   22.496   3.3039   56.487   3.7900   53.232   3.9839 3.255016 5.498727 
1 1 1    6   14   16 o   46.502   3.1047   17.120   2.2527   18.026   3.1620   16.185   3.2101   47.537   4.2845   44.963   4.6149 2.574402 6.297191 
1 1 1    6   14   17 o   61.018   2.5253   29.368   2.4129   29.045   3.4367   29.681   3.3885   60.511   3.6358   61.189   3.5440 -0.6772423 5.077320 
1 1 1    6   14   18 o   81.922   2.0589   52.839   2.6448   49.345   3.6890   56.535   3.7939   79.017   2.9803   84.609   2.8615 -5.591499 4.131594 
1 1 1    6   14   19 o   28.949   4.8044   6.8639   2.1062   12.300   2.9634   1.3155   2.9939   38.919   4.9650   17.624   7.0819 21.29552 8.648905 
1 1 1    6   14   20 o   43.072   3.2393   14.789   2.1735   18.545   3.1242   11.267   3.0257   48.025   4.1872   37.016   5.3649 11.00814 6.805481 
1 1 1    6   14   21 o   14.219   5.7550   0.7981   1.9928   0.5033   2.7890   1.1055   2.8484   15.772   6.6343   16.796   6.8498 -1.023757 9.535938 
1 1 1    6   14   22 o   50.778   3.0856   20.596   2.4471   22.946   3.5640   18.500   3.3660   53.173   4.3080   47.613   4.5606 5.560738 6.273564 
1 1 1    6   14   23 o   14.547   6.1525   0.4105   2.4199   0.8441   3.6610   0.0741   3.2249   17.845   7.5584   16.016   6.9433 1.828720 10.26345 
1 1 1    6   14   24 o   30.406   6.5335   8.1573   3.0246   9.7217   4.4046   6.7614   4.1607   32.166   8.5714   27.036   8.6650 5.129580 12.18819 
1 1 1    6   14   25 o   20.305   6.5083   3.6040   2.3472   4.8926   3.3556   2.3693   3.2845   23.251   7.8003   18.883   7.4738 4.367941 10.80287 
1 1 1    6   14   26 f   36.016   4.2125   10.889   2.3360   7.9539   3.2124   14.183   3.4030   29.020   7.1105   40.280   5.5293 -11.26012 9.007374 
1 1 1    6   14   27 o   21.483   5.9718   4.3486   2.0857   1.8502   2.9617   6.8068   2.9378   16.803   6.9331   26.199   7.0087 -9.395981 9.858441 
1 1 1    6   14   28 o   11.531   5.1679  -0.2377   1.9324  -1.6209   2.5976   1.4764   2.8916   11.721   5.5122   15.730   6.6922 -4.009397 8.670005 
1 1 1    6   14   29 o   13.307   5.4883   1.0966   1.8548   0.8562   2.6315   1.3339   2.6148   14.256   6.2250   14.875   6.3471 -0.6183500 8.890244 
1 1 1    6   14   30 o   11.409   5.0091   0.2745   1.7250  -0.8081   2.4708   1.3037   2.4092   11.775   5.4848   14.183   6.0733 -2.408010 8.183364 
1 1 1    6   14   31 o   13.283   5.3898   1.6092   1.7530  -0.3133   2.3756   3.9078   2.5976   11.512   5.3676   17.464   6.7220 -5.951978 8.602087 
1 1 1    6   15    0 f  314.496   2.4433  776.349   12.057  776.349   12.057  776.349   12.057  314.496   2.4433  314.496   2.4433 0.000000 0.000000 
1 1 1    6   15    1 o  109.115   1.9748   93.441   3.3816   93.440   4.7713   93.443   4.7934  109.067   2.7899  109.068   2.8028 -0.1083374E-02 3.954689 
1 1 1    6   15    2 o  297.174   1.6921  693.058   7.8910  685.683   11.087  700.630   11.234  295.565   2.3902  298.769   2.3960 -3.203735 3.384394 
1 1 1    6   15    3 o   84.917   2.2884   56.640   3.0468   55.407   4.3034   57.879   4.3144   83.941   3.2731   85.800   3.2099 -1.858414 4.584415 
1 1 1    6   15    4 o   43.963   3.8902   15.299   2.6563   10.977   3.7556   19.624   3.7574   36.775   6.7566   49.734   4.8769 -12.95968 8.332771 
1 1 1    6   15    5 o  380.152   1.8712  1134.23   11.163  1140.62   15.859  1127.96   15.716  381.172   2.6512  379.051   2.6420 2.120514 3.742908 
1 1 1    6   15    6 o   83.380   2.3228   54.618   3.0364   62.061   4.4085   47.900   4.1882   88.841   3.1672   78.018   3.4291 10.82211 4.667950 
1 1 1    6   15    7 o  299.776   1.8130  705.362   8.5291  708.573   13.071  702.981   11.256  300.391   2.7727  299.233   2.3970 1.158722 3.665120 
1 1 1    6   15    8 o  140.720   1.6819  155.431   3.7142  153.942   5.2602  156.912   5.2453  140.019   2.3939  141.365   2.3644 -1.345795 3.364707 
1 1 1    6   15    9 o  103.134   1.8779   83.505   3.0393   81.683   4.3001   85.324   4.2964  101.937   2.6904  104.190   2.6298 -2.252800 3.762178 
1 1 1    6   15   10 o  109.865   1.9440   94.782   3.3516   96.089   5.1565   93.827   4.4103  110.523   2.9757  109.279   2.5718 1.244560 3.933046 
1 1 1    6   15   11 o   81.360   2.1197   52.033   2.7040   56.425   3.8579   47.791   3.7912   84.662   2.9080   77.889   3.1079 6.773270 4.256244 
1 1 1    6   15   12 o   15.419   6.1896   0.8930   2.2845  -1.6435   3.1031   3.8950   3.3758   14.336   6.4762   22.956   7.8232 -8.620024 10.15597 
1 1 1    6   15   13 o   58.178   2.8633   26.695   2.6061   23.794   3.5602   30.045   3.8252   54.751   4.1751   61.589   3.9790 -6.838383 5.767481 
1 1 1    6   15   14 f   85.217   2.2177   57.132   2.9632   58.366   4.0701   55.740   4.3226   86.037   3.0192   84.040   3.2839 1.997627 4.460884 
1 1 1    6   15   15 o  116.224   2.0491  106.202   3.7373  107.915   5.1530  104.301   5.4285  117.056   2.8052  115.008   3.0104 2.048050 4.114763 
1 1 1    6   15   16 o   72.335   2.6621   41.273   3.0167   44.937   4.1377   37.116   4.4077   75.339   3.5094   68.332   4.1296 7.006821 5.419372 
1 1 1    6   15   17 o   31.528   5.1082   8.1225   2.4410   10.346   3.3882   5.7229   3.5197   35.360   6.3389   26.296   7.8973 9.063768 10.12665 
1 1 1    6   15   18 o   30.718   5.0883   7.7388   2.3671   7.0589   3.2461   8.5110   3.4592   28.876   7.1909   31.737   7.1209 -2.861519 10.12014 
1 1 1    6   15   19 o   14.819   5.9786   0.8697   2.1429   1.4353   2.9839   0.2673   3.0795   17.715   7.0866   16.259   6.9113 1.455931 9.898798 
1 1 1    6   15   20 o   56.311   2.6675   25.147   2.3505   24.282   3.2420   26.105   3.4128   55.040   3.7763   57.059   3.8336 -2.019394 5.381165 
1 1 1    6   15   21 o   31.253   4.5427   8.0409   2.1628   9.4955   2.9926   6.4505   3.1292   33.527   5.9034   27.172   7.2172 6.354185 9.324062 
1 1 1    6   15   22 o   13.147   5.6218   0.1254   2.0593  -0.4213   2.8637   0.7108   2.9634   14.591   6.4285   16.285   6.8436 -1.693962 9.389412 
1 1 1    6   15   23 o   16.055   6.0704   1.7190   2.0943   3.5359   2.9477  -0.1333   2.9762   20.794   7.2993   15.113   6.6091 5.680772 9.846789 
1 1 1    6   15   24 o   30.836   5.1570   8.1064   2.4075   11.882   3.4209   4.4009   3.3888   36.932   6.1162   22.487   7.8310 14.44494 9.936436 
1 1 1    6   15   25 o   37.003   3.8606   11.323   2.2089   11.526   3.1303   11.122   3.1174   36.316   5.6785   35.600   5.7780 0.7162514 8.101262 
1 1 1    6   15   26 o   14.266   5.9733   0.8778   2.2449   2.4759   3.1866  -0.6965   3.1629   18.195   7.3081   14.254   6.4784 3.941366 9.766163 
1 1 1    6   15   27 o   13.756   5.8430   0.8002   2.1982   5.2381   3.0947  -3.7190   3.1229   22.311   7.4910   11.480   5.5674 10.83134 9.333310 
1 1 1    6   15   28 o   16.970   5.9943   2.7478   1.9902   3.9741   2.8127   1.5181   2.8165   19.463   7.0950   15.487   6.5973 3.976139 9.688310 
1 1 1    6   15   29 o   13.758   5.6425   1.3254   1.9462   2.9439   2.9224   0.0356   2.6089   17.325   6.9845   13.087   5.9226 4.237400 9.157566 
1 1 1    6   15   30 o   10.747   4.9556  -0.4211   1.9420  -0.0214   2.7976  -0.7928   2.6981   12.762   5.9071   11.901   5.6034 0.8606310 8.142043 
1 1 1    6   15   31 o   9.8358   4.6513  -0.8623   1.8967  -1.9834   2.7699   0.1275   2.6026   10.672   5.1913   12.060   5.6216 -1.387998 7.651886 
1 1 1    6   16    0 o  166.967   2.4555  218.941   6.4309  218.941   6.4309  218.941   6.4309  166.967   2.4555  166.967   2.4555 0.000000 0.000000 
1 1 1    6   16    1 o  314.181   1.8090  774.735   8.9190  774.060   13.011  775.332   12.250  313.998   2.6405  314.266   2.4839 -0.2680054 3.625174 
1 1 1    6   16    2 o  110.473   2.0141   95.793   3.4917   95.373   4.9073   96.225   4.9695  110.175   2.8406  110.665   2.8639 -0.4903259 4.033748 
1 1 1    6   16    3 o  136.889   1.7988  147.077   3.8642  148.461   5.4835  145.711   5.4462  137.512   2.5410  136.232   2.5474 1.279800 3.598098 
1 1 1    6   16    4 o   92.200   2.1673   66.734   3.1359   67.895   4.4867   65.625   4.3847   92.926   3.0810   91.359   3.0626 1.567238 4.344214 
1 1 1    6   16    5 o   92.266   2.1297   66.831   3.0837   69.539   4.3985   64.213   4.3244   94.046   2.9841   90.365   3.0538 3.681404 4.269728 
1 1 1    6   16    6 o  299.675   1.7123  704.930   8.0528  702.925   11.387  706.936   11.390  299.191   2.4253  300.044   2.4189 -0.8530273 3.425346 
1 1 1    6   16    7 o  144.577   1.9616  164.111   4.4506  160.873   6.2584  167.424   6.3306  143.100   2.7869  145.986   2.7633 -2.885956 3.924572 
1 1 1    6   16    8 o   81.488   2.3748   52.205   3.0337   50.447   4.2060   54.110   4.3799   80.026   3.3566   82.883   3.3744 -2.857620 4.759563 
1 1 1    6   16    9 f  118.414   1.9265  110.119   3.5799  108.875   5.0144  111.412   5.1125  117.694   2.7150  119.055   2.7364 -1.361382 3.854725 
1 1 1    6   16   10 o   40.157   4.3015   12.860   2.6686   16.957   3.8807   9.1838   3.6754   45.984   5.4858   33.352   7.2312 12.63278 9.076571 
1 1 1    6   16   11 o   50.039   3.3012   19.798   2.5779   15.441   3.5475   24.673   3.7524   43.869   5.2576   55.750   4.3227 -11.88135 6.806505 
1 1 1    6   16   12 o  105.987   2.0064   88.268   3.3372   87.241   4.6271   89.381   4.8178  105.260   2.8037  106.533   2.8844 -1.273201 4.022478 
1 1 1    6   16   13 f  100.349   1.9520   79.139   3.0740   76.849   4.3315   81.462   4.3632   98.765   2.7975  101.697   2.7365 -2.931671 3.913356 
1 1 1    6   16   14 o   31.473   4.8208   8.0351   2.3053   8.6079   3.2539   7.4577   3.2667   32.210   6.6575   29.886   7.0755 2.323832 9.715175 
1 1 1    6   16   15 o   39.924   3.7871   12.718   2.3443   14.697   3.3655   10.853   3.2673   42.670   5.1287   36.392   5.9248 6.278721 7.836255 
1 1 1    6   16   16 o   27.031   5.7898   6.0717   2.3820   6.7999   3.4139   5.3807   3.3253   28.413   7.5345   25.531   7.6780 2.881878 10.75738 
1 1 1    6   16   17 o  118.146   1.9054  109.827   3.5328  102.790   4.9308  117.251   5.0642  114.127   2.7531  121.917   2.6469 -7.789978 3.819106 
1 1 1    6   16   18 o   18.706   6.5397   2.5892   2.3646   2.8159   3.3049   2.3515   3.3847   20.545   7.6553   19.916   7.6712 0.6290722 10.83747 
1 1 1    6   16   19 o   44.241   3.7369   15.710   2.5702   15.190   3.4127   16.392   3.9067   43.067   5.1516   44.552   5.7195 -1.485683 7.697487 
1 1 1    6   16   20 o   37.735   4.7496   11.691   2.7504   10.188   3.6477   13.672   4.1874   34.332   7.0078   39.944   6.9313 -5.612095 9.856598 
1 1 1    6   16   21 o   42.803   4.0334   14.887   2.6773   13.480   3.7104   16.414   3.8671   39.839   6.1312   44.244   5.7020 -4.405300 8.372855 
1 1 1    6   16   22 o   12.826   5.8165  -1.1241   2.5319  -0.0568   3.5599  -2.2167   3.6019   16.531   7.2287   14.536   6.7194 1.994576 9.869404 
1 1 1    6   16   23 o   17.034   6.3884   2.0599   2.3090   4.3205   3.2215  -0.3284   3.3112   22.323   7.6416   15.559   6.8813 6.763346 10.28332 
1 1 1    6   16   24 o   37.014   4.9585   11.642   2.8078   16.030   3.9499   7.1596   3.9921   42.779   6.0524   27.177   8.4593 15.60258 10.40155 
1 1 1    6   16   25 o   19.870   6.4504   3.5959   2.3009   1.2021   3.2674   5.9507   3.2407   16.743   7.1182   24.641   7.6138 -7.897879 10.42295 
1 1 1    6   16   26 o   16.480   6.3805   2.1777   2.3504   1.7956   3.1861   2.6339   3.4813   16.889   7.0967   18.330   7.5352 -1.441717 10.35091 
1 1 1    6   16   27 o   11.608   5.3505  -0.8402   2.2599  -0.8415   3.2948  -0.8391   3.1057   13.784   6.3909   13.442   6.2225 0.3427162 8.919838 
1 1 1    6   16   28 o   15.163   6.1457   1.8301   2.2762   2.1783   3.1731   1.4610   3.2672   16.540   7.0225   15.759   6.9073 0.7807322 9.850211 
1 1 1    6   16   29 o   10.326   4.9835  -2.3366   2.4270  -0.7913   3.4297  -3.8866   3.4350   13.395   6.3101   11.433   5.6078 1.962192 8.441854 
1 1 1    6   16   30 o   9.5661   4.6458  -2.1070   2.1948  -1.7960   3.2619  -2.3643   2.9669   11.716   5.6839   10.914   5.3229 0.8024950 7.787163 
1 1 1    6   17    0 o  256.461   3.2762  516.689   13.181  516.689   13.181  516.689   13.181  256.461   3.2762  256.461   3.2762 0.000000 0.000000 
1 1 1    6   17    1 o   29.232   7.1039   7.0176   3.2264   9.4755   4.3517   4.0172   4.8081   33.931   8.2529   25.201   9.2620 8.729403 12.40547 
1 1 1    6   17    2 o  120.770   2.2149  114.521   4.1978  110.054   5.9038  119.089   5.9699  118.306   3.1828  123.077   3.0933 -4.770767 4.438346 
1 1 1    6   17    3 o  142.838   2.0337  160.187   4.5587  160.763   6.4658  159.617   6.4282  143.052   2.8802  142.541   2.8737 0.5104370 4.068645 
1 1 1    6   17    4 o   33.521   5.9829   9.1309   3.0318   7.4837   4.2763   10.796   4.2991   30.315   8.5955   36.237   7.7916 -5.921749 11.60139 
1 1 1    6   17    5 o  156.816   1.9738  193.092   4.8575  189.188   6.8886  196.954   6.8505  155.165   2.8290  158.323   2.7572 -3.158249 3.950382 
1 1 1    6   17    6 o  118.760   2.0013  110.759   3.7298  109.351   5.3691  112.073   5.1853  117.947   2.9007  119.416   2.7670 -1.468643 4.008786 
1 1 1    6   17    7 o   87.030   2.4949   59.569   3.4040   59.443   4.5835   59.724   5.0830   86.856   3.3691   87.020   3.7308 -0.1646423 5.026940 
1 1 1    6   17    8 o   47.737   3.5135   18.036   2.6136   16.102   3.7824   19.804   3.6157   44.792   5.4960   49.878   4.6738 -5.085918 7.214573 
1 1 1    6   17    9 f   37.748   4.3642   11.391   2.5377   10.408   3.6572   12.305   3.5241   35.603   6.7935   38.963   5.9522 -3.359524 9.032236 
1 1 1    6   17   10 o   25.735   6.4679   5.4736   2.6087   8.4448   3.9598   3.1951   3.4676   31.854   7.9477   21.804   7.8881 10.04930 11.19769 
1 1 1    6   17   11 o   61.724   2.7665   30.043   2.6730   25.082   3.8141   34.830   3.7470   56.167   4.3614   66.361   3.6116 -10.19442 5.662658 
1 1 1    6   17   12 o   86.371   2.1667   58.693   2.9345   54.117   4.0660   63.669   4.2394   82.809   3.1345   89.849   3.0109 -7.039658 4.346334 
1 1 1    6   17   13 o   53.608   3.0134   22.725   2.5249   20.458   3.5603   25.019   3.5813   50.600   4.5316   56.081   4.0975 -5.481209 6.109429 
1 1 1    6   17   14 o   35.397   4.4074   10.091   2.3954   11.089   3.3693   9.0700   3.4061   36.749   6.0528   32.984   6.8063 3.765816 9.108299 
1 1 1    6   17   15 o   50.052   3.2319   19.874   2.5250   21.912   3.5894   17.878   3.5527   52.328   4.4120   47.123   4.8745 5.205292 6.574684 
1 1 1    6   17   16 o   51.170   3.1032   20.773   2.4802   19.458   3.4767   22.135   3.5393   49.205   4.5542   52.563   4.3290 -3.357861 6.283372 
1 1 1    6   17   17 o   60.572   2.7652   29.055   2.6215   30.381   3.6836   27.693   3.7316   61.688   3.8239   58.818   4.0679 2.870487 5.582966 
1 1 1    6   17   18 o   33.894   4.4694   9.3672   2.3194   11.403   3.1970   7.1049   3.3701   37.066   5.6767   28.668   7.4305 8.397943 9.350772 
1 1 1    6   17   19 o   26.692   5.5493   6.0247   2.2486   4.6478   3.0655   7.6282   3.3082   23.442   7.4293   29.579   7.1966 -6.137358 10.34334 
1 1 1    6   17   20 o   17.206   6.9273   1.4462   2.8706   6.1659   4.0527  -3.3062   4.0667   26.441   8.5589   14.864   6.9604 11.57730 11.03185 
1 1 1    6   17   21 o   25.324   6.1865   5.5984   2.4372   6.7016   3.4693   4.5234   3.4245   27.239   7.7483   23.045   7.8789 4.193670 11.05046 
1 1 1    6   17   22 o   20.642   6.6333   3.6717   2.4372   5.0287   3.5336   2.4404   3.3659   23.797   8.0047   19.294   7.5874 4.503582 11.02924 
1 1 1    6   17   23 o   14.446   6.1036   0.5716   2.3774   0.8874   3.3716   0.2594   3.3528   16.941   7.2174   16.154   7.0405 0.7871418 10.08264 
1 1 1    6   17   24 f   27.947   6.3109   7.1446   2.7021   7.2085   3.6907   7.0709   3.9669   26.996   8.0821   26.551   8.4556 0.4443607 11.69691 
1 1 1    6   17   25 o   25.301   6.1164   6.0461   2.4015   8.1443   3.3804   3.9082   3.4123   28.321   7.4916   20.355   7.7364 7.966896 10.76919 
1 1 1    6   17   26 o   13.226   5.8135   0.3116   2.3293  -2.0422   3.2890   2.6802   3.2993   12.895   6.1061   17.827   7.3326 -4.931108 9.542128 
1 1 1    6   17   27 o   18.586   6.2382   3.4993   2.1461   3.0073   3.0406   3.9879   3.0296   17.696   7.1277   19.281   7.2987 -1.585859 10.20173 
1 1 1    6   17   28 o   16.108   6.0418   2.5121   2.0654   4.3084   2.9374   0.7554   2.9048   19.431   7.2216   14.265   6.3688 5.165766 9.628798 
1 1 1    6   17   29 o   16.953   6.0285   3.2389   2.0159   2.0984   2.8489   4.3827   2.8530   14.981   6.5101   18.390   7.0534 -3.409105 9.598496 
1 1 1    6   18    0 o   32.872   8.2201   9.9572   3.6684   9.9572   3.6684   9.9572   3.6684   32.872   8.2201   32.872   8.2201 0.000000 0.000000 
1 1 1    6   18    1 o   82.880   2.3850   54.008   3.0987   51.095   4.3658   56.966   4.3989   80.518   3.4632   85.042   3.3024 -4.524109 4.785355 
1 1 1    6   18    2 o   40.250   4.4163   12.918   2.7438   11.166   3.9107   14.617   3.8506   36.931   7.0040   42.597   5.9200 -5.666821 9.170752 
1 1 1    6   18    3 o  189.590   1.8203  282.257   5.4157  280.308   7.6674  284.198   7.6506  188.860   2.5870  190.169   2.5636 -1.308655 3.642084 
1 1 1    6   18    4 o  138.194   1.9626  149.993   4.2562  151.906   6.0922  148.169   5.9487  139.004   2.7928  137.287   2.7611 1.717468 3.927265 
1 1 1    6   18    5 o   37.060   4.8898   11.029   2.7745   12.190   4.0377   9.9912   3.8189   38.606   6.9188   34.818   7.2262 3.788223 10.00440 
1 1 1    6   18    6 o   77.312   2.6683   47.051   3.2324   43.198   4.6177   50.752   4.5264   73.923   3.9954   80.195   3.6059 -6.272034 5.381920 
1 1 1    6   18    7 o   58.358   3.4712   26.917   3.1646   26.996   4.2627   26.820   4.7236   58.270   4.7015   57.985   5.2477 0.2847176 7.045743 
1 1 1    6   18    8 o   65.297   2.9442   33.622   3.0092   35.474   4.3579   31.935   4.1602   66.911   4.1709   63.469   4.2004 3.442410 5.919488 
1 1 1    6   18    9 o   78.109   2.4235   48.024   2.9670   49.157   4.2121   46.909   4.1799   78.903   3.4098   77.066   3.4650 1.837006 4.861393 
1 1 1    6   18   10 o   55.975   3.5135   24.810   3.0707   26.749   4.3079   22.807   4.3783   57.912   4.7827   53.340   5.3006 4.571751 7.139317 
1 1 1    6   18   11 o   56.194   3.0452   24.961   2.6754   25.682   3.8013   24.254   3.7659   56.798   4.2966   55.170   4.3858 1.627991 6.139730 
1 1 1    6   18   12 o  116.481   1.9257  106.677   3.5201  108.936   5.0052  104.467   4.9517  117.590   2.7123  115.149   2.7402 2.441536 3.855584 
1 1 1    6   18   13 o   15.213   6.3842   0.3521   2.5733  -3.9498   3.7343   4.2420   3.5510   13.953   6.5765   23.556   8.0238 -9.602557 10.37460 
1 1 1    6   18   14 o   64.546   2.9423   32.954   2.9725   33.022   4.4193   32.898   4.0168   64.294   4.4067   64.273   4.0023 0.2145386E-01 5.952909 
1 1 1    6   18   15 o   16.145   6.5768   0.9158   2.6223   3.2465   3.9342  -0.9476   3.5177   22.238   8.3390   15.967   7.0756 6.271176 10.93633 
1 1 1    6   18   16 o   72.416   2.8814   41.543   3.2680   44.257   4.6797   38.959   4.5656   74.416   4.0222   69.753   4.1902 4.663651 5.808241 
1 1 1    6   18   17 o   83.381   2.4396   54.977   3.1888   56.122   4.4351   53.751   4.5881   83.951   3.3733   82.084   3.5703 1.867317 4.911840 
1 1 1    6   18   18 o   16.373   6.4699   1.3991   2.4579   1.0115   3.3473   1.8526   3.6207   17.642   7.3332   19.306   7.7774 -1.663805 10.68947 
1 1 1    6   18   19 o   27.646   5.9319   6.5573   2.4965   12.926   3.5639   0.4209   3.4982   39.070   6.0045   17.087   7.3175 21.98280 9.465732 
1 1 1    6   18   20 o   19.954   6.7901   3.2644   2.5429   4.5698   3.6384   2.0178   3.5556   23.262   8.1135   19.137   7.7079 4.124804 11.19108 
1 1 1    6   18   21 o   18.704   6.8555   2.6674   2.6314  -2.2097   3.8911   6.7773   3.5720   15.096   6.9803   27.121   7.9081 -12.02464 10.54811 
1 1 1    6   18   22 o   29.152   5.8603   7.4622   2.5879   6.5057   3.6488   8.4304   3.6710   26.271   8.0722   29.976   7.7478 -3.704744 11.18877 
1 1 1    6   18   23 o   26.324   6.3421   6.3306   2.5888   8.2270   3.5848   4.2637   3.7424   29.209   7.7093   21.919   8.1504 7.290272 11.21881 
1 1 1    6   18   24 o   19.502   7.3696   3.4036   3.0856   1.1661   4.3539   5.6615   4.3737   17.937   7.9137   23.332   8.7833 -5.395323 11.82259 
1 1 1    6   18   25 o   30.154   5.8974   8.6191   2.6906   7.0419   3.7448   10.302   3.8685   24.962   8.2366   30.841   7.9444 -5.879015 11.44361 
1 1 1    6   18   26 o   10.986   5.2054  -1.7546   2.3973  -5.7861   3.2061   3.3578   3.6104   10.343   5.1361   18.513   7.6483 -8.170173 9.212831 
1 1 1    6   18   27 o   14.237   5.9964   1.3324   2.2830   3.3204   3.2017  -0.7242   3.2565   17.939   7.2822   13.459   6.2782 4.480516 9.614898 
1 1 1    6   18   28 o   10.618   5.0719  -1.6378   2.3706  -1.5158   3.3192  -1.7648   3.3870   12.475   5.9704   12.412   5.9639 0.6329346E-01 8.438828 
1 1 1    6   18   29 o   12.128   5.5433   0.4920   2.3577  -0.3155   3.3331   1.3006   3.3354   12.594   6.0152   13.848   6.4237 -1.253621 8.800337 
1 1 1    6   19    0 o   95.042   3.0867   71.201   4.5928   71.201   4.5928   71.201   4.5928   95.042   3.0867   95.042   3.0867 0.000000 0.000000 
1 1 1    6   19    1 o   58.429   3.1814   26.946   2.9061   27.518   4.1237   26.382   4.0962   58.875   4.4972   57.631   4.5664 1.244812 6.409159 
1 1 1    6   19    2 o  182.719   1.7298  262.203   4.9600  264.155   7.0342  260.273   6.9950  183.316   2.4452  181.963   2.4496 1.352707 3.461132 
1 1 1    6   19    3 o   89.017   2.2987   62.319   3.2085   64.612   4.5293   60.010   4.5458   90.545   3.1926   87.240   3.3264 3.304451 4.610626 
1 1 1    6   19    4 o  102.892   2.1062   83.190   3.4009   84.841   4.8052   81.533   4.8139  103.794   2.9530  101.740   3.0184 2.053864 4.222723 
1 1 1    6   19    5 o  125.967   2.0125  124.680   3.9783  127.293   5.3999  121.578   5.8835  127.209   2.7050  124.283   3.0166 2.926376 4.051781 
1 1 1    6   19    6 o   49.931   3.7283   19.770   2.9003   20.635   4.1845   18.970   4.0235   50.746   5.3342   48.627   5.3613 2.118839 7.562912 
1 1 1    6   19    7 o   52.686   3.6316   21.998   2.9842   20.301   4.2615   23.631   4.1803   50.274   5.4907   54.393   4.9515 -4.119381 7.393586 
1 1 1    6   19    8 o   46.460   3.9982   17.180   2.8868   22.408   4.2019   12.505   3.9728   52.896   5.1261   39.011   6.7325 13.88432 8.461872 
1 1 1    6   19    9 o   14.230   6.2181  -0.5006   2.6300   2.5993   3.7884  -3.3844   3.6539   21.261   8.1346   14.216   6.6376 7.045985 10.49898 
1 1 1    6   19   10 o   33.968   6.1754   9.5089   3.1706   10.379   4.2956   8.4674   4.6994   35.112   7.9778   31.720   9.0163 3.391703 12.03906 
1 1 1    6   19   11 o   66.633   2.8746   35.074   2.9988   35.447   4.1673   34.674   4.3187   66.778   3.9949   66.001   4.1913 0.7773819 5.790191 
1 1 1    6   19   12 o   32.031   5.7004   8.4541   2.7604   7.1688   3.7240   10.021   4.1123   29.137   7.9328   34.413   7.7960 -5.275547 11.12237 
1 1 1    6   19   13 o   49.397   3.9684   19.490   3.0504   18.522   4.2761   20.493   4.3527   47.658   5.8394   50.230   5.6181 -2.571712 8.103247 
1 1 1    6   19   14 o   34.398   5.5198   9.7454   2.8788   11.497   4.0425   7.9429   4.1007   36.887   7.2421   30.410   8.3427 6.476349 11.04758 
1 1 1    6   19   15 o   45.159   4.2495   16.432   2.9762   21.054   4.2134   11.831   4.2045   50.799   5.3663   37.209   7.4603 13.58962 9.189862 
1 1 1    6   19   16 o   64.036   3.1437   32.638   3.1495   29.424   4.3417   36.207   4.5756   60.294   4.6239   67.021   4.3744 -6.726978 6.365158 
1 1 1    6   19   17 o   29.365   5.9885   7.3418   2.6660   10.094   3.8194   4.7264   3.7230   33.995   7.3721   23.944   8.2143 10.05066 11.03732 
1 1 1    6   19   18 o   39.391   4.0945   12.641   2.4942   13.425   3.5675   11.891   3.4885   39.869   5.8780   37.351   6.1664 2.517887 8.519097 
1 1 1    6   19   19 f   15.023   6.1666   0.8791   2.3272   1.1800   3.3674   0.6041   3.2200   17.652   7.3477   16.609   7.0639 1.043503 10.19251 
1 1 1    6   19   20 o   39.272   4.0734   12.667   2.4740   12.106   3.4837   13.238   3.5141   37.362   6.1557   39.255   5.8857 -1.892803 8.516662 
1 1 1    6   19   21 o   21.288   6.8470   4.0049   2.5963   5.6692   3.4457   1.8188   3.9492   24.743   7.8806   19.091   7.9527 5.652008 11.19595 
1 1 1    6   19   22 o   14.206   6.0539   0.4941   2.3733  -2.6243   3.3115   3.7875   3.4032   13.169   6.2027   20.979   7.7776 -7.809973 9.948125 
1 1 1    6   19   23 f   20.066   6.5631   3.7601   2.3797   3.6470   3.3853   3.8706   3.3459   20.161   7.6955   20.506   7.6901 -0.3447990 10.87927 
1 1 1    6   19   24 o   22.631   6.8095   5.1746   2.6150   5.5374   3.8257   4.8564   3.5827   22.487   8.2622   21.458   7.9754 1.029699 11.48355 
1 1 1    6   19   25 o   15.312   6.1950   1.8123   2.3082   1.0301   3.2988   2.5626   3.2308   15.506   6.8626   17.310   7.2006 -1.804341 9.947069 
1 1 1    6   19   26 o   14.502   6.0331   1.4900   2.2684  -0.0819   3.1751   3.1287   3.2418   13.936   6.3934   17.736   7.2790 -3.800366 9.688090 
1 1 1    6   19   27 o   14.092   5.9097   1.4853   2.2027   1.5796   3.0677   1.3849   3.1646   15.129   6.6600   15.003   6.6761 0.1261139 9.430120 
1 1 1    6   19   28 o   10.864   5.0846  -0.5188   2.1646  -1.0685   3.0439   0.0435   3.0787   11.874   5.6920   12.766   6.0027 -0.8915300 8.272333 
1 1 1    6   20    0 f   81.941   4.8912   53.482   6.2377   53.482   6.2377   53.482   6.2377   81.941   4.8912   81.941   4.8912 0.000000 0.000000 
1 1 1    6   20    1 o   48.092   5.2354   18.548   3.8875   15.768   5.4894   21.345   5.5061   43.571   8.3318   51.221   7.0356 -7.650345 10.90502 
1 1 1    6   20    2 o   22.112   7.9977   3.3138   3.5644   4.1270   5.0688   2.5183   5.0134   25.425   9.4793   23.263   9.2251 2.161224 13.22726 
1 1 1    6   20    3 o   65.188   3.3368   33.581   3.4022   36.474   4.8542   30.788   4.7698   67.738   4.5936   62.144   4.9314 5.593990 6.739454 
1 1 1    6   20    4 o   81.024   2.6770   51.724   3.3991   51.436   4.9626   51.979   4.6653   80.606   3.9351   81.076   3.6763 -0.4707489 5.385156 
1 1 1    6   20    5 o   24.085   7.3691   4.6841   3.0449  -0.6327   4.0050   11.967   4.6874   17.626   7.6883   37.811   8.1406 -20.18519 11.19730 
1 1 1    6   20    6 o   52.354   3.6418   21.746   2.9735   19.157   4.2687   24.186   4.1443   48.721   5.6902   55.005   4.8508 -6.284286 7.477198 
1 1 1    6   20    7 o   14.068   6.2342  -0.8614   2.7311   1.4059   3.9645  -2.9092   3.7678   19.891   8.0927   14.884   6.8774 5.006604 10.62028 
1 1 1    6   20    8 o   22.516   7.0455   4.0686   2.7654  -1.1978   3.9737   9.0146   3.8509   16.922   7.5084   32.739   7.6360 -15.81757 10.70904 
1 1 1    6   20    9 o   27.998   6.4502   6.5476   2.7757   9.5195   4.0031   3.7959   3.8520   33.589   7.7518   23.149   8.3217 10.43930 11.37285 
1 1 1    6   20   10 o   52.425   4.0335   21.921   3.2929   16.825   4.4140   28.316   4.9447   45.293   6.3872   59.281   5.3735 -13.98859 8.346949 
1 1 1    6   20   11 o   45.403   3.8737   16.466   2.7337   13.963   3.8240   19.082   3.9095   41.225   6.0942   48.576   5.2099 -7.350224 8.017596 
1 1 1    6   20   12 o   82.730   2.4313   54.007   3.1531   52.377   4.3978   55.731   4.5232   81.236   3.4576   83.805   3.4467 -2.568298 4.882067 
1 1 1    6   20   13 o   27.951   6.0724   6.5711   2.5872   7.5294   3.6604   5.6143   3.6573   29.602   7.7793   25.913   8.1016 3.689260 11.23182 
1 1 1    6   20   14 o   56.465   3.1266   25.362   2.7596   21.185   3.8906   29.592   3.9149   51.066   4.9156   60.707   4.1340 -9.641254 6.422879 
1 1 1    6   20   15 o   38.064   4.3508   11.787   2.5523   10.668   3.5784   12.947   3.6414   35.360   6.6936   39.284   6.1049 -3.923222 9.059464 
1 1 1    6   20   16 o   60.161   2.9245   28.833   2.7528   23.766   3.8434   34.170   3.9447   54.009   4.5777   65.146   3.8760 -11.13675 5.998292 
1 1 1    6   20   17 o   13.608   5.9710  -0.3223   2.4473   1.4685   3.5252  -1.9885   3.4003   18.426   7.5793   14.320   6.5867 4.105756 10.04145 
1 1 1    6   20   18 o   12.911   5.7849  -0.7669   2.4196  -0.6408   3.4423  -0.8900   3.4017   15.632   6.9592   15.284   6.8528 0.3487234 9.766877 
1 1 1    6   20   19 o   17.540   6.5755   2.2074   2.4458   1.8455   3.4511   2.5726   3.4666   18.536   7.5471   19.611   7.7038 -1.075045 10.78457 
1 1 1    6   20   20 o   36.321   4.5398   11.044   2.5313   10.556   3.5427   11.552   3.6180   34.219   6.8365   35.952   6.6576 -1.733150 9.542665 
1 1 1    6   20   21 o   18.337   6.8085   2.6821   2.6098   7.3514   3.6851  -2.0162   3.6966   27.446   8.0406   14.509   6.7414 12.93762 10.49275 
1 1 1    6   20   22 o   22.676   6.8370   4.9405   2.6343   6.3725   3.7411   3.5323   3.7099   24.869   8.2336   20.236   7.9634 4.633251 11.45464 
1 1 1    6   20   23 o   21.426   6.8753   4.6125   2.6189   5.2904   3.6724   3.9110   3.7357   22.213   8.1057   20.100   7.9657 2.113010 11.36461 
1 1 1    6   20   24 o   19.141   7.0206   3.7762   2.7603   4.4818   4.4403   3.3317   3.5240   20.232   8.4309   18.570   7.6016 1.662546 11.35181 
1 1 1    6   20   25 o   12.817   5.7769   0.0407   2.4532   2.3654   3.4910  -2.2270   3.4480   16.899   7.2746   12.698   6.0793 4.200571 9.480350 
1 1 1    6   20   26 o   17.644   6.5934   3.3505   2.4550   6.4555   3.5076   0.3688   3.4373   22.315   7.9503   14.418   6.6284 7.896585 10.35101 
1 1 1    6   20   27 o   8.8498   4.3939  -3.8829   2.3427  -7.7686   3.2878   0.1242   3.3388   9.1798   4.6441   13.284   6.2481 -4.104538 7.784951 
1 1 1    6   20   28 o   11.612   5.3903   0.1977   2.3548  -1.7815   3.2997   2.2517   3.3615   11.403   5.5730   14.367   6.5864 -2.963372 8.627761 
1 1 1    6   21    0 o   25.257   9.8062   6.9526   3.6983   6.9526   3.6983   6.9526   3.6983   25.257   9.8062   25.257   9.8062 0.000000 0.000000 
1 1 1    6   21    1 o   46.474   3.9186   17.197   2.8313   15.697   3.9850   18.726   4.0234   43.964   5.9268   48.207   5.4117 -4.243122 8.025764 
1 1 1    6   21    2 o   52.890   3.4438   22.175   2.8428   24.071   4.0265   20.291   4.0141   54.877   4.7214   50.255   5.1631 4.621807 6.996405 
1 1 1    6   21    3 o   21.890   6.9257   3.8122   2.6650   3.5715   3.8287   4.0384   3.7119   22.813   8.2836   23.443   8.1937 -0.6300697 11.65138 
1 1 1    6   21    4 o   19.959   6.9371   2.9084   2.6586   4.9319   3.7517   0.8673   3.7680   25.038   8.2434   18.776   7.7903 6.262520 11.34208 
1 1 1    6   21    5 o   33.270   6.4158   9.1724   3.2283   13.118   4.5796   5.2745   4.5516   39.615   7.6434   26.315   9.0803 13.30015 11.86904 
1 1 1    6   21    6 o   36.440   5.0276   10.769   2.7986   10.819   3.9543   10.718   3.9612   35.965   7.2568   35.781   7.3020 0.1837311 10.29472 
1 1 1    6   21    7 o   59.238   3.4731   27.842   3.2145   29.898   4.4482   25.593   4.6504   61.128   4.6724   56.362   5.3207 4.765785 7.081049 
1 1 1    6   21    8 o   45.428   4.4395   16.562   3.1245   15.507   4.3637   17.671   4.4760   43.356   6.6233   46.437   6.3049 -3.081383 9.144374 
1 1 1    6   21    9 f   30.658   6.3060   7.8524   2.9326   12.733   4.0216   2.3097   4.2856   39.107   6.7997   21.495   8.5276 17.61240 10.90664 
1 1 1    6   21   10 o   29.280   7.0871   7.2677   3.2211   6.7486   4.1497   8.0546   5.1091   28.292   8.5921   30.781   9.5681 -2.489510 12.85972 
1 1 1    6   21   11 f   27.834   6.7750   6.5762   2.9310   4.7583   4.0036   8.6758   4.3027   24.648   8.5157   31.654   8.4882 -7.005642 12.02361 
1 1 1    6   21   12 o   51.213   3.8476   21.014   3.0697   14.801   4.2254   27.957   4.4670   42.027   6.6259   58.764   4.8881 -16.73678 8.233860 
1 1 1    6   21   13 o   40.905   4.2637   13.554   2.6968   17.120   3.8459   10.103   3.7826   45.592   5.4853   34.235   7.2657 11.35690 9.103833 
1 1 1    6   21   14 o   13.994   6.0935  -0.2206   2.5067  -2.4622   3.5281   2.0644   3.5622   14.336   6.6349   19.506   7.7629 -5.170537 10.21198 
1 1 1    6   21   15 o   32.349   5.3350   8.7801   2.6141   6.1706   3.6985   11.385   3.6952   26.430   8.1281   36.319   6.7311 -9.889380 10.55337 
1 1 1    6   21   16 o   13.720   6.0201  -0.3040   2.4877  -0.8453   3.5035   0.2464   3.5331   15.622   6.9832   16.870   7.2906 -1.248666 10.09542 
1 1 1    6   21   17 o   18.503   6.7080   2.6103   2.5094   3.5507   3.5643   1.6861   3.5335   21.383   7.9535   18.562   7.6066 2.821451 11.00540 
1 1 1    6   21   18 o   17.204   6.6764   1.9289   2.5779   3.3777   3.7747   0.6625   3.5291   21.139   8.1118   17.113   7.3395 4.026684 10.93937 
1 1 1    6   21   19 o   14.257   6.2306  -0.0189   2.6411  -1.5294   3.7257   1.5069   3.7445   15.138   6.9377   18.341   7.6993 -3.202712 10.36389 
1 1 1    6   21   20 o   19.960   6.9141   3.5032   2.6400   0.6869   3.6779   6.4968   3.7918   17.016   7.3956   25.732   8.2744 -8.715424 11.09775 
1 1 1    6   21   21 o   12.244   5.6771  -1.4284   2.6005   6.3467   3.7220  -8.8443   3.6350   24.812   8.2125   10.371   5.1985 14.44108 9.719526 
1 1 1    6   21   22 o   14.031   6.0933   0.5614   2.4926   3.4091   3.5105  -2.3341   3.5399   19.282   7.6956   13.324   6.3166 5.958210 9.955974 
1 1 1    6   21   23 o   17.275   6.6753   2.7805   2.5689   2.9613   3.7577   2.6219   3.5199   18.215   7.6835   17.645   7.4393 0.5701180 10.69485 
1 1 1    6   21   24 o   11.838   5.6210  -1.7653   2.8246  -0.3013   4.4167  -2.7783   3.6742   15.385   7.2202   12.730   6.1408 2.654606 9.478487 
1 1 1    6   21   25 o   11.026   5.2574  -1.7778   2.5234   0.7153   3.5825  -4.2329   3.5551   14.932   6.8283   11.524   5.6631 3.408804 8.871038 
1 1 1    6   21   26 o   12.199   5.6212   0.0179   2.4922  -1.5919   3.4886   1.6959   3.5617   12.405   5.9838   14.974   6.8326 -2.569844 9.082389 
1 1 1    6   21   27 o   11.055   5.3176  -1.0936   2.7088   5.6962   3.8113  -8.0245   3.8507   17.793   7.6293   9.7219   4.9301 8.071203 9.083636 
1 1 1    6   22    0 o   21.810   10.216   5.6170   3.9128   5.6170   3.9128   5.6170   3.9128   21.810   10.216   21.810   10.216 0.000000 0.000000 
1 1 1    6   22    1 o   20.901   7.0263   3.3475   2.7226   8.2444   3.8636  -1.4826   3.8371   31.204   7.8873   16.278   7.2899 14.92603 10.74024 
1 1 1    6   22    2 o   44.513   4.2182   15.863   2.9114   12.228   4.0840   19.620   4.1516   38.306   7.0537   49.243   5.4642 -10.93707 8.922539 
1 1 1    6   22    3 o   38.019   4.9196   11.706   2.8664   14.697   4.1273   8.9196   3.9839   42.261   6.4253   32.426   7.9024 9.835133 10.18492 
1 1 1    6   22    4 o   37.933   4.8921   11.656   2.8445   6.2233   4.0569   16.909   3.9893   27.438   8.5256   45.584   5.7010 -18.14636 10.25611 
1 1 1    6   22    5 o   23.052   7.2867   4.2955   2.9507   7.7151   4.5349   1.7847   3.8858   30.192   8.9394   20.113   8.0729 10.07942 12.04513 
1 1 1    6   22    6 o   17.194   6.7957   1.4185   2.7122   0.3105   3.8518   2.5080   3.8196   18.162   7.7252   20.994   8.1323 -2.831261 11.21669 
1 1 1    6   22    7 o   33.778   5.3794   9.3690   2.7560   6.8962   3.8977   11.841   3.8973   28.515   8.2452   37.622   6.8536 -9.106802 10.72169 
1 1 1    6   22    8 o   27.309   6.5564   6.3017   2.7742   3.3881   3.9181   9.2310   3.9286   22.385   8.3364   32.836   7.7495 -10.45090 11.38204 
1 1 1    6   22    9 o   29.115   6.5206   7.1751   2.9051   5.8505   3.9134   8.8012   4.3359   26.453   8.3954   31.832   8.5141 -5.379194 11.95711 
1 1 1    6   22   10 o   38.366   5.1855   12.078   3.0422   10.667   3.9581   14.114   4.7554   35.269   7.3884   40.552   7.7551 -5.282547 10.71117 
1 1 1    6   22   11 o   38.589   4.6855   12.155   2.7793   9.5181   3.9362   14.776   3.9250   33.054   7.7274   42.072   6.1244 -9.018036 9.860049 
1 1 1    6   22   12 o   15.779   6.5869   0.6585   2.7175  -2.8816   3.8429   4.1992   3.8433   14.770   6.8664   23.203   8.3158 -8.433055 10.78428 
1 1 1    6   22   13 o   26.924   6.5298   6.2876   2.7302   9.8160   3.8331   2.6541   3.8898   33.368   7.5027   20.761   8.1590 12.60686 11.08423 
1 1 1    6   22   14 o   25.598   6.7128   5.7440   2.7293   5.0254   3.8358   6.4808   3.8843   24.296   8.3377   26.898   8.3397 -2.602520 11.79270 
1 1 1    6   22   15 o   17.903   6.8698   2.1172   2.7073   8.5403   3.8337  -4.2723   3.8237   30.597   7.9225   13.527   6.4558 17.06963 10.21979 
1 1 1    6   22   16 o   38.196   4.6837   12.145   2.7488   14.092   4.0794   10.526   3.7202   40.057   6.7277   34.273   7.1485 5.784031 9.816412 
1 1 1    6   22   17 o   19.651   7.0743   3.1266   2.7848  -1.0639   3.9095   7.4430   3.9678   16.021   7.2503   28.007   8.3790 -11.98607 11.08033 
1 1 1    6   22   18 o   22.838   7.2945   4.7725   2.9505   1.2240   4.1454   8.4160   4.2005   18.549   7.9551   29.284   8.5860 -10.73540 11.70481 
1 1 1    6   22   19 o   15.435   6.8245   0.0137   3.2545   2.4981   4.6467  -2.3784   4.5596   20.251   8.5434   15.820   7.3960 4.431150 11.30002 
1 1 1    6   22   20 o   12.627   5.8973  -1.7440   2.8874   1.4385   4.1910  -4.6196   3.9838   18.043   7.8676   13.015   6.3064 5.027858 10.08320 
1 1 1    6   22   21 o   23.934   7.1623   5.9245   2.8989   4.9787   4.1111   6.8597   4.0883   21.589   8.4162   24.450   8.5951 -2.861107 12.02950 
1 1 1    6   22   22 o   11.778   5.5368  -1.4831   2.6159  -1.5788   3.6510  -1.3822   3.7500   13.721   6.4780   14.026   6.6046 -0.3049316 9.251247 
1 1 1    6   22   23 o   11.597   5.4507  -1.2922   2.5337   3.3998   3.6602  -5.6093   3.5109   18.194   7.6232   10.924   5.4161 7.269307 9.351330 
1 1 1    6   22   24 o   12.709   5.7627   0.0608   2.4847   1.2677   3.6281  -1.0053   3.4099   15.484   6.9981   13.279   6.2665 2.205790 9.393766 
1 1 1    6   22   25 o   12.311   5.5917   0.2821   2.3511  -0.5169   3.3432   1.0640   3.3072   13.013   6.1603   14.291   6.5447 -1.278053 8.987912 
1 1 1    6   22   26 o   11.429   5.3331  -0.0428   2.3532  -2.1804   3.3423   2.0582   3.3136   11.304   5.5420   14.285   6.5453 -2.980950 8.576406 
1 1 1    6   23    0 o   23.804   10.253   6.5377   3.9320   6.5377   3.9320   6.5377   3.9320   23.804   10.253   23.804   10.253 0.000000 0.000000 
1 1 1    6   23    1 f   35.346   5.1477   10.207   2.7715   8.4912   3.8874   11.981   3.9525   31.519   7.8808   37.823   6.9136 -6.304319 10.48352 
1 1 1    6   23    2 o   39.263   4.7819   12.493   2.8858   5.2308   4.0719   19.820   4.0903   25.595   8.5927   49.413   5.3605 -23.81837 10.12770 
1 1 1    6   23    3 o   29.661   6.2757   7.3804   2.8299   8.6187   4.0148   6.1575   3.9895   31.697   8.0556   27.151   8.4574 4.545929 11.67991 
1 1 1    6   23    4 o   31.193   6.0678   8.1268   2.8633   10.578   4.0221   5.6080   4.0771   35.257   7.5003   26.194   8.5919 9.062492 11.40506 
1 1 1    6   23    5 o   19.429   7.3067   2.4176   3.0250   2.0325   4.3290   2.7851   4.2289   21.074   8.4991   21.912   8.5377 -0.8380756 12.04680 
1 1 1    6   23    6 o   35.432   6.7785   10.597   3.6318   10.130   5.6927   10.917   4.7163   33.855   10.014   35.383   8.5827 -1.527870 13.18857 
1 1 1    6   23    7 o   66.654   3.4941   35.407   3.6421   33.660   5.1563   37.146   5.1451   64.406   5.1442   67.792   4.8686 -3.385590 7.082849 
1 1 1    6   23    8 o   19.629   7.4661   2.4604   3.1795   4.6814   4.4824   0.2114   4.5106   24.753   8.9665   19.140   8.2544 5.613079 12.18738 
1 1 1    6   23    9 o   39.726   5.0970   12.977   3.1044   12.102   4.2774   13.951   4.5127   37.378   7.5523   40.263   7.4151 -2.884731 10.58399 
1 1 1    6   23   10 o   32.958   5.8706   9.1665   2.9250   11.903   4.0475   6.1750   4.2317   37.086   7.2144   26.733   8.7523 10.35322 11.34245 
1 1 1    6   23   11 o   27.916   6.5748   6.7651   2.8325   5.4084   3.9691   8.1731   4.0435   25.167   8.4837   30.151   8.2895 -4.983843 11.86120 
1 1 1    6   23   12 o   17.403   6.8519   1.7331   2.7478  -0.2936   3.9282   3.6748   3.8450   17.142   7.5418   22.098   8.2526 -4.955833 11.17964 
1 1 1    6   23   13 o   20.216   6.8829   3.3621   2.6129   3.0519   3.6821   3.6767   3.7085   20.824   8.0063   21.825   8.1138 -1.001480 11.39888 
1 1 1    6   23   14 o   24.226   6.6862   5.2100   2.6250   3.0445   3.7584   7.2724   3.6678   20.775   8.0615   28.120   7.9562 -7.345879 11.32647 
1 1 1    6   23   15 o   22.931   6.7832   4.6933   2.6120   8.8490   3.7590   0.8133   3.6322   30.903   7.7624   17.476   7.4696 13.42648 10.77268 
1 1 1    6   23   16 o   13.118   5.9208  -0.8625   2.5871  -0.0224   3.6508  -1.7100   3.6667   16.457   7.2542   14.878   6.8422 1.578709 9.971913 
1 1 1    6   23   17 o   20.354   6.8140   3.6738   2.5608   2.0199   3.6000   5.3679   3.6434   18.595   7.6552   23.853   8.1275 -5.257618 11.16507 
1 1 1    6   23   18 o   29.593   5.8838   7.8893   2.6362   5.5127   3.6605   10.450   3.7997   23.747   8.1450   32.914   7.5212 -9.167843 11.08645 
1 1 1    6   23   19 f   11.617   5.5138  -2.3586   2.7122  -0.7820   4.1557  -3.5283   3.5797   15.828   7.2808   12.771   6.1353 3.056485 9.521131 
1 1 1    6   23   20 o   15.072   6.5019   1.0087   2.8001  -0.3389   4.3049   1.9970   3.6866   15.955   7.3647   17.415   7.4860 -1.460814 10.50135 
1 1 1    6   23   21 o   14.504   6.3008   0.9772   2.6668  -0.1450   3.8525   2.0095   3.6953   15.071   6.9605   16.937   7.3865 -1.866052 10.14930 
1 1 1    6   23   22 o   12.071   5.6460  -1.0424   2.6628  -0.3580   3.7816  -1.7154   3.7500   14.493   6.7624   13.468   6.4182 1.024894 9.323263 
1 1 1    6   23   23 f   10.635   5.1326  -2.4073   2.5736  -3.6998   3.6270  -1.0966   3.6525   11.896   5.8199   13.531   6.4153 -1.635165 8.661821 
1 1 1    6   23   24 o   10.054   4.9149  -2.8706   2.5715  -1.6266   3.6171  -4.1418   3.6564   12.626   6.0911   11.340   5.6051 1.285620 8.277563 
1 1 1    6   23   25 o   9.6382   4.7473  -2.8665   2.5456   1.3571   3.6077  -7.0540   3.5923   13.834   6.5029   9.6613   4.8837 4.172812 8.132586 
1 1 1    6   24    0 f   47.574   7.2143   19.374   5.0198   19.374   5.0198   19.374   5.0198   47.574   7.2143   47.574   7.2143 -0.000000 0.000000 
1 1 1    6   24    1 o   20.775   7.4687   3.1584   3.1029   0.3940   4.5334   5.5948   4.2560   19.425   8.3247   26.089   8.7849 -6.664404 12.10270 
1 1 1    6   24    2 o   32.906   6.8162   9.2211   3.4040   7.5839   4.8621   10.795   4.7672   29.592   9.3536   35.004   8.7128 -5.411631 12.78295 
1 1 1    6   24    3 o   45.009   5.0782   16.548   3.5244   10.591   5.0076   22.396   4.9611   34.514   9.1127   51.982   6.2040 -17.46745 11.02411 
1 1 1    6   24    4 o   18.370   7.4221   1.5094   3.3081   3.8062   4.7423  -0.6677   4.6171   23.766   9.0991   18.469   8.1490 5.296455 12.21467 
1 1 1    6   24    5 o   23.759   7.6840   4.7040   3.2669   6.0839   4.8367   3.5462   4.4303   27.064   9.3594   22.981   8.7956 4.083361 12.84373 
1 1 1    6   24    6 o   44.097   4.9674   15.931   3.3778   22.710   4.9092   9.8371   4.6547   52.228   6.1046   33.148   8.8014 19.08006 10.71122 
1 1 1    6   24    7 o   21.789   7.1844   3.9106   2.8493   3.8775   4.0452   3.9432   4.0141   22.865   8.4790   22.933   8.4568 -0.6805611E-01 11.97545 
1 1 1    6   24    8 o   9.8271   4.8675  -6.2468   2.8112  -9.5714   3.9713  -2.9079   3.9799   11.278   5.6194   15.011   6.9818 -3.733366 8.962283 
1 1 1    6   24    9 o   44.383   4.8493   16.224   3.3227   20.414   4.4576   10.987   4.9842   49.328   5.8736   34.495   9.0836 14.83302 10.81720 
1 1 1    6   24   10 o   27.625   6.8438   6.7254   2.9515   6.6927   4.1401   6.7592   4.2089   27.239   8.6339   27.358   8.7094 -0.1189957 12.26369 
1 1 1    6   24   11 f   28.082   6.8156   6.9892   2.9729   5.7157   4.2799   8.1766   4.1325   25.466   8.8044   29.741   8.4555 -4.274641 12.20704 
1 1 1    6   24   12 o   36.882   5.4504   11.540   3.0597   15.593   4.4003   7.7469   4.2574   42.109   6.8975   28.746   8.6972 13.36306 11.10029 
1 1 1    6   24   13 o   10.256   5.0610  -5.8900   2.9390  -4.1762   4.1467  -7.6200   4.1662   14.196   6.7605   12.369   6.0886 1.827321 9.098098 
1 1 1    6   24   14 o   38.801   5.0928   12.762   3.0263   14.614   4.3199   10.977   4.2408   40.259   7.0969   34.136   8.0484 6.122890 10.73044 
1 1 1    6   24   15 o   17.448   7.1581   1.6336   3.1335   0.6397   4.3928   2.6632   4.4710   18.299   8.0153   20.593   8.5098 -2.294083 11.69026 
1 1 1    6   24   16 o   16.292   6.9203   0.9792   3.0837   2.3835   4.3840  -0.3960   4.3385   19.875   8.3362   17.018   7.6754 2.856903 11.33155 
1 1 1    6   24   17 f   16.161   6.8828   1.0801   3.0642   1.1426   4.2894   1.0149   4.3790   18.061   7.9155   18.054   7.9521 0.7135391E-02 11.22014 
1 1 1    6   24   18 o   15.488   6.6706   0.9981   2.9384   4.5239   4.0204  -3.0453   4.3054   21.229   8.3091   14.330   6.8421 6.899148 10.76361 
1 1 1    6   24   19 o   18.266   7.0366   3.1743   2.8482   6.8151   4.0762  -0.2993   3.9815   23.908   8.5646   15.396   7.0982 8.512087 11.12372 
1 1 1    6   24   20 o   12.168   5.8008  -2.0801   3.0697  -4.0336   4.3480  -0.1388   4.3344   13.211   6.4436   15.552   7.2510 -2.341208 9.700375 
1 1 1    6   24   21 o   12.310   5.7682  -1.0267   2.7998  -5.2414   3.7703   4.1542   4.1802   11.495   5.6835   18.948   8.0532 -7.452944 9.856787 
1 1 1    6   24   22 o   10.125   4.9530  -3.2922   2.6249  -0.7794   3.6463  -5.9954   3.7819   13.681   6.4636   11.046   5.5003 2.635558 8.487131 
1 1 1    6   24   23 o   9.8671   4.8495  -3.2570   2.6096  -1.7335   3.6603  -4.8320   3.7215   12.556   6.0744   11.087   5.5101 1.469152 8.201167 
1 1 1    6   24   24 o   8.3429   4.2053  -5.5547   2.5556  -9.5521   3.5743  -1.3743   3.6552   8.9016   4.5369   12.073   5.8928 -3.171717 7.436978 
1 1 1    6   25    0 o   11.347   7.6195  -1.2394   3.8316  -1.2394   3.8316  -1.2394   3.8316   11.347   7.6195   11.347   7.6195 -0.000000 0.000000 
1 1 1    6   25    1 f   13.019   5.9585  -1.5951   2.7359  -3.1167   3.8444  -0.0337   3.8943   14.559   6.8015   17.484   7.6045 -2.924913 10.20240 
1 1 1    6   25    2 o   16.115   6.6736   0.8473   2.7578   1.3760   3.8299   0.2780   3.9743   18.998   7.8656   17.975   7.7500 1.022699 11.04222 
1 1 1    6   25    3 o   22.468   7.1255   4.2692   2.8195   1.4317   4.0021   7.0655   3.9728   19.348   8.0283   28.172   8.3737 -8.823643 11.60052 
1 1 1    6   25    4 o   26.186   6.8901   5.9893   2.8691   2.4156   4.0339   9.6482   4.0817   20.629   8.2438   32.854   7.9940 -12.22497 11.48321 
1 1 1    6   25    5 o   30.003   6.3107   7.7664   2.8769   3.4222   4.0689   12.109   4.0683   22.031   8.4300   37.210   7.2276 -15.17846 11.10419 
1 1 1    6   25    6 o   35.558   5.6818   10.686   3.0639   9.2908   4.0693   12.511   4.6555   32.060   8.0896   37.255   8.1869 -5.195026 11.50945 
1 1 1    6   25    7 o   20.749   7.0991   3.5299   2.7803  -0.7884   3.9324   7.8463   3.9315   16.614   7.4145   29.352   8.2136 -12.73795 11.06518 
1 1 1    6   25    8 f   29.766   6.6280   7.7915   3.0165   2.7239   4.2921   12.738   4.2404   21.129   8.4832   37.837   7.4066 -16.70839 11.26153 
1 1 1    6   25    9 o   27.278   7.5127   6.7447   3.3180   4.8062   4.5431   8.9604   4.8573   24.114   8.9775   30.649   9.2933 -6.534863 12.92132 
1 1 1    6   25   10 o   19.707   7.3495   2.9413   3.0473   5.9474   4.3115  -0.0593   4.3076   25.603   8.8375   17.839   7.8710 7.764029 11.83444 
1 1 1    6   25   11 o   17.419   7.3818   0.9873   3.4948   3.3227   5.0216  -1.2064   4.8669   22.321   9.0980   17.712   8.0447 4.608665 12.14458 
1 1 1    6   25   12 o   13.021   6.0916  -2.3447   3.1017  -0.3669   4.3176  -4.4539   4.4588   17.362   7.7573   14.580   6.9619 2.782101 10.42319 
1 1 1    6   25   13 o   28.766   7.0918   7.6626   3.1807   4.5163   4.4190   11.045   4.5819   22.943   8.7836   33.531   8.6504 -10.58809 12.32806 
1 1 1    6   25   14 o   13.784   6.3015  -1.1775   3.0482   3.0334   4.2393  -5.6846   4.3859   20.540   8.3642   13.530   6.5702 7.009949 10.63612 
1 1 1    6   25   15 o   31.774   6.7027   9.4286   3.2368   8.0653   4.5127   10.873   4.6453   27.603   9.0384   32.218   8.8955 -4.615520 12.68161 
1 1 1    6   25   16 o   31.377   6.5322   9.3678   3.1117   13.100   4.5549   6.1019   4.2610   35.346   8.3461   23.859   8.7273 11.48691 12.07570 
1 1 1    6   25   17 o   17.561   6.9222   2.6487   2.8073   4.0926   4.0328   1.2913   3.9103   20.317   8.1999   16.968   7.4924 3.349005 11.10737 
1 1 1    6   25   18 o   18.792   6.9339   3.5941   2.6992   4.7258   3.7875   2.4260   3.8478   20.540   8.0574   17.633   7.6143 2.906870 11.08602 
1 1 1    6   25   19 o   14.904   6.3731   1.4465   2.6461   1.0552   3.7166   1.8488   3.7682   15.692   7.0882   16.516   7.3209 -0.8242092 10.19009 
1 1 1    6   25   20 o   10.754   5.1743  -2.2774   2.5689  -1.8595   3.6366  -2.6936   3.6292   13.053   6.2474   12.518   6.0545 0.5340776 8.699786 
1 1 1    6   25   21 o   10.414   5.0389  -2.4305   2.5213  -0.0036   3.6029  -4.7594   3.5294   14.102   6.5867   11.084   5.4835 3.018312 8.570463 
1 1 1    6   25   22 o   11.262   5.3301  -0.8930   2.5002  -0.8808   3.5278  -0.9053   3.5439   12.792   6.1309   12.795   6.1356 -0.3025055E-02 8.673699 
1 1 1    6   25   23 o   11.281   5.3402  -0.3461   2.5119  -0.5941   3.5959  -0.1098   3.5104   12.354   5.9873   12.575   6.0498 -0.2207022 8.511580 
1 1 1    6   26    0 o   15.155   9.7774   0.7698   5.4002   0.7698   5.4002   0.7698   5.4002   15.155   9.7774   15.155   9.7774 0.000000 0.000000 
1 1 1    6   26    1 f   27.900   8.3178   7.0985   3.9154   6.7703   5.5993   7.4126   5.4772   27.608   10.019   28.455   9.9527 -0.8467255 14.12190 
1 1 1    6   26    2 o   16.923   7.2595   0.4637   3.4535  -3.4251   4.7594   4.7879   5.0188   16.132   7.5464   24.598   9.3745 -8.466286 12.03455 
1 1 1    6   26    3 o   12.908   6.1483  -3.7902   3.4330  -0.4851   4.8425  -7.1298   4.8677   18.549   8.2561   14.190   6.8978 4.358603 10.75835 
1 1 1    6   26    4 o   20.696   7.6138   3.3145   3.2505   4.3989   4.4951   2.1258   4.7060   23.553   8.8960   20.906   8.6929 2.647142 12.43809 
1 1 1    6   26    5 o   17.199   6.9228   1.5621   2.8660   4.0784   4.1763  -0.6777   3.9402   22.755   8.5792   16.611   7.4169 6.143377 11.34076 
1 1 1    6   26    6 o   13.598   6.1328  -0.9639   2.7696  -2.8967   3.8923   1.0183   3.9417   14.579   6.8216   18.359   7.8120 -3.779123 10.37118 
1 1 1    6   26    7 o   20.116   7.1831   3.2848   2.8649   3.8450   4.0332   2.7144   4.0702   22.136   8.4115   20.591   8.2631 1.544802 11.79119 
1 1 1    6   26    8 o   27.963   7.0344   7.1018   3.0836   13.554   4.4158   0.9611   4.3080   38.544   7.5706   18.770   8.0805 19.77433 11.07291 
1 1 1    6   26    9 o   11.877   5.7235  -4.1306   3.1730  -2.3204   4.5079  -5.9081   4.4671   16.119   7.4740   13.786   6.6792 2.333199 10.02366 
1 1 1    6   26   10 o   16.698   6.8107   1.4575   2.8163   3.6589   3.9999  -0.7069   3.9661   21.507   8.3245   16.342   7.3575 5.165085 11.10991 
1 1 1    6   26   11 o   22.918   7.0317   4.8333   2.7700   5.8934   3.9019   3.7562   3.9332   24.832   8.4115   21.431   8.2656 3.401127 11.79291 
1 1 1    6   26   12 o   18.960   7.0676   2.9420   2.8174   4.9197   4.0162   1.0256   3.9534   22.985   8.4619   17.784   7.6988 5.200552 11.44014 
1 1 1    6   26   13 o   17.082   6.8384   1.9661   2.7806   5.9859   3.9386  -2.0283   3.9261   24.408   8.4457   14.773   6.8921 9.635047 10.90095 
1 1 1    6   26   14 f   15.378   6.5756   0.9210   2.8170   2.1538   3.9627  -0.3386   4.0053   18.522   7.8553   16.053   7.2938 2.469641 10.71937 
1 1 1    6   26   15 o   21.226   7.0703   4.5569   2.7576  -0.0290   3.8251   9.5201   3.9793   15.682   7.1262   29.401   8.2763 -13.71903 10.92154 
1 1 1    6   26   16 o   13.060   5.9432  -0.3731   2.6722   1.1687   3.7958  -1.8879   3.7625   16.411   7.3068   13.796   6.5322 2.614965 9.800923 
1 1 1    6   26   17 o   12.430   5.7614  -0.7994   2.6746  -1.2201   3.7414  -0.3597   3.8248   13.959   6.5805   14.732   6.8493 -0.7726622 9.498237 
1 1 1    6   26   18 o   14.618   6.3370   1.2979   2.6860   0.3867   3.7911   2.2163   3.8061   15.007   6.9215   16.713   7.3853 -1.706244 10.12173 
1 1 1    6   26   19 o   17.112   6.8073   3.1025   2.7380  -0.3216   4.0453   5.9975   3.7195   14.525   6.8458   21.174   8.0702 -6.648430 10.58267 
1 1 1    6   26   20 o   12.237   5.6640  -0.2848   2.5721   0.0118   3.6706  -0.5709   3.6053   14.021   6.5808   13.514   6.3973 0.5067682 9.177850 
1 1 1    6   26   21 o   15.139   6.3770   2.5858   2.5826   0.4513   3.5923   4.8694   3.7155   13.545   6.4043   17.696   7.5590 -4.150985 9.907258 
1 1 1    6   26   22 o   10.899   5.2518  -0.9843   2.6695  -0.2609   3.6720  -1.7950   3.8876   12.457   6.0404   11.849   5.8422 0.6081419 8.403417 
1 1 1    6   27    0 o   11.129   7.5053  -1.2143   3.7918  -1.2143   3.7918  -1.2143   3.7918   11.129   7.5053   11.129   7.5053 -0.000000 0.000000 
1 1 1    6   27    1 o   10.110   4.9670  -5.1065   2.7301  -2.6461   3.8329  -7.6401   3.8895   14.569   6.8013   11.736   5.7969 2.833833 8.936585 
1 1 1    6   27    2 o   14.588   6.3798  -0.0762   2.7735   0.4219   3.9441  -0.5635   3.9010   17.586   7.6508   16.503   7.3735 1.082607 10.62560 
1 1 1    6   27    3 o   20.218   7.1748   3.3856   2.8540   4.7842   4.0282   1.9758   4.0442   23.440   8.4987   19.503   8.0795 3.937481 11.72631 
1 1 1    6   27    4 o   10.591   5.1813  -4.9349   2.8748  -4.2876   3.9844  -5.6377   4.1518   13.712   6.5565   13.283   6.4363 0.4290619 9.187706 
1 1 1    6   27    5 o   19.444   7.1792   2.9927   2.8944   5.2625   4.1004   0.7384   4.0863   24.105   8.5950   18.056   7.8218 6.048594 11.62132 
1 1 1    6   27    6 o   37.513   5.3625   12.071   3.0671   12.533   4.2311   11.559   4.4526   36.768   7.5847   34.758   8.2814 2.010544 11.22984 
1 1 1    6   27    7 o   12.428   5.8590  -2.5831   2.9672   1.6582   4.2121  -6.7611   4.1805   19.133   8.1058   12.681   6.2133 6.451419 10.21318 
1 1 1    6   27    8 o   10.429   5.1468  -5.8892   3.0405  -7.1338   4.2979  -4.6423   4.3018   12.707   6.2409   14.016   6.7312 -1.308815 9.179204 
1 1 1    6   27    9 o   17.643   7.4627   1.3966   3.5608   1.5579   4.9657   1.2258   5.1088   19.735   8.5852   19.601   8.6130 0.1337070 12.16096 
1 1 1    6   27   10 o   16.466   6.9349   1.2111   3.0537  -1.7638   4.2450   4.4016   4.3961   15.639   7.2519   22.238   8.6932 -6.599210 11.32084 
1 1 1    6   27   11 o   17.046   7.0073   1.7744   3.0106  -1.9110   4.2364   5.5351   4.2794   15.365   7.1652   23.517   8.7210 -8.152065 11.28700 
1 1 1    6   27   12 o   13.009   6.0575  -1.5706   3.0092  -3.8603   4.2183   0.8020   4.2941   13.833   6.6492   17.431   7.7654 -3.597286 10.22316 
1 1 1    6   27   13 o   16.241   6.8170   1.6558   2.9348  -0.7033   4.2678   3.7722   4.0422   15.749   7.2920   19.999   8.1585 -4.249758 10.94235 
1 1 1    6   27   14 o   13.253   6.0548  -0.4631   2.8085   2.1299   3.9867  -3.0181   3.9573   17.610   7.6761   13.404   6.4421 4.206136 10.02113 
1 1 1    6   27   15 o   16.045   6.6465   2.0685   2.7367   2.1473   3.9056   1.9925   3.8358   17.142   7.5317   16.927   7.4495 0.2159081 10.59350 
1 1 1    6   27   16 o   10.424   5.0743  -3.1293   2.6602  -3.3668   3.7583  -2.8908   3.7659   12.432   6.0472   12.715   6.1539 -0.2829342 8.627795 
1 1 1    6   27   17 o   12.745   5.8865  -0.3297   2.7555   1.9789   3.9826  -2.4496   3.8165   16.356   7.3675   12.884   6.2256 3.472422 9.645648 
1 1 1    6   27   18 o   13.545   6.3260  -0.2264   3.3223  -0.1322   4.7001  -0.3204   4.6968   15.078   7.1854   14.964   7.1452 0.1144943 10.13332 
1 1 1    6   27   19 o   9.1743   4.5909  -5.3545   2.7789  -8.7006   3.9790  -2.1684   3.8827   10.133   5.1244   12.626   6.1428 -2.493131 7.999610 
1 1 1    6   27   20 o   11.561   5.4886  -0.4818   2.6910  -1.1024   3.7406   0.1839   3.8743   12.388   6.0275   13.253   6.3709 -0.8650007 8.770383 
1 1 1    6   27   21 o   9.7833   4.8138  -2.3435   2.5949  -4.3768   3.7172  -0.4110   3.6240   10.448   5.2400   12.143   5.9138 -1.695045 7.901278 
1 1 1    6   28    0 o   10.199   7.0789  -2.7526   3.9603  -2.7526   3.9603  -2.7526   3.9603   10.199   7.0789   10.199   7.0789 -0.000000 0.000000 
1 1 1    6   28    1 o   12.256   5.7545  -2.2602   2.8109  -2.3766   3.9649  -2.1426   3.9856   14.839   6.9240   15.061   6.9985 -0.2214899 9.844861 
1 1 1    6   28    2 o   12.253   5.7679  -2.3950   2.8560   2.5632   4.0671  -7.2186   4.0115   19.908   8.1597   12.058   5.9430 7.850039 10.09456 
1 1 1    6   28    3 o   12.695   5.9119  -1.9087   2.8679   1.6794   4.0315  -5.5848   4.0805   18.757   7.9375   13.003   6.3195 5.753594 10.14593 
1 1 1    6   28    4 o   10.783   5.2964  -5.4505   3.0984  -5.8941   4.1299  -4.8794   4.6860   12.917   6.2954   14.563   7.0021 -1.646461 9.416036 
1 1 1    6   28    5 f   26.310   6.9565   6.5115   2.9156   5.0772   4.1128   7.9606   4.1339   23.247   8.5623   28.064   8.5863 -4.816616 12.12593 
1 1 1    6   28    6 o   13.306   6.1088  -1.2544   2.9057   0.7518   4.0932  -3.2924   4.1254   17.615   7.7257   14.336   6.8031 3.278292 10.29408 
1 1 1    6   28    7 o   15.052   6.5519   0.3939   2.8956  -7.1687   4.0877   8.0109   4.1024   12.092   5.9672   27.850   8.5596 -15.75864 10.43425 
1 1 1    6   28    8 o   13.039   6.0139  -1.3080   2.8623   2.0573   4.1350  -4.4041   3.9662   18.817   8.0039   13.187   6.3660 5.629569 10.22683 
1 1 1    6   28    9 o   11.887   5.7343  -3.6814   3.2050  -3.9256   4.5141  -3.4332   4.5512   14.363   6.8974   14.715   7.0284 -0.3515434 9.847425 
1 1 1    6   28   10 o   11.833   5.6280  -2.4254   2.8560  -3.4497   4.0718  -1.4335   4.0069   13.652   6.5544   14.899   6.9546 -1.246562 9.556523 
1 1 1    6   28   11 o   15.676   6.7112   1.3255   2.9408  -1.0000   4.1365   3.7023   4.1819   15.187   7.0817   19.742   8.2005 -4.555326 10.83507 
1 1 1    6   28   12 o   19.326   7.2461   3.8702   2.9703   4.1044   4.2627   3.6492   4.1413   19.813   8.2587   19.245   8.0890 0.5682507 11.56022 
1 1 1    6   28   13 f   17.803   7.1167   3.1491   3.0071   7.7717   4.3046  -1.2571   4.2027   24.203   8.7840   14.573   6.9011 9.630444 11.17068 
1 1 1    6   28   14 o   14.784   6.5296   1.1405   2.9717   4.1874   4.2055  -1.8980   4.1998   18.977   8.0720   13.915   6.6743 5.062247 10.47393 
1 1 1    6   28   15 o   12.217   5.7831  -1.3065   2.9457  -0.8361   4.1406  -1.7885   4.1915   14.300   6.7945   13.772   6.6219 0.5280647 9.487654 
1 1 1    6   28   16 o   21.369   7.3597   5.6916   2.9896   1.8977   4.2081   9.5578   4.2480   16.167   7.3957   25.476   8.7731 -9.309113 11.47447 
1 1 1    6   28   17 o   16.121   6.7489   2.7780   2.8650   4.3219   4.1148   1.3254   3.9914   17.957   7.8133   15.189   7.0393 2.767960 10.51667 
1 1 1    6   28   18 o   11.290   5.4311  -1.3860   2.8273  -2.3829   4.0997  -0.4819   3.9043   12.391   6.0875   13.207   6.3605 -0.8160391 8.804167 
1 1 1    6   28   19 o   12.228   5.8619  -0.0708   3.2291   0.3960   4.5124  -0.5608   4.6228   13.364   6.5280   12.985   6.3961 0.3785954 9.139189 
1 1 1    6   29    0 f   8.7967   6.3043  -5.5928   4.0766  -5.5928   4.0766  -5.5928   4.0766   8.7967   6.3043   8.7967   6.3043 0.000000 0.000000 
1 1 1    6   29    1 o   14.021   6.3048  -0.4323   2.9022   4.0222   4.1429  -4.7245   4.0668   21.255   8.3996   13.203   6.3912 8.052183 10.55468 
1 1 1    6   29    2 o   25.548   7.1227   6.3636   2.9624   9.7254   4.2233   3.1075   4.1564   30.481   8.5068   20.045   8.2361 10.43548 11.84059 
1 1 1    6   29    3 o   26.513   7.6862   7.0914   3.3831   4.9223   4.7158   9.3914   4.8560   22.557   8.9466   28.965   9.3683 -6.407885 12.95397 
1 1 1    6   29    4 o   16.202   7.2020   0.3681   3.6726   0.6170   5.7256   0.1941   4.7872   19.057   8.6830   17.649   8.0012 1.408606 11.80733 
1 1 1    6   29    5 o   16.751   7.1529   1.4182   3.3250   3.9417   4.7163  -1.0754   4.6883   21.046   8.7226   16.412   7.6142 4.634390 11.57840 
1 1 1    6   29    6 o   28.005   7.5716   8.1234   3.4067   4.3088   4.8060   11.976   4.8296   21.213   8.7995   32.352   9.1215 -11.13928 12.67413 
1 1 1    6   29    7 o   12.766   6.0024  -1.7926   3.0769  -3.5992   4.3894  -0.0473   4.3144   14.006   6.7452   16.304   7.4696 -2.297334 10.06440 
1 1 1    6   29    8 o   17.047   7.0671   2.2444   3.0972  -0.2249   4.3947   4.6812   4.3656   16.059   7.4229   20.876   8.4927 -4.816599 11.27943 
1 1 1    6   29    9 o   19.589   7.3703   4.0224   3.0788   4.4188   4.6372   3.7099   4.1172   20.247   8.5377   19.315   8.0886 0.9313927 11.76086 
1 1 1    6   29   10 o   14.815   6.4641   1.0875   2.8330   1.7423   4.0137   0.4374   3.9993   16.826   7.5011   15.641   7.1756 1.184680 10.38051 
1 1 1    6   29   11 f   16.701   6.8473   2.5885   2.8651  -1.8618   4.0407   7.0886   4.0632   13.809   6.6028   23.106   8.5105 -9.296795 10.77156 
1 1 1    6   29   12 o   11.634   5.5421  -1.7431   2.7917  -0.9997   3.9867  -2.4584   3.9105   14.101   6.6902   13.081   6.3161 1.019950 9.200672 
1 1 1    6   29   13 o   14.798   6.4509   1.5177   2.8160   5.8496   4.0332  -2.6028   3.9335   20.528   8.2297   12.888   6.2499 7.639546 10.33391 
1 1 1    6   29   14 o   19.046   7.0533   4.3779   2.7974   3.8557   3.9231   4.9181   3.9901   17.867   7.7017   19.082   7.9748 -1.214687 11.08666 
1 1 1    6   29   15 o   14.913   6.4521   1.9255   2.7735   2.5576   3.9324   1.2998   3.9122   16.198   7.3064   15.105   6.9895 1.093396 10.11125 
1 1 1    6   29   16 o   9.8229   4.8450  -3.3997   2.6828  -2.2256   3.7532  -4.6263   3.8362   12.180   5.9505   11.171   5.5592 1.008270 8.143275 
1 1 1    6   29   17 o   17.194   6.8059   4.3824   2.7239   5.7126   3.8310   3.0224   3.8738   17.558   7.5898   14.985   6.9414 2.573224 10.28535 
1 1 1    6   29   18 o   11.454   5.4737  -0.0792   2.7680   0.0735   4.0198  -0.2169   3.8172   12.521   6.1258   12.248   5.9877 0.2721491 8.566074 
1 1 1    6   30    0 o   13.840   8.8076   1.9545   4.1991   1.9545   4.1991   1.9545   4.1991   13.840   8.8076   13.840   8.8076 -0.000000 0.000000 
1 1 1    6   30    1 o   10.283   5.0675  -4.8066   2.9130  -4.9910   4.1179  -4.6219   4.1213   12.657   6.1942   12.849   6.2684 -0.1920338 8.812556 
1 1 1    6   30    2 o   11.193   5.4120  -3.1970   2.8943  -2.8482   4.0638  -3.5559   4.1232   13.716   6.5753   13.398   6.4736 0.3171864 9.227182 
1 1 1    6   30    3 o   11.201   5.4661  -4.0393   3.1420  -1.4761   4.4085  -6.6854   4.4793   15.068   7.1154   12.452   6.1635 2.616414 9.413713 
1 1 1    6   30    4 o   10.861   5.3338  -4.5613   3.1375 -10.5319   4.4664   1.2550   4.4083   11.029   5.5591   17.038   7.7057 -6.009048 9.501610 
1 1 1    6   30    5 o   20.640   7.7855   4.7992   3.4403   2.2820   5.2766   6.6604   4.5373   18.362   8.3544   22.768   8.8513 -4.405519 12.17128 
1 1 1    6   30    6 o   18.094   7.2494   3.2852   3.1275   2.9310   4.4038   3.6458   4.4423   18.215   8.0005   18.949   8.1819 -0.7335968 11.44341 
1 1 1    6   30    7 o   12.092   5.7997  -2.3462   3.1697  -1.0175   4.4612  -3.7008   4.5043   14.945   7.0869   13.490   6.5750 1.454621 9.667166 
1 1 1    6   30    8 o   14.334   6.5263   0.4035   3.2275   1.4131   4.6483  -0.5363   4.4849   16.617   7.6641   15.107   7.1464 1.510378 10.47905 
1 1 1    6   30    9 o   11.710   5.6932  -3.0945   3.3208  -5.3231   5.5159  -1.8275   4.1589   13.755   6.8140   13.756   6.6097 -0.1570702E-02 9.493063 
1 1 1    6   30   10 o   22.463   7.5417   6.3208   3.1367   5.7239   4.4571   6.9065   4.4151   20.067   8.4104   21.528   8.6174 -1.461147 12.04135 
1 1 1    6   30   11 o   11.376   5.5214  -2.6790   3.0873  -6.1474   4.3259   0.9216   4.4076   11.730   5.8479   15.492   7.2519 -3.761305 9.316013 
1 1 1    6   30   12 o   15.281   6.8366   1.7826   3.3657   3.2651   4.7173   0.2453   4.8036   17.180   7.8482   15.168   7.2381 2.011842 10.67635 
1 1 1    6   30   13 o   14.865   6.6729   1.7130   3.2357   4.1716   4.6478  -0.5993   4.5073   17.513   7.9172   14.174   6.8284 3.338722 10.45508 
1 1 1    6   30   14 o   11.507   5.5994  -2.0611   3.2303   0.6613   4.6107  -4.6858   4.5272   14.446   6.9457   11.952   5.9622 2.494024 9.153731 
1 1 1    6   30   15 o   15.788   6.9186   3.7509   3.2762   3.1655   4.2700   4.5887   5.1084   15.058   7.0771   15.842   7.5327 -0.7839136 10.33570 
1 1 1    6   30   16 o   12.873   6.0591   1.3542   3.1503   0.3809   4.3690   2.4083   4.5466   12.850   6.3072   13.898   6.7348 -1.048366 9.227029 
1 1 1    6   31    0 o   13.583   8.6973   2.2923   4.1718   2.2923   4.1718   2.2923   4.1718   13.583   8.6973   13.583   8.6973 -0.000000 0.000000 
1 1 1    6   31    1 o   12.992   6.0241  -0.4839   2.9287   1.4940   4.1801  -2.3909   4.1045   16.250   7.4096   13.444   6.4864 2.805771 9.847613 
1 1 1    6   31    2 o   14.466   6.4426   0.9517   2.9534   1.6882   4.1738   0.2131   4.1796   16.370   7.4409   15.201   7.0983 1.168101 10.28363 
1 1 1    6   31    3 o   13.479   6.1863   0.0126   2.9771  -0.9540   4.2237   0.9670   4.1970   14.394   6.8457   15.731   7.2652 -1.337149 9.982349 
1 1 1    6   31    4 o   10.400   5.1322  -4.3686   3.0243 -10.7419   4.4033   1.3227   4.1610   10.506   5.3215   15.901   7.3039 -5.395668 9.036886 
1 1 1    6   31    5 o   14.173   6.7484  -0.9011   4.1281   0.2431   5.9949  -1.9329   5.6929   16.363   7.8807   15.147   7.3845 1.215530 10.79980 
1 1 1    6   31    6 o   19.288   7.5599   4.6997   3.3319   3.9129   4.6781   5.5097   4.7467   18.087   8.0783   19.578   8.4556 -1.491030 11.69423 
1 1 1    6   31    7 o   10.312   5.1288  -5.2397   3.2480  -2.9925   4.5699  -7.5337   4.6171   13.368   6.5386   11.639   5.8378 1.728817 8.765483 
1 1 1    6   31    8 o   10.149   5.0627  -5.5994   3.2649  -7.6807   4.5242  -3.3377   4.7164   11.409   5.7300   13.298   6.5327 -1.889371 8.689589 
1 1 1    6   31    9 o   9.9270   4.9548  -5.4803   3.1455  -3.3495   4.6246  -7.3147   4.2909   13.091   6.4384   11.134   5.5904 1.956911 8.526784 
1 1 1    6   31   10 o   12.147   5.7692  -0.9650   2.9796  -1.7064   4.1792  -0.1986   4.2492   13.238   6.4250   14.174   6.7758 -0.9356861 9.337636 
1 1 1    6   31   11 o   11.701   5.5713  -0.9748   2.8131  -0.6814   3.9530  -1.2759   4.0040   13.333   6.4160   13.041   6.3195 0.2925348 9.005630 
1 1 1    6   31   12 o   9.3584   4.6655  -4.2682   2.7531  -4.7160   3.9059  -3.8261   3.8813   10.982   5.4876   11.305   5.6200 -0.3226757 7.854788 
1 1 1    6   31   13 o   11.110   5.3628  -0.9222   2.8138   0.8179   4.0270  -2.5823   3.9332   13.252   6.4013   11.501   5.7073 1.750473 8.576144 
1 1 1    6   31   14 o   13.755   6.1901   2.5202   2.8041   1.7774   3.9378   3.2842   3.9939   13.287   6.3964   14.257   6.7443 -0.9697733 9.295156 
1 1 1    6   32    0 o   8.4829   6.1208  -5.1496   4.1435  -5.1496   4.1435  -5.1496   4.1435   8.4829   6.1208   8.4829   6.1208 0.000000 0.000000 
1 1 1    6   32    1 o   9.8944   4.9421  -5.6132   3.1541  -3.7248   4.4487  -7.5220   4.4726   12.737   6.2740   11.334   5.6929 1.403007 8.471834 
1 1 1    6   32    2 o   12.432   5.9267  -1.2083   3.2047  -5.2907   4.5263   2.8952   4.5380   12.179   6.0568   16.736   7.6649 -4.556880 9.769162 
1 1 1    6   32    3 o   19.289   7.5077   4.9885   3.2674   3.3656   4.6096   6.6274   4.6321   17.078   7.7850   20.135   8.5140 -3.057011 11.53665 
1 1 1    6   32    4 o   13.322   6.2975  -0.4046   3.4706  -1.3603   4.9457   0.5226   4.8715   14.248   6.9320   15.183   7.2571 -0.9345417 10.03579 
1 1 1    6   32    5 o   10.677   5.3084  -4.9270   3.4653 -11.0973   4.6951   2.4564   5.1359   10.538   5.3540   16.358   7.7108 -5.820415 9.387340 
1 1 1    6   32    6 o   16.795   7.1748   3.4854   3.3482   3.6845   4.7545   3.2895   4.7160   16.956   7.7952   16.657   7.6958 0.2983856 10.95404 
1 1 1    6   32    7 o   12.902   6.0765  -0.1279   3.1772  -2.3922   4.6916   1.7902   4.3181   13.199   6.4901   15.243   7.1490 -2.044126 9.655561 
1 1 1    6   32    8 o   14.339   6.4578   1.8051   3.0585  -3.2190   4.3858   6.5615   4.2674   12.323   6.0995   19.088   8.1256 -6.764952 10.16013 
1 1 1    6   32    9 o   13.824   6.4124   1.5192   3.3234   2.8657   5.0860   0.5158   4.3904   15.213   7.3096   13.731   6.6455 1.481806 9.878862 
1 1 1    6   32   10 o   10.842   5.3002  -1.7062   2.9910  -2.4595   4.2234  -0.9483   4.2366   11.813   5.8711   12.468   6.1378 -0.6543236 8.493651 
1 1 1    6   32   11 o   12.195   5.7946   0.6689   3.0122   3.6823   4.2953  -2.2470   4.2252   14.558   6.9181   11.593   5.7796 2.965295 9.014632 
1 1 1    6   32   12 f   13.361   6.1226   2.4075   2.9004   1.6387   4.0858   3.1886   4.1180   12.953   6.3016   13.837   6.6297 -0.8843737 9.146750 
1 1 1    6   33    0 o   8.5081   6.1276  -4.1408   4.0638  -4.1408   4.0638  -4.1408   4.0638   8.5081   6.1276   8.5081   6.1276 -0.000000 0.000000 
1 1 1    6   33    1 o   8.7104   4.3949  -6.2595   2.8308  -8.3797   3.9208  -3.9506   4.0915   9.8498   4.9928   11.574   5.7565 -1.724280 7.620054 
1 1 1    6   33    2 o   10.410   5.1161  -2.7879   2.9035  -3.5457   4.1429  -2.0564   4.0703   11.752   5.8364   12.330   6.0594 -0.5774994 8.413040 
1 1 1    6   33    3 o   10.547   5.1628  -2.3370   2.8669  -1.6822   4.1042  -2.9609   4.0064   12.438   6.1070   11.758   5.8216 0.6805248 8.437204 
1 1 1    6   33    4 o   13.306   6.1036   1.3619   2.8926   3.5979   4.1106  -0.8316   4.0713   15.514   7.1736   12.684   6.1970 2.829566 9.479636 
1 1 1    6   33    5 o   12.020   5.7048   0.0921   2.9028   2.7717   4.0596  -2.7111   4.1522   14.603   6.8750   11.722   5.8248 2.881709 9.010715 
1 1 1    6   33    6 o   13.879   6.2741   2.3492   2.9182   3.9004   4.1112   0.7739   4.1430   15.081   7.0413   13.113   6.3718 1.967521 9.496265 
1 1 1    6   33    7 o   10.109   4.9964  -2.4264   2.9051  -6.7872   4.0694   2.1057   4.1485   9.9688   5.0566   13.592   6.5488 -3.623676 8.273873 
1 1 1    6   33    8 o   9.7370   4.8331  -2.6796   2.8277  -0.7018   3.9908  -4.6738   4.0072   11.837   5.8516   10.370   5.2320 1.466590 7.849513 
1 1 1    6   33    9 o   22.358   7.4125   8.8129   3.0318   12.087   4.4061   5.8686   4.1782   21.013   8.5380   15.413   7.1636 5.599030 11.14518 
1 1 1    6   34    0 o   9.3195   6.6046  -0.7992   4.0252  -0.7992   4.0252  -0.7992   4.0252   9.3195   6.6046   9.3195   6.6046 -0.000000 0.000000 
1 1 1    6   34    1 o   12.505   5.8771   1.6091   2.9445  -0.6062   4.0575   4.0736   4.2797   11.742   5.8216   14.149   6.7735 -2.406719 8.931502 
1 1 1    6   34    2 o   12.205   5.7661   1.3056   2.9018   5.2600   4.1407  -2.5108   4.0678   14.951   7.0085   10.982   5.5040 3.969312 8.911388 
1 1 1    6   34    3 o   10.667   5.2581  -1.2755   3.1434   2.3744   4.1670  -6.0954   4.7885   13.085   6.3654   10.475   5.3307 2.609728 8.302693 
1 1 1    6   34    4 o   10.384   5.1747  -2.2659   3.3725  -5.6099   4.6938   1.3026   4.8488   10.472   5.3239   12.613   6.2723 -2.141376 8.227156 
1 1 1    7    0    1 f  383.979   3.4278  1157.42   20.652  1157.42   20.652  1157.42   20.652  383.979   3.4278  383.979   3.4278 0.000000 0.000000 
1 1 1    7    0    2 o   41.494   3.4886   13.797   2.2333   13.797   2.2333   13.797   2.2333   41.494   3.4886   41.494   3.4886 -0.000000 0.000000 
1 1 1    7    0    3 o  266.675   2.2866  558.195   9.5676  558.195   9.5676  558.195   9.5676  266.675   2.2866  266.675   2.2866 0.000000 0.000000 
1 1 1    7    0    4 f   87.066   1.7632   59.558   2.4069   59.558   2.4069   59.558   2.4069   87.066   1.7632   87.066   1.7632 -0.000000 0.000000 
1 1 1    7    0    5 o  397.181   2.4824  1238.16   15.471  1238.16   15.471  1238.16   15.471  397.181   2.4824  397.181   2.4824 0.000000 0.000000 
1 1 1    7    0    6 o  280.650   2.0349  618.194   8.9611  618.194   8.9611  618.194   8.9611  280.650   2.0349  280.650   2.0349 -0.000000 0.000000 
1 1 1    7    0    7 o  247.992   2.2380  482.741   8.7081  482.741   8.7081  482.741   8.7081  247.992   2.2380  247.992   2.2380 0.000000 0.000000 
1 1 1    7    0    8 o  144.230   2.4382  163.388   5.5150  163.388   5.5150  163.388   5.5150  144.230   2.4382  144.230   2.4382 -0.000000 0.000000 
1 1 1    7    0    9 o  746.293   4.7277  4372.61   55.365  4372.61   55.365  4372.61   55.365  746.293   4.7277  746.293   4.7277 0.000000 0.000000 
1 1 1    7    0   10 o   85.495   2.2662   57.479   3.0357   57.479   3.0357   57.479   3.0357   85.495   2.2662   85.495   2.2662 -0.000000 0.000000 
1 1 1    7    0   11 f   82.185   1.9772   53.094   2.5467   53.094   2.5467   53.094   2.5467   82.185   1.9772   82.185   1.9772 0.000000 0.000000 
1 1 1    7    0   12 f   18.659   6.7739   3.6325   1.8227   3.6325   1.8227   3.6325   1.8227   18.659   6.7739   18.659   6.7739 -0.000000 0.000000 
1 1 1    7    0   13 o  297.230   2.1028  693.368   9.8075  693.368   9.8075  693.368   9.8075  297.230   2.1028  297.230   2.1028 0.000000 0.000000 
1 1 1    7    0   14 f  435.647   2.6563  1489.59   18.159  1489.59   18.159  1489.59   18.159  435.647   2.6563  435.647   2.6563 -0.000000 0.000000 
1 1 1    7    0   15 o  253.084   2.2528  502.775   8.9459  502.775   8.9459  502.775   8.9459  253.084   2.2528  253.084   2.2528 -0.000000 0.000000 
1 1 1    7    0   16 o   86.001   1.9709   58.135   2.6568   58.135   2.6568   58.135   2.6568   86.001   1.9709   86.001   1.9709 0.000000 0.000000 
1 1 1    7    0   17 o   57.043   2.4723   25.686   2.2037   25.686   2.2037   25.686   2.2037   57.043   2.4723   57.043   2.4723 -0.000000 0.000000 
1 1 1    7    0   18 o   33.183   3.6693   8.9638   1.8512   8.9638   1.8512   8.9638   1.8512   33.183   3.6693   33.183   3.6693 0.000000 0.000000 
1 1 1    7    0   19 o  106.548   1.8557   89.200   3.1008   89.200   3.1008   89.200   3.1008  106.548   1.8557  106.548   1.8557 -0.000000 0.000000 
1 1 1    7    0   20 o   76.209   2.3337   45.742   2.7850   45.742   2.7850   45.742   2.7850   76.209   2.3337   76.209   2.3337 -0.000000 0.000000 
1 1 1    7    0   21 f   18.052   7.2130   3.5656   1.9798   3.5656   1.9798   3.5656   1.9798   18.052   7.2130   18.052   7.2130 -0.000000 0.000000 
1 1 1    7    0   22 o   50.144   4.0313   20.194   3.1237   20.194   3.1237   20.194   3.1237   50.144   4.0313   50.144   4.0313 0.000000 0.000000 
1 1 1    7    0   23 o   51.256   2.4827   20.801   1.9863   20.801   1.9863   20.801   1.9863   51.256   2.4827   51.256   2.4827 -0.000000 0.000000 
1 1 1    7    0   24 o   69.501   2.0231   38.066   2.2023   38.066   2.2023   38.066   2.2023   69.501   2.0231   69.501   2.0231 -0.000000 0.000000 
1 1 1    7    0   25 o   16.153   6.0300   2.7905   1.4234   2.7905   1.4234   2.7905   1.4234   16.153   6.0300   16.153   6.0300 0.000000 0.000000 
1 1 1    7    0   26 o   13.528   5.7936   2.0797   1.2564   2.0797   1.2564   2.0797   1.2564   13.528   5.7936   13.528   5.7936 0.000000 0.000000 
1 1 1    7    0   27 o   12.270   7.6419   0.9675   2.9796   0.9675   2.9796   0.9675   2.9796   12.270   7.6419   12.270   7.6419 0.000000 0.000000 
1 1 1    7    0   28 o   8.3801   5.8643  -2.6834   2.8738  -2.6834   2.8738  -2.6834   2.8738   8.3801   5.8643   8.3801   5.8643 -0.000000 0.000000 
1 1 1    7    0   29 o   11.372   7.3271   0.3717   3.0197   0.3717   3.0197   0.3717   3.0197   11.372   7.3271   11.372   7.3271 0.000000 0.000000 
1 1 1    7    0   30 f   21.399   8.9030   5.6096   2.9824   5.6096   2.9824   5.6096   2.9824   21.399   8.9030   21.399   8.9030 -0.000000 0.000000 
1 1 1    7    0   31 o   17.450   8.6862   4.1923   2.8842   4.1923   2.8842   4.1923   2.8842   17.450   8.6862   17.450   8.6862 -0.000000 0.000000 
1 1 1    7    0   32 o   15.454   8.3381   3.4094   2.8100   3.4094   2.8100   3.4094   2.8100   15.454   8.3381   15.454   8.3381 0.000000 0.000000 
1 1 1    7    0   33 o   10.329   6.8584   0.1978   2.9552   0.1978   2.9552   0.1978   2.9552   10.329   6.8584   10.329   6.8584 0.000000 0.000000 
1 1 1    7    0   34 f   21.582   9.2899   6.9613   3.2283   6.9613   3.2283   6.9613   3.2283   21.582   9.2899   21.582   9.2899 -0.000000 0.000000 
1 1 1    7    1    0 f  212.010   2.9619  352.953   9.8503  352.953   9.8503  352.953   9.8503  212.010   2.9619  212.010   2.9619 0.000000 0.000000 
1 1 1    7    1    1 o  171.478   1.8386  230.755   4.9477  223.722   6.4544  240.777   7.7047  168.837   2.4360  175.147   2.8032 -6.310699 3.713739 
1 1 1    7    1    2 o  111.857   1.8094   98.189   3.1762  101.018   4.9136   96.158   4.1630  113.448   2.7599  110.689   2.3966 2.758934 3.655223 
1 1 1    7    1    3 o  233.156   1.6024  426.599   5.8630  424.491   7.9063  429.173   8.7393  232.569   2.1663  233.843   2.3815 -1.274063 3.219337 
1 1 1    7    1    4 o  307.575   1.5062  742.381   7.2699  749.789   10.358  735.188   10.206  309.089   2.1354  306.065   2.1250 3.023987 3.012530 
1 1 1    7    1    5 o  495.635   2.0600  1927.95   16.023  1923.99   22.618  1931.95   22.701  495.070   2.9113  496.093   2.9159 -1.022736 4.120427 
1 1 1    7    1    6 o  129.753   1.4546  132.119   2.9618  134.868   4.0549  128.974   4.3366  131.090   1.9711  128.191   2.1557 2.899094 2.920979 
1 1 1    7    1    7 o  123.405   1.6344  119.509   3.1651  119.296   3.8738  119.937   5.4896  123.290   2.0022  123.608   2.8300 -0.3174896 3.466667 
1 1 1    7    1    8 o   65.279   1.4852   33.440   1.5215   34.377   2.1782   32.548   2.1262   66.151   2.1009   64.364   2.1079 1.786636 2.976028 
1 1 1    7    1    9 o  395.884   1.8765  1229.91   11.658  1227.99   17.762  1231.36   15.453  395.539   2.8614  396.096   2.4860 -0.5578003 3.790522 
1 1 1    7    1   10 o  813.356   3.1274  5192.52   39.918  5163.90   56.118  5221.83   56.794  810.982   4.4094  815.515   4.4377 -4.533203 6.255927 
1 1 1    7    1   11 o  196.732   1.6340  303.711   5.0445  304.656   6.5309  302.313   7.9426  197.032   2.1122  196.267   2.5787 0.7654266 3.333346 
1 1 1    7    1   12 o  387.704   1.7369  1179.56   10.568  1186.42   15.010  1172.81   14.881  388.811   2.4600  386.575   2.4529 2.236145 3.473917 
1 1 1    7    1   13 o  320.716   1.5475  807.158   7.7886  804.248   10.978  810.108   11.052  320.123   2.1852  321.287   2.1920 -1.164032 3.095160 
1 1 1    7    1   14 o  262.372   1.4122  540.199   5.8148  540.599   8.2155  539.798   8.2312  262.457   1.9946  262.263   1.9999 0.1946106 2.824605 
1 1 1    7    1   15 o  180.135   1.3156  254.635   3.7190  251.349   5.0626  258.487   5.4813  178.961   1.8026  181.482   1.9246 -2.520813 2.636975 
1 1 1    7    1   16 o  289.776   1.4725  658.997   6.6960  656.715   9.4292  661.320   9.5104  289.246   2.0773  290.258   2.0879 -1.011780 2.945253 
1 1 1    7    1   17 o   52.676   1.8078   21.808   1.4922   23.246   2.1129   20.376   2.1076   54.350   2.4839   50.866   2.6495 3.484200 3.631696 
1 1 1    7    1   18 o  107.745   1.2983   91.123   2.1952   90.561   3.0876   91.699   3.1217  107.393   1.8320  108.065   1.8408 -0.6721954 2.597078 
1 1 1    7    1   19 o  152.356   1.3441  182.225   3.2137  181.954   4.5034  182.507   4.5873  152.206   1.8854  152.434   1.9177 -0.2285461 2.689275 
1 1 1    7    1   20 o  130.393   1.3455  133.493   2.7533  133.801   3.8571  133.175   3.9316  130.503   1.8833  130.194   1.9243 0.3091431 2.692562 
1 1 1    7    1   21 o  126.727   1.3457  126.114   2.6763  131.449   3.8806  121.276   3.6958  129.326   1.9121  124.223   1.8958 5.103485 2.692630 
1 1 1    7    1   22 o   50.277   2.3342   19.936   1.8366   22.133   3.1092   18.758   2.2762   52.773   3.7793   48.684   2.9938 4.088921 4.821387 
1 1 1    7    1   23 o   77.534   1.4061   47.232   1.7108   46.932   2.4500   47.519   2.3901   77.205   2.0238   77.695   1.9618 -0.4899826 2.818650 
1 1 1    7    1   24 o   37.052   2.1073   10.849   1.2203   10.946   1.7569   10.759   1.6961   37.074   3.0466   36.769   2.9646 0.3051720 4.250906 
1 1 1    7    1   25 o   7.8278   3.5824  -0.6660   0.9888  -1.0004   1.4474  -0.3735   1.3540   9.4007   4.3142   9.9844   4.4088 -0.5837660 6.168479 
1 1 1    7    1   26 o   46.552   2.1328   17.152   1.5540   16.978   2.1433   17.345   2.2563   46.127   2.9768   46.590   3.1037 -0.4637375 4.300485 
1 1 1    7    1   27 o   55.681   1.9330   24.517   1.6865   25.294   2.1904   23.386   2.6430   56.417   2.4801   54.041   3.1299 2.376564 3.993342 
1 1 1    7    1   28 o   68.389   2.4783   37.230   2.6554   38.652   3.8269   35.909   3.6877   69.178   3.5369   66.673   3.5372 2.505371 5.002077 
1 1 1    7    1   29 o   33.846   4.3188   9.5764   2.2417   10.362   3.2101   8.8284   3.1318   34.186   6.2124   31.274   6.5894 2.911507 9.056157 
1 1 1    7    1   30 o   22.824   5.8248   4.7938   2.0930   4.7511   2.9803   4.8354   2.9401   22.148   7.3495   22.330   7.2944 -0.1815987 10.35489 
1 1 1    7    1   31 o   17.179   6.0409   2.6906   2.0196   4.2858   2.9005   1.1895   2.8137   20.593   7.2396   15.422   6.5825 5.171132 9.784774 
1 1 1    7    1   32 o   14.425   5.7673   1.5251   1.9752  -0.5522   2.8310   3.4955   2.7572   13.166   6.0390   18.692   6.9868 -5.525606 9.234954 
1 1 1    7    1   33 o   16.711   6.0461   2.8026   2.0373   4.0286   3.1392   1.9104   2.6778   18.832   7.3506   15.443   6.4987 3.388348 9.811412 
1 1 1    7    1   34 o   10.667   4.9942  -0.6654   2.0914  -1.3137   2.9971  -0.0502   2.9198   11.775   5.6454   12.659   5.9183 -0.8843222 8.179037 
1 1 1    7    2    0 o  331.394   4.4286  862.515   23.022  862.515   23.022  862.515   23.022  331.394   4.4286  331.394   4.4286 0.000000 0.000000 
1 1 1    7    2    1 o  302.370   2.2492  717.536   10.673  707.072   16.124  725.695   14.238  300.117   3.4235  304.061   2.9839 -3.943878 4.541420 
1 1 1    7    2    2 o  277.257   1.6501  603.240   7.1796  613.667   10.269  593.269   10.042  279.626   2.3401  274.940   2.3274 4.686310 3.300454 
1 1 1    7    2    3 o  600.152   2.7726  2827.17   26.113  2829.70   36.963  2824.66   36.895  600.315   3.9235  599.781   3.9199 0.5343018 5.546132 
1 1 1    7    2    4 o  356.450   1.8950  997.133   10.600  999.669   15.013  994.612   14.968  356.871   2.6808  355.967   2.6795 0.9037781 3.790315 
1 1 1    7    2    5 o   70.521   1.4674   39.027   1.6240   38.329   2.2804   39.746   2.3133   69.852   2.0826   71.134   2.0745 -1.281540 2.939523 
1 1 1    7    2    6 o  442.242   2.0273  1534.95   14.070  1529.45   19.838  1540.51   19.958  441.400   2.8639  442.993   2.8709 -1.593048 4.055110 
1 1 1    7    2    7 o  309.345   1.9233  751.010   9.3369  760.852   13.324  741.513   13.088  311.335   2.7271  307.353   2.7135 3.981537 3.847090 
1 1 1    7    2    8 o  276.558   1.7321  600.217   7.5173  597.281   11.099  602.704   10.218  275.858   2.5639  277.114   2.3495 -1.256134 3.477653 
1 1 1    7    2    9 o  568.369   2.6505  2535.45   23.641  2538.63   33.470  2532.27   33.397  568.649   3.7506  567.937   3.7471 0.7127075 5.301695 
1 1 1    7    2   10 o  332.568   1.5831  867.905   8.2621  871.461   11.718  864.389   11.652  333.235   2.2407  331.880   2.2372 1.354828 3.166312 
1 1 1    7    2   11 o  546.791   2.2291  2346.31   19.127  2344.56   27.021  2348.06   27.079  546.547   3.1504  546.954   3.1548 -0.4071655 4.458472 
1 1 1    7    2   12 o  210.287   1.4130  346.999   4.6630  354.934   6.6658  339.395   6.5255  212.671   1.9973  207.963   1.9995 4.707520 2.826148 
1 1 1    7    2   13 o  197.017   1.2983  304.589   4.0140  307.601   5.6838  301.592   5.6695  197.982   1.8294  196.039   1.8429 1.943573 2.596695 
1 1 1    7    2   14 o   85.047   1.4410   56.759   1.9232   59.189   2.7327   54.374   2.7071   86.844   2.0051   83.237   2.0724 3.607300 2.883677 
1 1 1    7    2   15 o  115.061   1.3105  103.891   2.3663  106.545   3.3452  101.233   3.3478  116.515   1.8295  113.573   1.8783 2.941978 2.622055 
1 1 1    7    2   16 o  185.289   1.3190  269.429   3.8352  269.296   5.2495  269.582   5.6166  185.230   1.8059  185.324   1.9312 -0.9428406E-01 2.644047 
1 1 1    7    2   17 o  219.972   1.4253  379.786   4.9201  372.696   7.4242  385.339   6.5699  217.867   2.1715  221.549   1.8896 -3.682785 2.878541 
1 1 1    7    2   18 o   89.726   1.3846   63.197   1.9496   64.956   2.7620   61.450   2.7523   90.948   1.9352   88.458   1.9827 2.490517 2.770584 
1 1 1    7    2   19 o   53.909   1.9204   22.855   1.6221   20.629   2.2558   25.239   2.3342   51.140   2.8217   56.599   2.6352 -5.459122 3.860854 
1 1 1    7    2   20 o   63.397   1.7111   31.592   1.7008   28.165   2.3616   35.285   2.4515   59.792   2.5225   66.953   2.3368 -7.161053 3.438570 
1 1 1    7    2   21 o  118.481   1.2938  110.230   2.4056  112.644   3.4398  107.919   3.3655  119.725   1.8308  117.188   1.8300 2.537720 2.588615 
1 1 1    7    2   22 o   96.146   1.4615   72.620   2.2052   68.317   3.4266   75.662   2.8811   93.138   2.3462   98.102   1.8714 -4.964302 3.001173 
1 1 1    7    2   23 o   57.359   1.6764   25.887   1.5074   25.460   2.1967   26.268   2.0723   56.790   2.4708   57.710   2.2928 -0.9200668 3.370683 
1 1 1    7    2   24 o   72.535   1.5164   41.369   1.7261   42.280   2.5073   40.549   2.3800   73.215   2.1846   71.711   2.1172 1.503799 3.042215 
1 1 1    7    2   25 o   25.455   2.7041   5.1844   1.0637   5.2794   1.5342   5.0964   1.4762   25.416   3.9768   24.982   3.8920 0.4333630 5.564361 
1 1 1    7    2   26 o   13.375   5.0327   1.1134   1.4356   3.7401   2.0246  -1.5431   2.0360   20.983   5.9022   10.896   5.0420 10.08719 7.762555 
1 1 1    7    2   27 o   25.047   3.7279   5.1460   1.4207   6.9380   1.9674   3.1932   2.0538   28.917   4.4802   19.483   6.0681 9.434687 7.542788 
1 1 1    7    2   28 o   62.217   1.8643   30.630   1.8182   31.021   2.3565   30.056   2.8581   62.438   2.4095   61.231   2.9834 1.206558 3.834882 
1 1 1    7    2   29 o   45.603   3.3193   16.904   2.3592   14.034   3.3220   19.824   3.3510   40.418   5.3702   48.770   4.4265 -8.352322 6.959371 
1 1 1    7    2   30 o   11.939   5.3339  -0.3684   2.0409   2.3046   2.9079  -2.9635   2.8652   17.638   7.0156   11.618   5.5567 6.019517 8.949568 
1 1 1    7    2   31 o   14.119   5.7932   1.1848   2.0528  -0.5799   2.9184   2.9131   2.8880   13.528   6.1772   18.084   7.0528 -4.556535 9.375502 
1 1 1    7    2   32 o   22.023   5.7830   4.7353   2.0238   6.7871   2.9109   2.8154   2.8157   25.270   7.0661   17.510   6.9231 7.760292 9.892419 
1 1 1    7    2   33 o   12.962   5.6706   0.6567   2.1927   0.6803   3.1577   0.6346   3.0473   14.445   6.5285   14.254   6.4304 0.1912851 9.163586 
1 1 1    7    2   34 o   17.990   6.0322   3.7452   2.0068   2.8027   2.6473   5.0186   3.0770   15.711   6.5252   18.936   7.3088 -3.224816 9.797771 
1 1 1    7    3    0 o  650.735   3.6338  3323.91   37.105  3323.91   37.105  3323.91   37.105  650.735   3.6338  650.735   3.6338 0.000000 0.000000 
1 1 1    7    3    1 o  222.050   1.3997  386.916   4.8776  386.770   6.8958  387.062   6.9000  221.999   1.9794  222.083   1.9798 -0.8395386E-01 2.799580 
1 1 1    7    3    2 o  482.946   2.1609  1830.49   16.377  1827.67   23.120  1833.32   23.202  482.523   3.0532  483.268   3.0594 -0.7454834 4.322239 
1 1 1    7    3    3 o  477.862   2.1452  1792.18   16.087  1770.93   22.489  1814.46   23.021  474.967   3.0172  480.766   3.0513 -5.799652 4.291168 
1 1 1    7    3    4 o  381.911   1.9826  1144.70   11.883  1162.55   17.009  1127.68   16.607  384.837   2.8164  379.024   2.7921 5.813110 3.965852 
1 1 1    7    3    5 o  363.460   1.9208  1036.76   10.956  1029.70   15.396  1044.00   15.593  362.184   2.7087  364.689   2.7247 -2.505157 3.841979 
1 1 1    7    3    6 o  179.892   1.5944  253.957   4.5012  262.556   7.2022  248.446   5.7659  182.894   2.5093  177.921   2.0651 4.972733 3.249816 
1 1 1    7    3    7 o  288.317   1.6955  652.350   7.6716  657.520   11.944  648.719   10.009  289.428   2.6297  287.499   2.2184 1.929138 3.440480 
1 1 1    7    3    8 o   74.263   1.5496   43.279   1.8059   44.940   2.5535   41.616   2.5543   75.641   2.1534   72.784   2.2390 2.856949 3.106440 
1 1 1    7    3    9 o  169.006   1.5311  224.140   4.0608  222.490   5.1187  226.942   6.6704  168.379   1.9372  170.047   2.4996 -1.668610 3.162404 
1 1 1    7    3   10 o  463.527   2.1044  1686.12   15.308  1687.19   21.645  1685.04   21.652  463.642   2.9749  463.346   2.9778 0.2957764 4.209135 
1 1 1    7    3   11 o  358.895   1.9984  1010.80   11.255  1013.13   15.257  1008.01   16.672  359.290   2.7059  358.375   2.9644 0.9154663 4.013662 
1 1 1    7    3   12 o  128.160   1.4428  128.887   2.9018  132.332   4.2557  125.893   3.9670  129.856   2.0883  126.658   1.9958 3.197830 2.888681 
1 1 1    7    3   13 o  146.594   1.8357  168.643   4.2231  174.093   6.9024  165.383   5.3390  148.927   2.9534  145.163   2.3437 3.763672 3.770299 
1 1 1    7    3   14 o  179.943   1.3403  254.087   3.7849  256.202   5.2052  251.715   5.5133  180.684   1.8358  179.092   1.9617 1.591446 2.686667 
1 1 1    7    3   15 o  119.506   1.3896  112.075   2.6061  111.118   3.4721  113.310   3.9439  118.989   1.8594  120.152   2.0917 -1.163879 2.798670 
1 1 1    7    3   16 o  230.546   1.3612  417.130   4.9247  416.358   6.9373  417.915   6.9922  230.312   1.9194  230.742   1.9310 -0.4296417 2.722646 
1 1 1    7    3   17 o   57.307   1.9285   25.813   1.7319   26.269   2.4853   25.383   2.4147   57.762   2.7497   56.779   2.7179 0.9830246 3.866224 
1 1 1    7    3   18 o  191.890   1.2954  289.031   3.9009  290.617   5.5126  287.441   5.5209  192.379   1.8260  191.324   1.8388 1.054825 2.591382 
1 1 1    7    3   19 o  186.927   1.3874  274.324   4.0699  277.686   5.7669  270.987   5.7446  188.018   1.9545  185.734   1.9709 2.283295 2.775681 
1 1 1    7    3   20 o  149.462   1.3722  175.405   3.2186  172.326   4.5028  178.621   4.6024  148.094   1.9375  150.774   1.9451 -2.679962 2.745444 
1 1 1    7    3   21 o  123.703   1.2909  120.164   2.5060  118.949   3.5477  121.374   3.5404  123.027   1.8375  124.277   1.8153 -1.250298 2.583002 
1 1 1    7    3   22 o  123.048   1.4426  118.943   2.7857  114.925   4.5395  121.371   3.5281  120.827   2.3940  124.255   1.8094 -3.428444 3.000874 
1 1 1    7    3   23 o   60.460   1.7445   28.768   1.6534   30.142   2.5924   27.825   2.1467   61.764   2.6810   59.394   2.3076 2.370930 3.537291 
1 1 1    7    3   24 o   66.094   1.5844   34.358   1.6434   31.636   2.3243   37.079   2.3238   63.291   2.3442   68.559   2.1626 -5.268074 3.189375 
1 1 1    7    3   25 o   58.426   1.5515   26.882   1.4213   28.396   2.0575   25.501   1.9657   59.943   2.1910   56.797   2.2096 3.146187 3.111702 
1 1 1    7    3   26 o   14.469   5.4943   1.2853   1.7200   2.2984   2.4032   0.2212   2.4629   17.938   6.5553   14.462   6.1652 3.475800 8.999021 
1 1 1    7    3   27 o   56.164   2.1173   24.989   1.8628   26.244   2.5875   23.639   2.6840   57.328   2.8854   54.305   3.1632 3.023125 4.281558 
1 1 1    7    3   28 o   45.138   2.3236   16.221   1.6404   16.664   2.2916   15.756   2.3492   45.448   3.2342   44.116   3.4200 1.332836 4.707035 
1 1 1    7    3   29 o   24.074   3.7743   4.8331   1.3790   5.0244   1.8885   4.6146   2.0185   24.000   5.1671   22.793   5.6673 1.207420 7.669196 
1 1 1    7    3   30 o   21.847   5.1152   4.2846   1.7227   6.9578   3.0436   3.0247   2.0896   26.613   7.1402   18.315   6.1555 8.297909 9.427278 
1 1 1    7    3   31 o   17.453   6.0666   2.8282   2.0332   3.0011   2.9147   2.6642   2.8377   18.202   7.0892   17.593   6.9519 0.6091843 9.928976 
1 1 1    7    3   32 o   10.309   4.8059  -1.1177   1.9035  -2.8045   2.7151   0.5128   2.6694   10.979   5.2916   14.005   6.1870 -3.026649 8.141260 
1 1 1    7    3   33 o   9.9724   4.7989  -2.1318   2.2119  -5.7739   3.2038   1.1853   3.0575   10.108   5.0380   14.773   6.5688 -4.665696 8.278361 
1 1 1    7    3   34 o   15.388   5.7461   2.5859   1.8640   0.7689   2.6443   4.3805   2.6279   13.047   5.9274   18.349   6.8285 -5.302118 9.042244 
1 1 1    7    4    0 f   40.707   2.6761   13.172   1.6923   13.172   1.6923   13.172   1.6923   40.707   2.6761   40.707   2.6761 -0.000000 0.000000 
1 1 1    7    4    1 o  332.896   1.5783  869.656   8.2451  865.639   11.618  873.732   11.703  332.106   2.2292  333.655   2.2351 -1.548737 3.156735 
1 1 1    7    4    2 o   70.828   1.5576   39.368   1.7313   37.884   2.3304   41.196   2.5864   69.444   2.1410   72.413   2.2789 -2.969101 3.126830 
1 1 1    7    4    3 o  292.871   1.5239  673.105   7.0039  662.823   10.143  682.476   9.6833  290.606   2.2241  294.887   2.0925 -4.281097 3.053673 
1 1 1    7    4    4 o  256.219   1.3934  515.163   5.6028  505.860   7.8349  524.899   8.0151  253.881   1.9665  258.615   1.9749 -4.733383 2.787029 
1 1 1    7    4    5 o  279.681   1.5498  613.848   6.8021  610.711   9.5695  617.052   9.6705  278.948   2.1860  280.392   2.1977 -1.444061 3.099817 
1 1 1    7    4    6 o  360.234   1.7763  1018.40   10.042  1011.80   14.104  1025.19   14.299  359.035   2.5033  361.402   2.5213 -2.367035 3.552918 
1 1 1    7    4    7 o  135.265   1.6812  143.583   3.5687  140.863   4.7940  146.965   5.3445  133.969   2.2803  136.837   2.4888 -2.867813 3.375469 
1 1 1    7    4    8 o  288.988   1.5901  655.360   7.2113  667.702   10.294  643.468   10.105  291.681   2.2490  286.339   2.2488 5.342102 3.180370 
1 1 1    7    4    9 o  300.068   1.9091  706.594   8.9901  703.627   11.585  711.086   14.253  299.425   2.4655  300.992   3.0176 -1.567444 3.896722 
1 1 1    7    4   10 o  331.912   1.5941  864.484   8.3034  865.551   11.744  863.417   11.741  332.104   2.2534  331.694   2.2557 0.4097595 3.188389 
1 1 1    7    4   11 o  461.143   1.9644  1668.78   14.216  1667.94   20.081  1669.63   20.128  460.999   2.7758  461.233   2.7808 -0.2337341 3.929074 
1 1 1    7    4   12 o  387.212   1.7452  1176.58   10.605  1191.04   15.131  1162.62   14.867  389.563   2.4751  384.887   2.4615 4.675781 3.490689 
1 1 1    7    4   13 o  246.477   1.4933  476.731   5.7762  478.925   8.1499  474.516   8.1878  247.031   2.1023  245.891   2.1219 1.140198 2.986970 
1 1 1    7    4   14 o  246.231   1.4474  475.783   5.5930  465.793   8.0586  485.068   7.7688  243.618   2.1079  248.611   1.9912 -4.992432 2.899691 
1 1 1    7    4   15 o   56.083   2.0025   24.718   1.7596   22.223   2.4627   27.320   2.5149   53.119   2.9660   58.928   2.7269 -5.808846 4.029092 
1 1 1    7    4   16 o  133.162   1.5159  139.170   3.1677  137.091   4.8849  140.679   4.1612  132.140   2.3556  133.870   1.9808 -1.730026 3.077746 
1 1 1    7    4   17 o  270.818   1.5480  575.721   6.5791  572.247   9.2455  579.284   9.3642  269.945   2.1825  271.598   2.1970 -1.653107 3.096797 
1 1 1    7    4   18 o  127.169   1.3857  126.952   2.7654  124.717   3.8894  129.237   3.9325  126.015   1.9668  128.279   1.9535 -2.263840 2.772062 
1 1 1    7    4   19 o   22.335   4.2071   4.0625   1.4205   5.6055   2.0520   2.6428   1.9683   26.173   5.1793   18.505   5.9626 7.668350 7.897995 
1 1 1    7    4   20 o   52.034   2.2578   21.327   1.8393   24.877   2.6897   18.208   2.5208   56.123   3.0655   47.949   3.3715 8.173378 4.556841 
1 1 1    7    4   21 o  173.923   1.4101  237.579   3.8486  242.392   5.4648  232.843   5.4209  175.593   1.9832  172.096   2.0072 3.497269 2.821677 
1 1 1    7    4   22 o   63.286   1.6806   31.500   1.6676   32.584   2.4403   30.551   2.2841   64.285   2.4233   62.254   2.3422 2.030293 3.370199 
1 1 1    7    4   23 o  106.485   1.5288   89.127   2.5547   90.838   3.6557   87.493   3.5715  107.408   2.1688  105.414   2.1590 1.994339 3.060215 
1 1 1    7    4   24 o   58.233   1.7224   26.709   1.5723   25.205   2.2976   28.033   2.1563   56.432   2.6015   59.573   2.3108 -3.140678 3.479600 
1 1 1    7    4   25 o   51.490   1.7781   20.911   1.4346   21.746   2.0882   20.164   1.9744   52.370   2.5485   50.433   2.5025 1.936779 3.571717 
1 1 1    7    4   26 o   27.391   4.0103   6.1513   1.6727   4.4266   2.3386   7.9578   2.3935   22.691   6.3293   30.860   5.1218 -8.168186 8.142106 
1 1 1    7    4   27 o   32.636   3.4243   8.6291   1.7277   7.6601   2.4277   9.6234   2.4592   30.063   5.3416   34.025   4.7337 -3.962067 7.137277 
1 1 1    7    4   28 o   10.051   4.6380  -1.1773   1.7054   2.5622   2.4008  -4.9862   2.4230   18.171   6.5649   9.2916   4.5870 8.879782 8.008626 
1 1 1    7    4   29 o   17.594   5.0597   2.6903   1.4715   3.0218   2.0554   2.3418   2.1076   18.648   6.0995   17.108   6.1549 1.539976 8.665233 
1 1 1    7    4   30 o   15.716   4.9772   2.1594   1.3761  -0.2865   1.9299   4.6892   1.9627   11.689   5.2067   22.595   5.5711 -10.90630 7.625422 
1 1 1    7    4   31 o   13.986   4.7347   1.6837   1.2363   1.6083   1.7125   1.7658   1.7865   14.352   5.4746   14.803   5.6044 -0.4511795 7.834572 
1 1 1    7    4   32 o   10.588   4.9153  -0.9939   1.9584  -0.5849   2.7826  -1.3952   2.7568   12.976   5.9650   12.167   5.7082 0.8096733 8.256177 
1 1 1    7    4   33 o   12.649   5.6363   0.4313   2.2636   0.5104   3.2131   0.3534   3.1894   14.143   6.4670   13.965   6.4071 0.1778641 9.103490 
1 1 1    7    4   34 f   18.115   5.8091   3.7338   1.8698   5.5246   2.6823   2.0409   2.6079   20.432   6.9733   14.506   6.2662 5.926559 9.375148 
1 1 1    7    5    0 o   84.185   2.2385   55.735   2.9526   55.735   2.9526   55.735   2.9526   84.185   2.2385   84.185   2.2385 0.000000 0.000000 
1 1 1    7    5    1 o  226.757   1.3820  403.497   4.9180  419.793   7.3373  390.204   6.6269  231.277   2.0216  222.980   1.8938 8.296722 2.770108 
1 1 1    7    5    2 o  295.303   1.7191  684.355   7.9665  682.875   12.300  685.425   10.456  294.951   2.6574  295.517   2.2546 -0.5659180 3.484977 
1 1 1    7    5    3 o  129.918   1.2536  132.451   2.5558  131.347   3.5964  133.578   3.6327  129.370   1.7714  130.464   1.7743 -1.094315 2.507248 
1 1 1    7    5    4 o  355.352   1.6522  990.967   9.2133  979.543   12.899  1002.86   13.164  353.272   2.3267  357.451   2.3468 -4.179779 3.304678 
1 1 1    7    5    5 o  331.384   1.5873  861.785   8.2546  873.357   11.776  850.607   11.574  333.579   2.2496  329.206   2.2403 4.373138 3.174835 
1 1 1    7    5    6 o  290.584   1.4881  662.626   6.7860  676.129   9.7112  649.740   9.4864  293.514   2.1083  287.730   2.1009 5.784485 2.976382 
1 1 1    7    5    7 o  260.125   1.4247  530.982   5.8158  531.071   8.2132  530.892   8.2365  260.136   2.0119  260.092   2.0179 0.4400635E-01 2.849531 
1 1 1    7    5    8 o  236.003   1.4801  437.066   5.4817  441.385   7.7768  432.801   7.7280  237.157   2.0896  234.839   2.0970 2.317734 2.960321 
1 1 1    7    5    9 o  472.526   2.1487  1752.24   15.933  1745.11   22.396  1759.54   22.673  471.530   3.0266  473.474   3.0514 -1.944580 4.297856 
1 1 1    7    5   10 o  423.793   2.2411  1409.45   14.904  1392.84   19.969  1430.34   22.394  421.262   3.0207  426.882   3.3429 -5.620422 4.505486 
1 1 1    7    5   11 o  142.661   1.4263  159.704   3.1931  158.430   4.4853  161.013   4.5469  142.086   2.0116  143.240   2.0228 -1.153152 2.852702 
1 1 1    7    5   12 o   83.168   1.5860   54.279   2.0700   52.883   2.9986   55.551   2.8610   82.054   2.3311   84.105   2.1695 -2.051575 3.184417 
1 1 1    7    5   13 o  180.178   1.4116  254.754   3.9915  255.934   5.6242  253.557   5.6656  180.587   1.9846  179.746   2.0086 0.8407288 2.823620 
1 1 1    7    5   14 f  284.279   1.4887  634.193   6.6415  632.901   9.3679  635.498   9.4172  283.972   2.1021  284.554   2.1089 -0.5817566 2.977631 
1 1 1    7    5   15 o  184.538   1.3668  267.248   3.9581  266.603   5.3900  268.002   5.8311  184.303   1.8636  184.782   2.0109 -0.4786072 2.741637 
1 1 1    7    5   16 o  108.373   1.4374   92.178   2.4446   91.910   3.5716   92.415   3.3531  108.199   2.1034  108.500   1.9693 -0.3008118 2.881414 
1 1 1    7    5   17 o  176.949   1.3253  245.766   3.6803  248.493   5.2288  243.089   5.1810  177.898   1.8729  175.953   1.8763 1.945404 2.651154 
1 1 1    7    5   18 o  142.391   1.3149  159.160   2.9382  164.122   4.2122  154.458   4.1006  144.562   1.8567  140.241   1.8632 4.321091 2.630401 
1 1 1    7    5   19 o   85.858   1.5854   57.888   2.1361   56.469   3.0651   59.227   2.9786   84.730   2.3073   86.786   2.1888 -2.056793 3.180322 
1 1 1    7    5   20 o   97.746   1.5064   75.037   2.3107   73.153   3.2986   76.853   3.2378   96.462   2.1791   98.879   2.0866 -2.417465 3.016977 
1 1 1    7    5   21 o   54.157   2.3152   23.118   1.9631   24.418   2.8886   22.002   2.6761   55.531   3.3300   52.714   3.2508 2.817268 4.653662 
1 1 1    7    5   22 o   63.681   2.1738   31.949   2.1692   35.829   3.3462   29.137   2.8488   67.291   3.1777   60.696   3.0001 6.594475 4.370222 
1 1 1    7    5   23 o   58.311   2.4073   26.846   2.1982   25.424   3.1114   28.263   3.1059   56.540   3.5242   59.666   3.3302 -3.126610 4.848788 
1 1 1    7    5   24 f   32.609   3.0995   8.4995   1.5671   9.5417   2.3362   7.6470   2.1129   34.255   4.4511   30.586   4.5396 3.669727 6.357634 
1 1 1    7    5   25 o   33.176   3.0469   8.8122   1.5686   7.9600   2.4363   9.4156   2.0500   30.926   5.2045   34.092   3.9020 -3.165718 6.504837 
1 1 1    7    5   26 o   20.320   4.0843   3.4381   1.2572   4.3838   1.6485   2.1239   1.9435   22.831   4.7559   16.811   5.9248 6.019070 7.597447 
1 1 1    7    5   27 o   13.132   5.4312   0.5445   1.8234   2.6499   2.6761  -1.2801   2.4913   18.842   6.9123   12.536   5.7178 6.305935 8.970726 
1 1 1    7    5   28 o   24.111   5.0318   4.9961   1.8423   8.3086   2.6326   1.8170   2.5790   30.993   5.6195   16.976   6.6520 14.01710 8.707898 
1 1 1    7    5   29 o   13.549   5.3650   1.0539   1.6933  -0.4870   2.4191   2.5340   2.3709   12.966   5.7989   17.737   6.5064 -4.771026 8.715574 
1 1 1    7    5   30 o   24.898   4.4788   5.4188   1.6857   6.5099   2.4145   4.3813   2.3545   26.379   5.9720   21.348   6.4697 5.031050 8.804640 
1 1 1    7    5   31 o   13.859   5.3377   1.4522   1.6386   1.7078   2.1538   1.1009   2.5248   15.126   6.0308   14.697   6.2530 0.4288912 8.687376 
1 1 1    7    5   32 o   9.4788   4.2873  -0.3979   1.3649   2.2736   1.9078  -3.1989   1.9535   15.807   5.8300   8.6026   4.2216 7.204726 7.197985 
1 1 1    7    5   33 o   9.1016   4.4017  -2.1074   1.9177  -8.3830   4.0056  -0.2413   2.1843   10.441   5.2632   11.587   5.3109 -1.145582 7.477071 
1 1 1    7    6    0 o   82.275   2.3670   53.254   3.0504   53.254   3.0504   53.254   3.0504   82.275   2.3670   82.275   2.3670 -0.000000 0.000000 
1 1 1    7    6    1 o  352.318   1.6508  974.118   9.1272  974.374   12.910  973.863   12.905  352.337   2.3349  352.245   2.3346 0.9237671E-01 3.301865 
1 1 1    7    6    2 o  126.518   1.3311  125.610   2.6428  124.703   3.6150  126.651   3.8734  126.055   1.8274  127.034   1.9429 -0.9791641 2.667320 
1 1 1    7    6    3 o  243.775   1.3951  466.338   5.3371  456.006   7.4485  477.240   7.6512  241.047   1.9691  246.594   1.9772 -5.547913 2.790404 
1 1 1    7    6    4 o  309.047   1.5406  749.517   7.4719  773.510   10.798  727.474   10.350  313.935   2.1918  304.450   2.1663 9.484375 3.081671 
1 1 1    7    6    5 o  257.402   1.5248  519.936   6.1594  517.421   8.1298  523.326   9.4373  256.767   2.0176  258.220   2.3289 -1.452515 3.081300 
1 1 1    7    6    6 o  271.460   1.5563  578.277   6.6299  577.140   9.3638  579.420   9.3884  271.179   2.2004  271.714   2.2018 -0.5350952 3.112768 
1 1 1    7    6    7 o  128.954   1.4734  130.492   2.9818  131.799   4.1176  129.050   4.3236  129.593   2.0247  128.234   2.1485 1.359512 2.952181 
1 1 1    7    6    8 o  258.404   1.4399  523.971   5.8389  535.800   8.3728  512.771   8.1467  261.296   2.0419  255.619   2.0309 5.676895 2.879876 
1 1 1    7    6    9 o  107.499   1.9994   90.686   3.3729   89.738   5.5848   91.230   4.2319  106.872   3.3340  107.817   2.5012 -0.9450378 4.167903 
1 1 1    7    6   10 o  547.638   2.2460  2353.59   19.302  2354.27   27.306  2352.92   27.288  547.674   3.1771  547.517   3.1759 0.1568604 4.492268 
1 1 1    7    6   11 f  437.366   1.9050  1501.14   13.075  1489.20   18.372  1513.39   18.612  435.596   2.6877  439.118   2.7008 -3.522461 3.810242 
1 1 1    7    6   12 o  126.784   1.4843  126.138   2.9533  126.642   4.1831  125.637   4.1701  127.031   2.0984  126.526   2.1002 0.5049667 2.968829 
1 1 1    7    6   13 o  378.060   1.8626  1121.68   11.050  1126.84   15.678  1116.59   15.578  378.896   2.6366  377.169   2.6320 1.727112 3.725467 
1 1 1    7    6   14 o   77.059   1.9572   46.635   2.3649   49.572   3.3500   43.717   3.3389   79.420   2.6918   74.568   2.8586 4.851540 3.926460 
1 1 1    7    6   15 o  164.148   1.5683  211.471   4.0400  203.438   5.6099  220.125   5.8229  160.982   2.2206  167.454   2.2158 -6.472443 3.137057 
1 1 1    7    6   16 o  154.063   1.4307  186.296   3.4589  189.382   4.9364  183.320   4.8481  155.311   2.0254  152.805   2.0217 2.505768 2.861732 
1 1 1    7    6   17 o  210.318   1.4625  347.240   4.8271  341.167   6.7785  353.488   6.8757  208.422   2.0724  212.153   2.0652 -3.730957 2.925759 
1 1 1    7    6   18 o   76.687   1.7463   46.183   2.1016   48.716   3.0204   43.805   2.9261   78.692   2.4488   74.612   2.5026 4.080322 3.501374 
1 1 1    7    6   19 o   37.933   2.6237   11.371   1.5522   12.208   2.2588   10.622   2.1366   39.177   3.7186   36.510   3.7839 2.667133 5.305302 
1 1 1    7    6   20 o   10.589   4.5963  -0.2177   1.4167  -0.7623   2.0946   0.2416   1.9234   12.227   5.4367   13.195   5.5272 -0.9682398 7.752890 
1 1 1    7    6   21 o   77.148   1.6317   46.768   1.9755   45.637   2.8575   47.804   2.7342   76.109   2.3954   77.917   2.2384 -1.807732 3.278497 
1 1 1    7    6   22 o   64.764   1.7932   33.006   1.8208   31.884   2.6408   34.022   2.5138   63.545   2.6540   65.675   2.4433 -2.130695 3.607451 
1 1 1    7    6   23 o   88.712   1.8916   61.938   2.6335   63.421   3.4046   59.729   4.1551   89.649   2.4222   86.854   3.0532 2.795540 3.897348 
1 1 1    7    6   24 o   73.691   1.6651   42.740   1.9256   40.972   2.9264   44.090   2.5573   71.948   2.5961   74.733   2.1828 -2.784286 3.391843 
1 1 1    7    6   25 f   51.090   1.9355   20.617   1.5490   19.945   2.2300   21.243   2.1533   50.057   2.8505   51.711   2.6625 -1.653732 3.900563 
1 1 1    7    6   26 o   18.995   4.3033   3.0295   1.2529   1.6807   1.8384   4.1994   1.7122   15.580   5.7270   22.253   5.0225 -6.672443 7.617352 
1 1 1    7    6   27 o   48.327   2.8785   18.696   2.1732   19.070   3.1221   18.345   3.0267   48.297   4.1598   47.386   4.1108 0.9104805 5.848297 
1 1 1    7    6   28 o   50.829   2.7278   20.712   2.1679   20.340   3.0876   21.073   3.0447   49.779   3.9857   50.745   3.8521 -0.9659805 5.542995 
1 1 1    7    6   29 o   8.9519   4.2532  -1.7674   1.6221  -3.5833   2.3584  -0.1373   2.2345   9.8529   4.7921   12.868   5.6738 -3.015645 7.426712 
1 1 1    7    6   30 o   11.729   4.9905   0.3660   1.6083   0.8567   2.3010  -0.1028   2.2489   14.171   5.9968   12.695   5.6399 1.475718 8.232266 
1 1 1    7    6   31 f   24.631   4.3090   5.3746   1.6049   4.6027   2.2665   6.1510   2.2729   21.430   6.3133   25.236   5.8531 -3.806400 8.609096 
1 1 1    7    6   32 o   17.895   5.1058   3.0552   1.5042   2.2206   2.1136   3.9118   2.1412   15.760   6.0642   19.538   6.2111 -3.777362 8.680568 
1 1 1    7    6   33 o   15.708   5.1596   2.4999   1.4701   2.3528   1.9496   2.6939   2.2382   15.215   5.8319   15.913   6.2081 -0.6979780 8.517685 
1 1 1    7    7    0 o   9.8755   6.1654   0.4426   1.9513   0.4426   1.9513   0.4426   1.9513   9.8755   6.1654   9.8755   6.1654 0.000000 0.000000 
1 1 1    7    7    1 o   90.196   1.5113   63.841   2.1391   62.393   2.9693   65.404   3.0843   89.161   2.1221   91.287   2.1530 -2.125412 3.023026 
1 1 1    7    7    2 o  168.455   1.3657  222.684   3.6103  224.525   4.9589  220.607   5.2664  169.143   1.8682  167.658   2.0016 1.484756 2.738017 
1 1 1    7    7    3 o  276.513   1.4775  600.006   6.4114  594.596   9.0271  605.513   9.1076  275.248   2.0899  277.764   2.0894 -2.515503 2.955180 
1 1 1    7    7    4 o  101.370   1.4172   80.637   2.2544   80.451   3.2097   80.819   3.1673  101.247   2.0201  101.479   1.9888 -0.2322159 2.834815 
1 1 1    7    7    5 o  188.700   1.3438  279.419   3.9792  281.309   5.6594  277.571   5.5961  189.330   1.9048  188.068   1.8961 1.261948 2.687633 
1 1 1    7    7    6 o  235.646   1.4070  435.744   5.2031  444.192   7.4608  427.745   7.2598  237.910   1.9983  233.465   1.9815 4.445602 2.814188 
1 1 1    7    7    7 o  201.071   1.3679  317.250   4.3161  320.034   6.1464  314.542   6.0623  201.944   1.9395  200.204   1.9295 1.740128 2.735825 
1 1 1    7    7    8 o  241.318   1.5760  456.971   5.9682  463.785   8.8736  451.342   8.0650  243.099   2.3260  239.819   2.1430 3.280228 3.162672 
1 1 1    7    7    9 o  410.379   1.8970  1321.59   12.217  1331.17   16.842  1310.94   17.748  411.845   2.6059  408.698   2.7672 3.146484 3.801016 
1 1 1    7    7   10 o  126.931   1.5054  126.429   2.9986  131.136   4.3061  121.997   4.1781  129.268   2.1227  124.682   2.1353 4.585648 3.010885 
1 1 1    7    7   11 o  336.683   1.7484  889.553   9.2376  890.821   13.100  888.300   13.028  336.902   2.4777  336.426   2.4677 0.4767456 3.496959 
1 1 1    7    7   12 o  353.516   1.7954  980.756   9.9603  983.914   14.132  977.639   14.040  354.058   2.5435  352.927   2.5350 1.130554 3.591072 
1 1 1    7    7   13 o  232.393   1.6349  423.825   5.9624  432.583   8.5448  415.515   8.3236  234.764   2.3193  230.087   2.3052 4.677689 3.270076 
1 1 1    7    7   14 o  100.961   1.5095   79.995   2.3916   79.832   3.4207   80.150   3.3449  100.849   2.1614  101.051   2.1093 -0.2015076 3.020074 
1 1 1    7    7   15 o  182.165   1.3695  260.435   3.9149  260.371   5.5803  260.496   5.4937  182.122   1.9525  182.167   1.9217 -0.4493713E-01 2.739565 
1 1 1    7    7   16 o  309.321   1.6918  751.128   8.2124  756.279   11.677  746.087   11.552  310.301   2.3980  308.204   2.3884 2.096649 3.384513 
1 1 1    7    7   17 f  183.795   1.4777  265.198   4.2621  262.437   6.0270  267.960   6.0281  182.786   2.1011  184.702   2.0797 -1.915344 2.956319 
1 1 1    7    7   18 o  173.911   1.4751  237.474   4.0259  235.953   5.6769  239.012   5.7103  173.297   2.0874  174.417   2.0862 -1.119919 2.951230 
1 1 1    7    7   19 o   94.138   1.5297   69.597   2.2599   69.589   3.2351   69.605   3.1581   94.088   2.1910   94.104   2.1386 -0.1519012E-01 3.061687 
1 1 1    7    7   20 o   64.551   1.8460   32.775   1.8681   32.630   2.7293   32.903   2.5624   64.318   2.7100   64.609   2.5321 -0.2902756 3.708925 
1 1 1    7    7   21 o   92.139   1.5535   66.706   2.2462   63.225   3.2030   70.074   3.1509   89.603   2.2797   94.380   2.1274 -4.776428 3.118137 
1 1 1    7    7   22 o  141.557   1.3867  157.445   3.0806  157.452   4.4142  157.438   4.3012  141.460   1.9885  141.463   1.9375 -0.3540039E-02 2.776294 
1 1 1    7    7   23 o   37.302   2.7499   11.052   1.5984   10.343   2.3362   11.676   2.1918   35.773   4.2440   38.163   3.7063 -2.389565 5.634546 
1 1 1    7    7   24 o   41.830   2.7990   13.917   1.8268   12.272   2.7779   15.171   2.4249   38.796   4.6556   43.501   3.5839 -4.704716 5.875296 
1 1 1    7    7   25 o   20.245   4.6038   3.4414   1.4295   2.6894   2.0384   4.1692   2.0053   18.330   6.0779   22.111   5.7320 -3.781221 8.354480 
1 1 1    7    7   26 o   41.008   2.3786   13.371   1.5241   12.415   2.2130   14.233   2.1021   39.162   3.6426   42.093   3.2065 -2.930618 4.852809 
1 1 1    7    7   27 o   59.082   1.7553   27.594   1.6257   26.980   2.3536   28.155   2.2482   58.167   2.5848   59.484   2.4134 -1.316925 3.536309 
1 1 1    7    7   28 o   21.677   5.3755   4.1203   1.8196   6.0311   2.5859   2.2464   2.5608   25.850   6.4070   17.612   6.7001 8.238007 9.270430 
1 1 1    7    7   29 o   21.815   5.2655   4.2707   1.7819   4.0045   2.5605   4.5207   2.4814   20.708   6.8097   21.888   6.6435 -1.180414 9.513590 
1 1 1    7    7   30 o   15.425   5.5509   2.0232   1.7145  -0.3573   2.4615   4.2663   2.3894   12.825   5.7832   20.830   6.5535 -8.004881 8.740312 
1 1 1    7    7   31 o   15.185   5.7459   1.9514   1.8772   2.9690   2.6607   0.9428   2.6489   17.727   6.8083   14.563   6.3032 3.163260 9.278131 
1 1 1    7    7   32 o   13.222   5.1782   1.3449   1.5622   3.5402   2.2342  -0.7552   2.1853   18.454   6.3621   11.320   5.2332 7.133228 8.237891 
1 1 1    7    7   33 o   12.113   4.9714   1.0887   1.5123   0.7234   2.1251   1.4636   2.1524   12.464   5.5126   13.582   5.7759 -1.117928 7.984336 
1 1 1    7    8    0 o  153.617   2.0546  185.282   4.9512  185.282   4.9512  185.282   4.9512  153.617   2.0546  153.617   2.0546 -0.000000 0.000000 
1 1 1    7    8    1 o   91.644   1.5284   65.907   2.1981   63.228   3.0905   68.649   3.1270   89.757   2.1941   93.526   2.1305 -3.769234 3.058271 
1 1 1    7    8    2 o  185.681   1.4022  270.552   4.0858  278.874   6.0663  263.643   5.5276  188.505   2.0507  183.287   1.9217 5.217499 2.810399 
1 1 1    7    8    3 o  250.196   1.4460  491.221   5.6774  491.331   8.0360  491.111   8.0222  250.212   2.0466  250.156   2.0435 0.5589294E-01 2.892113 
1 1 1    7    8    4 o   37.021   2.8965   10.824   1.6694   11.158   2.3642   10.492   2.3576   37.475   4.0863   36.310   4.2158 1.164364 5.871165 
1 1 1    7    8    5 o   94.000   1.7786   69.341   2.6236   69.509   3.4569   69.111   4.0293   94.111   2.3407   93.797   2.7403 0.3134766 3.603884 
1 1 1    7    8    6 o  425.803   2.0136  1422.84   13.455  1414.61   18.945  1431.20   19.113  424.542   2.8436  427.024   2.8521 -2.481842 4.027483 
1 1 1    7    8    7 o  568.039   2.4861  2532.31   22.161  2507.91   31.071  2557.58   31.619  565.241   3.5028  570.809   3.5298 -5.568359 4.972781 
1 1 1    7    8    8 o  374.508   2.6313  1100.76   15.465  1095.34   18.268  1114.46   29.052  373.569   3.1161  376.732   4.9140 -3.163544 5.818718 
1 1 1    7    8    9 o  268.497   1.4981  565.701   6.3121  576.688   9.0564  555.322   8.8024  271.082   2.1289  266.013   2.1086 5.068848 2.996373 
1 1 1    7    8   10 o  334.660   1.6418  878.877   8.6223  875.611   12.194  882.143   12.194  334.021   2.3263  335.264   2.3176 -1.243713 3.283725 
1 1 1    7    8   11 o  258.329   1.4790  523.683   5.9959  523.318   8.5129  524.041   8.4464  258.226   2.1007  258.405   2.0829 -0.1786804 2.958282 
1 1 1    7    8   12 o   69.518   1.8713   37.955   2.0396   40.263   2.9496   35.840   2.8235   71.573   2.6306   67.519   2.6700 4.053116 3.748163 
1 1 1    7    8   13 o  123.441   1.4560  119.580   2.8205  118.956   4.0269  120.180   3.9519  123.109   2.0843  123.742   2.0351 -0.6329193 2.913058 
1 1 1    7    8   14 o   18.035   5.3570   2.5904   1.6264   4.8359   2.3689   0.5883   2.2368   24.318   6.1920   14.813   6.0591 9.504734 8.663344 
1 1 1    7    8   15 o  108.392   1.6439   92.223   2.7963   90.976   4.1515   93.259   3.7832  107.631   2.4579  108.982   2.2121 -1.351204 3.306714 
1 1 1    7    8   16 o   66.231   1.8988   34.473   1.9715   35.623   2.8958   33.480   2.6915   67.270   2.7489   65.221   2.6351 2.049698 3.807930 
1 1 1    7    8   17 o  169.991   1.4299  226.863   3.8144  225.989   5.2933  227.807   5.5014  169.620   1.9886  170.294   2.0586 -0.6743469 2.862195 
1 1 1    7    8   18 o  147.811   1.4065  171.544   3.2625  170.246   4.6631  172.789   4.5663  147.199   2.0187  148.301   1.9621 -1.101028 2.815071 
1 1 1    7    8   19 o   90.729   1.7834   64.677   2.5392   69.945   3.7465   60.201   3.4534   94.255   2.5352   87.440   2.5193 6.814873 3.574049 
1 1 1    7    8   20 o   21.346   5.2933   3.7683   1.7644   4.2260   2.5386   3.3405   2.4541   22.739   6.6769   20.648   6.6583 2.090502 9.429398 
1 1 1    7    8   21 o   36.838   3.3676   10.810   1.9253   9.8888   2.5176   12.108   2.9881   34.961   4.7083   38.669   5.0442 -3.707439 6.900132 
1 1 1    7    8   22 o   65.796   1.9005   34.092   1.9603   34.765   2.8055   33.450   2.7403   66.322   2.7012   65.055   2.6899 1.267105 3.812135 
1 1 1    7    8   23 o   43.324   2.4871   14.867   1.6838   14.399   2.4416   15.291   2.3252   42.391   3.7074   43.761   3.4129 -1.369839 5.039132 
1 1 1    7    8   24 o   64.779   1.9467   33.117   1.9767   32.103   3.0035   33.891   2.6254   63.522   3.0217   65.396   2.5632 -1.873955 3.962392 
1 1 1    7    8   25 o   27.229   3.8474   6.0619   1.5983   6.2922   2.3992   5.8781   2.1430   27.140   5.8085   26.348   5.3654 0.7913380 7.907339 
1 1 1    7    8   26 o   9.9161   4.6080  -1.3969   1.7280  -2.3442   2.6130  -0.6606   2.3036   11.848   5.5582   12.725   5.6772 -0.8772726 7.945094 
1 1 1    7    8   27 o   29.016   3.4853   6.8784   1.5553   8.9295   2.2637   5.0446   2.1405   32.707   4.5319   24.018   5.7545 8.689516 7.324769 
1 1 1    7    8   28 o   37.575   2.5753   11.344   1.5094   11.128   2.2135   11.532   2.0636   36.664   3.9071   37.499   3.5490 -0.8347435 5.278349 
1 1 1    7    8   29 f   13.317   5.5849   0.6880   1.9672  -1.5982   2.8386   2.8008   2.7288   12.648   5.8871   18.239   6.9216 -5.591220 9.086640 
1 1 1    7    8   30 o   18.864   5.8944   3.4001   1.9363   6.3099   2.7876   0.6873   2.6916   24.855   6.9018   14.495   6.3129 10.36066 9.353489 
1 1 1    7    8   31 o   10.949   4.9628  -0.4281   1.8406  -1.7075   2.6539   0.7576   2.5548   11.681   5.5173   14.103   6.1463 -2.422305 8.259376 
1 1 1    7    8   32 o   21.239   5.2849   4.4389   1.7544   1.4462   2.5944   6.9603   2.3814   14.650   6.2883   26.105   5.9464 -11.45488 8.654597 
1 1 1    7    8   33 o   12.112   5.1832   0.9519   1.7527   2.5894   2.7663  -0.1464   2.2655   15.387   6.5458   11.522   5.3271 3.864810 8.439513 
1 1 1    7    9    0 o   84.583   3.3062   56.405   4.3732   56.405   4.3732   56.405   4.3732   84.583   3.3062   84.583   3.3062 0.000000 0.000000 
1 1 1    7    9    1 o   80.010   2.3940   50.287   3.0026   57.631   4.3697   43.719   4.1328   85.621   3.2580   74.541   3.5431 11.08038 4.813333 
1 1 1    7    9    2 o  123.352   1.8080  119.406   3.4999  122.108   4.9634  116.733   4.9361  124.732   2.5357  121.956   2.5791 2.776527 3.616829 
1 1 1    7    9    3 o  403.255   2.3107  1276.21   14.623  1262.63   20.471  1290.36   20.894  401.065   3.2526  405.443   3.2839 -4.378418 4.622020 
1 1 1    7    9    4 o  384.141   2.0483  1158.03   12.348  1163.36   17.538  1152.80   17.388  384.995   2.9027  383.244   2.8911 1.751099 4.096897 
1 1 1    7    9    5 o  135.146   1.6567  143.324   3.5136  142.728   4.9629  143.924   4.9750  134.858   2.3450  135.422   2.3410 -0.5637817 3.313517 
1 1 1    7    9    6 o  181.942   1.6217  259.763   4.6303  260.309   6.5637  259.221   6.5328  182.125   2.2965  181.745   2.2905 0.3808594 3.243533 
1 1 1    7    9    7 o  262.603   1.7294  541.147   7.1269  532.785   10.002  549.772   10.158  260.554   2.4461  264.675   2.4456 -4.120972 3.458953 
1 1 1    7    9    8 o  304.199   2.0097  726.191   9.5937  723.002   12.449  730.856   15.055  303.517   2.6136  305.145   3.1439 -1.628906 4.088370 
1 1 1    7    9    9 o  325.419   1.8861  831.036   9.6318  831.944   13.691  830.146   13.553  325.575   2.6796  325.224   2.6555 0.3513184 3.772531 
1 1 1    7    9   10 o  330.697   1.9870  858.250   10.312  845.512   15.219  869.061   14.020  328.198   2.9549  332.749   2.6850 -4.550537 3.992591 
1 1 1    7    9   11 o  573.417   2.7154  2580.91   24.435  2585.26   34.652  2576.61   34.462  573.796   3.8483  572.837   3.8335 0.9584961 5.431858 
1 1 1    7    9   12 o   90.977   1.9448   64.959   2.7766   63.541   4.0014   66.276   3.8561   89.922   2.8391   91.847   2.6782 -1.924637 3.902986 
1 1 1    7    9   13 o  113.013   1.7412  100.241   3.0880   98.942   4.4196  101.479   4.3165  112.263   2.5086  113.696   2.4192 -1.432297 3.485095 
1 1 1    7    9   14 o  130.601   1.6510  133.880   3.3837  128.451   4.8008  139.240   4.7699  127.902   2.3918  133.170   2.2824 -5.267410 3.306080 
1 1 1    7    9   15 o   59.465   2.3892   27.820   2.2250   26.442   3.1924   29.122   3.1029   57.878   3.5315   60.775   3.2654 -2.896988 4.809825 
1 1 1    7    9   16 o  143.387   1.6321  161.428   3.6725  157.435   5.2376  165.290   5.1509  141.553   2.3578  145.049   2.2629 -3.495895 3.268016 
1 1 1    7    9   17 o   68.551   2.1662   36.962   2.3274   37.248   3.3624   36.698   3.2248   68.728   3.1257   68.229   3.0193 0.4993820 4.345826 
1 1 1    7    9   18 o  174.538   1.7013  239.290   4.6600  236.723   7.0126  241.320   6.2361  173.478   2.5759  175.203   2.2681 -1.725128 3.432137 
1 1 1    7    9   19 o   64.432   2.4339   32.710   2.4565   32.673   3.6474   32.740   3.3233   64.232   3.6333   64.350   3.3019 -0.1174774 4.909527 
1 1 1    7    9   20 o  125.870   1.8595  124.555   3.6731  119.877   5.3684  128.673   5.0364  123.338   2.7736  127.832   2.5106 -4.494530 3.741115 
1 1 1    7    9   21 o   24.663   7.0302   5.0605   2.8531   3.9591   4.2035   6.0014   3.8850   23.796   8.6738   26.968   8.3370 -3.171131 12.03079 
1 1 1    7    9   22 o   70.861   2.5609   39.674   2.8431   40.318   4.0932   39.074   3.9520   71.175   3.6771   70.084   3.6053 1.090668 5.149714 
1 1 1    7    9   23 o   73.336   2.4035   42.517   2.7624   41.667   3.7982   43.471   4.0250   72.343   3.3547   73.855   3.4826 -1.511734 4.835548 
1 1 1    7    9   24 o   29.342   4.5317   7.0957   2.0195   4.7921   2.9756   9.0631   2.7498   23.704   7.2907   32.903   5.5210 -9.198090 9.145266 
1 1 1    7    9   25 o   24.259   4.8229   4.9511   1.7714   3.7152   2.4751   6.2488   2.5362   20.994   6.6783   26.889   6.1450 -5.894974 9.075244 
1 1 1    7    9   26 o   52.522   2.4659   21.958   2.0268   22.919   2.8780   21.012   2.8548   53.300   3.4595   50.970   3.5921 2.330097 4.987140 
1 1 1    7    9   27 o   21.812   5.4461   4.1558   1.8584  -0.0698   2.5736   8.7597   2.6863   14.072   6.1501   31.830   5.5811 -17.75839 8.304946 
1 1 1    7    9   28 o   21.322   4.5041   3.9281   1.4598   4.5347   2.1182   3.3793   2.0147   22.359   5.9376   19.436   6.0028 2.922632 8.443274 
1 1 1    7    9   29 o   13.518   4.8425   1.4515   1.3031   1.7392   1.9253   1.2082   1.7702   15.148   5.7982   13.777   5.4758 1.370696 7.975187 
1 1 1    7    9   30 o   16.118   5.7906   2.3316   1.8648   3.4531   2.6817   1.2816   2.5948   18.758   6.9131   15.045   6.3675 3.712750 9.398706 
1 1 1    7    9   31 o   22.816   5.2542   4.9511   1.8424   3.0575   2.6139   6.8208   2.5973   17.669   6.7577   25.792   6.4377 -8.122770 9.333266 
1 1 1    7    9   32 o   18.616   5.5950   3.6013   1.7661   4.3497   2.5001   2.8558   2.4953   19.364   6.7273   16.480   6.5169 2.884035 9.366202 
1 1 1    7    9   33 o   10.425   4.7426  -0.0433   1.7000   1.6464   2.3930  -1.7648   2.4155   13.757   5.9725   10.287   4.9665 3.470115 7.767630 
1 1 1    7   10    0 o   14.985   7.8741   2.5517   2.4498   2.5517   2.4498   2.5517   2.4498   14.985   7.8741   14.985   7.8741 -0.000000 0.000000 
1 1 1    7   10    1 o   73.773   1.9217   42.739   2.2229   40.128   3.1151   45.448   3.1729   71.450   2.7835   76.050   2.6627 -4.600189 3.852000 
1 1 1    7   10    2 o  223.148   1.4546  390.744   5.0938  391.004   7.2143  390.486   7.1932  223.214   2.0595  223.066   2.0549 0.1479645 2.909301 
1 1 1    7   10    3 o  223.202   1.5641  390.937   5.4785  391.761   7.7871  390.129   7.7091  223.428   2.2209  222.962   2.2033 0.4656219 3.128396 
1 1 1    7   10    4 o  316.763   1.7403  787.386   8.6512  787.101   12.249  787.669   12.220  316.691   2.4648  316.805   2.4579 -0.1143188 3.480857 
1 1 1    7   10    5 o  397.613   1.9656  1240.65   12.265  1231.95   17.277  1249.49   17.414  396.192   2.7787  399.003   2.7811 -2.810852 3.931418 
1 1 1    7   10    6 o  288.187   1.7579  651.733   7.9500  637.576   10.693  669.231   11.888  285.028   2.3905  292.013   2.5941 -6.985260 3.527629 
1 1 1    7   10    7 o  191.562   1.5739  287.961   4.7313  290.772   6.7541  285.253   6.6298  192.487   2.2360  190.652   2.2159 1.835358 3.147977 
1 1 1    7   10    8 o  547.409   2.8739  2352.00   24.688  2351.09   31.890  2353.36   39.004  547.245   3.7133  547.438   4.5401 -0.1930542 5.865273 
1 1 1    7   10    9 o  260.472   1.5205  532.409   6.2153  522.539   8.6923  542.736   8.8907  258.033   2.1466  262.972   2.1544 -4.939209 3.041253 
1 1 1    7   10   10 o  166.962   1.4919  218.756   3.9089  214.843   5.3740  223.152   5.6961  165.454   2.0697  168.622   2.1526 -3.167862 2.986214 
1 1 1    7   10   11 f  280.491   1.5555  617.411   6.8470  621.221   9.7370  613.684   9.6302  281.335   2.2054  279.623   2.1946 1.711426 3.111317 
1 1 1    7   10   12 o  190.894   1.4465  285.978   4.3334  282.270   6.1375  289.664   6.1192  189.637   2.0624  192.105   2.0298 -2.468384 2.893677 
1 1 1    7   10   13 o   48.775   2.8137   18.745   2.1446   13.493   3.1209   23.444   2.9518   41.122   4.9347   54.515   3.4684 -13.39303 6.031670 
1 1 1    7   10   14 o  111.863   1.6784   98.230   2.9464  100.533   4.2624   96.123   4.0775  113.140   2.4007  110.632   2.3486 2.507133 3.358447 
1 1 1    7   10   15 o  255.776   1.6194  513.631   6.5001  510.227   9.2623  516.935   9.1242  254.848   2.3160  256.525   2.2665 -1.676361 3.240482 
1 1 1    7   10   16 o  106.462   1.7055   89.005   2.8495   88.239   4.1491   89.689   3.9201  105.954   2.4954  106.832   2.3383 -0.8782272 3.419685 
1 1 1    7   10   17 o  135.794   1.4992  144.801   3.1949  140.478   4.5368  149.054   4.5000  133.697   2.1624  137.725   2.0821 -4.028275 3.001784 
1 1 1    7   10   18 o   71.082   1.9607   39.740   2.1851   40.445   3.1471   39.083   3.0362   71.622   2.8054   70.410   2.7531 1.211769 3.930622 
1 1 1    7   10   19 o   90.066   1.7644   63.752   2.4938   59.849   3.5015   67.769   3.5525   87.151   2.5630   92.760   2.4425 -5.609390 3.540488 
1 1 1    7   10   20 o   50.732   2.5296   20.324   2.0076   20.337   2.8869   20.311   2.7936   50.574   3.6623   50.563   3.5431 0.1105118E-01 5.095725 
1 1 1    7   10   21 o   97.166   1.8571   74.275   2.8317   74.031   4.3692   74.452   3.7184   96.788   2.8798   97.160   2.4407 -0.3719177 3.774913 
1 1 1    7   10   22 o   57.486   2.2234   26.094   2.0020   25.724   2.8712   26.443   2.7929   56.880   3.2298   57.702   3.0957 -0.8220520 4.473800 
1 1 1    7   10   23 o   52.595   2.3310   21.894   1.9192   21.524   2.7412   22.249   2.6878   51.902   3.3840   52.806   3.2593 -0.9042664 4.698352 
1 1 1    7   10   24 o   70.128   2.4257   38.981   2.6656   38.126   3.8696   39.753   3.6772   68.943   3.5889   70.507   3.3328 -1.563950 4.897680 
1 1 1    7   10   25 o   30.079   4.1642   7.4469   1.9130   4.9800   2.6948   9.9529   2.7161   23.843   6.8440   34.459   5.1832 -10.61521 8.585163 
1 1 1    7   10   26 o   11.180   4.8911  -0.2088   1.6314  -1.6225   2.2828   1.2669   2.3323   11.500   5.3276   15.625   6.2602 -4.124813 8.220331 
1 1 1    7   10   27 o   16.186   5.4735   2.1405   1.6522   1.4064   2.4451   2.7572   2.2412   15.920   6.3990   18.265   6.3680 -2.344470 9.027699 
1 1 1    7   10   28 o   20.855   5.1499   3.8873   1.6753   4.3586   2.4036   3.4421   2.3363   21.560   6.5375   19.456   6.5084 2.104153 9.224820 
1 1 1    7   10   29 o   21.063   5.6141   4.1681   1.8893   3.3761   2.7504   4.8756   2.5997   18.938   6.9972   22.072   6.8192 -3.134447 9.770525 
1 1 1    7   10   30 o   31.105   3.2097   8.1285   1.5443   7.2107   2.2132   8.9994   2.1559   27.820   5.2619   31.845   4.4340 -4.025038 6.880994 
1 1 1    7   10   31 f   11.027   5.0859  -0.7306   2.0467  -2.8754   2.9366   1.2954   2.8541   11.291   5.4571   15.018   6.5211 -3.727032 8.503189 
1 1 1    7   10   32 o   15.334   5.7275   2.4383   1.8522   3.5634   2.6376   1.3439   2.6015   17.299   6.7420   13.957   6.1390 3.342026 9.118185 
1 1 1    7   11    0 f  165.730   2.4571  215.678   6.3871  215.678   6.3871  215.678   6.3871  165.730   2.4571  165.730   2.4571 -0.000000 0.000000 
1 1 1    7   11    1 o  288.606   1.6926  653.620   7.6658  654.125   10.816  653.112   10.866  288.704   2.3874  288.480   2.4002 0.2239380 3.385344 
1 1 1    7   11    2 o  303.362   1.6124  722.161   7.6760  721.560   10.850  722.762   10.860  303.223   2.2802  303.475   2.2804 -0.2523193 3.224880 
1 1 1    7   11    3 o  395.325   1.8432  1226.40   11.435  1224.54   16.147  1228.27   16.196  395.004   2.6049  395.605   2.6088 -0.6008301 3.686646 
1 1 1    7   11    4 o  586.223   2.4086  2697.02   22.159  2698.81   31.353  2695.23   31.322  586.362   3.4072  585.973   3.4061 0.3892212 4.817745 
1 1 1    7   11    5 o  564.960   2.3450  2504.92   20.791  2498.60   29.321  2511.31   29.486  564.195   3.3116  565.628   3.3218 -1.433167 4.690539 
1 1 1    7   11    6 f  278.877   1.6950  610.305   7.4180  616.512   9.8555  602.194   11.267  280.280   2.2407  276.998   2.5919 3.282349 3.426158 
1 1 1    7   11    7 o  396.628   1.9108  1234.55   11.893  1212.69   17.171  1254.71   16.489  393.068   2.7837  399.827   2.6280 -6.759033 3.828172 
1 1 1    7   11    8 o   40.127   4.1252   12.778   2.5608   13.698   3.6896   11.923   3.5570   41.341   5.8504   38.479   6.0932 2.862015 8.447161 
1 1 1    7   11    9 o   68.359   2.5566   36.729   2.7377   36.159   3.9684   37.247   3.7818   67.757   3.7467   68.787   3.5150 -1.030136 5.137412 
1 1 1    7   11   10 f  268.093   1.8050  564.068   7.5942  556.819   10.741  571.314   10.739  266.338   2.5697  269.784   2.5365 -3.445709 3.610735 
1 1 1    7   11   11 o  192.129   1.7227  289.708   5.1940  291.349   7.4382  288.146   7.2559  192.649   2.4603  191.589   2.4133 1.060379 3.446354 
1 1 1    7   11   12 o  315.312   1.7683  780.371   8.7501  782.874   12.426  777.910   12.324  315.765   2.5076  314.763   2.4949 1.001617 3.537287 
1 1 1    7   11   13 o  316.806   1.7693  787.887   8.7961  795.107   12.574  780.968   12.310  318.178   2.5182  315.340   2.4875 2.837982 3.539591 
1 1 1    7   11   14 o  150.831   1.4991  178.593   3.5484  177.725   5.0522  179.439   4.9849  150.427   2.1402  151.153   2.1015 -0.7264404 2.999460 
1 1 1    7   11   15 o   39.964   3.1191   12.640   1.9407   12.486   2.7559   12.791   2.7334   39.532   4.5236   40.032   4.4247 -0.5000839 6.327803 
1 1 1    7   11   16 o   47.756   2.6238   17.988   1.9588   17.733   2.8329   18.222   2.7115   47.273   3.8520   47.955   3.6300 -0.6813354 5.292872 
1 1 1    7   11   17 o   57.476   2.3144   26.018   2.0833   28.111   3.0405   24.165   2.8601   59.642   3.2610   55.279   3.3121 4.363613 4.648025 
1 1 1    7   11   18 o   67.940   2.1354   36.333   2.2738   37.255   3.2605   35.460   3.1727   68.688   3.0323   67.010   3.0248 1.677315 4.283021 
1 1 1    7   11   19 o  164.153   1.5058  211.709   3.8792  210.321   5.5247  213.060   5.4480  163.503   2.1532  164.574   2.1095 -1.070114 3.014280 
1 1 1    7   11   20 o  106.586   1.6799   89.312   2.8099   85.407   4.0254   93.023   3.9240  104.114   2.4637  108.686   2.3006 -4.571999 3.370901 
1 1 1    7   11   21 o   11.884   5.1914  -0.3251   1.8318  -5.1098   2.6317   4.1721   2.5514   10.023   4.9149   22.453   6.7193 -12.42980 8.324986 
1 1 1    7   11   22 o   81.220   1.9054   51.969   2.4286   53.660   3.3910   50.188   3.4798   82.341   2.6276   79.586   2.7905 2.754555 3.832880 
1 1 1    7   11   23 o   69.130   2.0027   37.737   2.1704   40.894   3.1786   34.979   2.9708   71.743   2.8287   66.334   2.8605 5.409279 4.022974 
1 1 1    7   11   24 o   40.121   3.3361   12.949   2.0815   12.163   3.0404   13.643   2.8557   38.214   5.2051   40.776   4.5396 -2.561821 6.906625 
1 1 1    7   11   25 o   26.447   4.5007   5.8478   1.8010   4.4232   2.5747   7.2127   2.5203   22.495   6.7542   28.949   5.7504 -6.454191 8.870520 
1 1 1    7   11   26 o   23.410   4.9482   4.7015   1.7609   4.5469   2.4904   4.8561   2.4901   22.589   6.6078   23.314   6.5413 -0.7249184 9.297910 
1 1 1    7   11   27 o   27.200   4.6165   6.3203   1.9002   9.5067   2.6881   3.1380   2.6864   33.065   5.3641   19.302   6.9482 13.76336 8.777888 
1 1 1    7   11   28 o   30.960   3.6259   8.0285   1.7283   7.2796   2.4569   8.7623   2.4318   28.187   5.7493   31.452   5.1015 -3.265245 7.686332 
1 1 1    7   11   29 o   21.836   4.8443   4.3429   1.6166   5.4648   2.3245   3.2919   2.2498   23.597   6.1984   18.489   6.3838 5.107935 8.897914 
1 1 1    7   11   30 o   10.482   4.7755  -0.5316   1.7314   2.7504   2.5123  -3.5003   2.3894   17.139   6.6071   9.6569   4.7243 7.481955 8.122372 
1 1 1    7   11   31 o   12.529   4.9155   1.1890   1.4098   1.9403   2.1081   0.5811   1.8962   14.944   5.9637   12.295   5.3273 2.648395 7.996602 
1 1 1    7   11   32 f   16.461   5.5562   2.9648   1.7024   3.3674   2.0778   2.1427   2.9695   16.994   6.1115   14.894   6.5546 2.100693 8.961819 
1 1 1    7   12    0 f  360.801   2.5248  1021.70   14.294  1021.70   14.294  1021.70   14.294  360.801   2.5248  360.801   2.5248 0.000000 0.000000 
1 1 1    7   12    1 o   99.187   2.0890   77.207   3.2517   84.102   4.7347   71.051   4.4735  103.474   2.9187   95.096   3.0014 8.377037 4.186552 
1 1 1    7   12    2 o  209.685   1.8500  345.036   6.0875  338.196   8.0892  353.969   9.2442  207.587   2.4831  212.367   2.7738 -4.779770 3.722877 
1 1 1    7   12    3 o   99.710   2.1405   78.024   3.3494   76.157   4.7197   79.917   4.7539   98.454   3.0584  100.860   3.0068 -2.405701 4.288946 
1 1 1    7   12    4 o  361.646   2.0449  1026.39   11.605  1025.22   16.351  1027.58   16.474  361.411   2.8830  361.826   2.9012 -0.4148254 4.090116 
1 1 1    7   12    5 o  378.952   2.0942  1127.00   12.454  1115.64   17.466  1138.75   17.762  377.004   2.9522  380.887   2.9717 -3.882996 4.188789 
1 1 1    7   12    6 o  114.510   2.1621  102.911   3.8854  104.710   5.4042  100.986   5.5901  115.457   2.9852  113.377   3.1449 2.080139 4.336071 
1 1 1    7   12    7 o   75.146   2.2298   44.359   2.6266   39.142   3.5997   50.299   3.8413   70.536   3.2608   79.988   3.0659 -9.451874 4.475768 
1 1 1    7   12    8 o   95.294   2.0284   71.269   3.0334   73.676   4.3985   69.085   4.1890   96.836   2.8977   93.770   2.8500 3.066063 4.064359 
1 1 1    7   12    9 o  383.235   1.9494  1152.69   11.724  1149.25   16.487  1156.20   16.675  382.619   2.7458  383.771   2.7688 -1.152710 3.899469 
1 1 1    7   12   10 o  159.348   1.6218  199.280   4.0556  202.924   5.7240  195.607   5.7470  160.783   2.2686  157.855   2.3199 2.927109 3.244788 
1 1 1    7   12   11 o  332.237   1.8116  866.413   9.4454  867.727   13.315  865.083   13.402  332.431   2.5522  331.923   2.5728 0.5086975 3.623989 
1 1 1    7   12   12 o   82.785   2.0475   53.808   2.6600   53.549   3.7095   54.082   3.8166   82.512   2.8691   82.917   2.9377 -0.4053497 4.106351 
1 1 1    7   12   13 o  215.826   1.6124  365.694   5.4612  362.658   7.6297  368.884   7.8205  214.873   2.2626  216.706   2.2996 -1.832901 3.226110 
1 1 1    7   12   14 o   94.695   1.8935   70.425   2.8139   73.188   3.9749   67.649   3.9840   96.458   2.6284   92.723   2.7409 3.734604 3.797513 
1 1 1    7   12   15 o  117.313   1.7740  108.092   3.2660  107.295   4.4471  109.025   4.8120  116.831   2.4256  117.753   2.6040 -0.9214096 3.558697 
1 1 1    7   12   16 o   11.419   5.3125  -2.0809   2.3070  -1.9684   3.1835  -2.2053   3.3480   14.210   6.4746   14.440   6.6022 -0.2293959 9.247126 
1 1 1    7   12   17 o   97.065   2.1269   74.079   3.2398   78.547   4.4483   69.030   4.7281   99.829   2.8423   93.519   3.2265 6.309608 4.299836 
1 1 1    7   12   18 o   83.754   2.3411   55.247   3.0741   56.733   4.1875   53.511   4.5271   84.745   3.1542   82.232   3.5162 2.512741 4.723642 
1 1 1    7   12   19 o   71.852   2.1617   40.667   2.4347   40.471   3.5354   40.844   3.3577   71.521   3.1577   71.882   2.9830 -0.3607712 4.343908 
1 1 1    7   12   20 o   46.037   3.0190   16.820   2.1691   13.492   3.1094   19.974   3.0275   40.793   4.9589   50.012   3.8880 -9.219227 6.301368 
1 1 1    7   12   21 f   39.451   3.3395   12.433   2.0481   8.7175   2.9004   16.129   2.8924   32.305   5.9400   44.768   4.1648 -12.46313 7.254596 
1 1 1    7   12   22 f   58.903   2.6487   27.519   2.4421   27.348   3.6209   27.662   3.3075   58.329   3.9796   58.789   3.6024 -0.4606400 5.367888 
1 1 1    7   12   23 f   51.140   2.5958   20.786   2.0764   22.781   3.0023   18.956   2.8749   53.234   3.6153   48.472   3.8101 4.761997 5.252325 
1 1 1    7   12   24 o   56.010   2.7871   25.024   2.4421   26.467   3.6314   23.832   3.2996   57.084   4.0806   54.233   3.9031 2.851513 5.646724 
1 1 1    7   12   25 o   45.380   2.9053   16.518   2.0582   16.326   3.0069   16.687   2.8231   44.519   4.3598   45.169   4.0249 -0.6497574 5.933616 
1 1 1    7   12   26 f   30.333   4.2460   7.6902   1.9659   9.4343   2.7664   5.9110   2.7941   33.005   5.5370   25.428   6.8495 7.576229 8.807615 
1 1 1    7   12   27 o   15.081   5.9783   1.4407   2.1046   1.5272   3.0262   1.3596   2.9290   16.789   6.9751   16.395   6.8408 0.3940010 9.769814 
1 1 1    7   12   28 o   14.393   5.5650   1.5150   1.7861   4.7597   2.5648  -1.5403   2.4888   21.918   6.7736   11.691   5.4651 10.22755 8.703344 
1 1 1    7   12   29 o   17.563   5.9803   2.9522   1.9726   2.0198   2.7795   3.8983   2.7999   16.294   6.7190   19.498   7.0832 -3.204433 9.763036 
1 1 1    7   12   30 o   11.039   4.8775   0.0387   1.6597  -2.9335   2.3641   2.9275   2.3307   9.9259   4.8208   17.270   6.4301 -7.344497 8.036516 
1 1 1    7   12   31 o   12.527   5.0759   1.1753   1.5523  -0.8225   2.2539   2.9779   2.1410   11.108   5.1954   16.656   6.1701 -5.547566 8.066071 
1 1 1    7   12   32 o   11.039   4.6326   0.7953   1.3550  -2.5166   2.0067   3.5711   1.8371   8.7781   4.3017   17.596   5.7672 -8.818133 7.194793 
1 1 1    7   13    0 o  332.732   2.4271  868.940   12.672  868.940   12.672  868.940   12.672  332.732   2.4271  332.732   2.4271 -0.000000 0.000000 
1 1 1    7   13    1 o  221.439   1.5554  384.794   5.4050  384.015   7.6615  385.566   7.6262  221.203   2.2071  221.649   2.1925 -0.4465637 3.110958 
1 1 1    7   13    2 o   77.216   2.3346   46.837   2.8257   42.900   3.9302   51.049   4.0654   73.846   3.4006   80.577   3.2215 -6.731567 4.684232 
1 1 1    7   13    3 o  439.799   2.1287  1518.01   14.692  1515.46   20.729  1520.58   20.827  439.385   3.0063  440.125   3.0153 -0.7400818 4.257958 
1 1 1    7   13    4 o  226.609   1.7102  402.990   6.0818  414.696   8.9656  393.013   8.2776  229.859   2.4855  223.772   2.3572 6.086487 3.425479 
1 1 1    7   13    5 o   80.115   2.2899   50.417   2.8761   51.095   4.0572   49.732   4.0776   80.611   3.2136   79.524   3.2744 1.087074 4.587923 
1 1 1    7   13    6 o  258.877   1.7696  525.935   7.1893  540.008   11.600  517.159   9.1607  262.285   2.8183  256.694   2.2741 5.590729 3.621356 
1 1 1    7   13    7 o  330.648   1.7226  857.997   8.9382  874.417   12.814  842.436   12.474  333.767   2.4464  327.608   2.4263 6.159424 3.445541 
1 1 1    7   13    8 o  252.951   1.6939  502.156   6.7242  498.873   10.181  504.697   8.9555  252.089   2.5734  253.570   2.2505 -1.481155 3.418690 
1 1 1    7   13    9 o   64.541   2.4937   32.751   2.5209   34.100   3.5773   31.420   3.5531   65.797   3.4769   63.141   3.6007 2.655518 5.005342 
1 1 1    7   13   10 o  137.155   1.8611  147.663   4.0058  146.947   5.7703  148.329   5.5654  136.792   2.6880  137.439   2.5804 -0.6462708 3.726053 
1 1 1    7   13   11 o   97.298   1.8267   74.320   2.7892   77.735   3.9840   71.036   3.9063   99.451   2.5548   95.062   2.6210 4.389153 3.660145 
1 1 1    7   13   12 o  300.588   1.6579  709.364   7.8206  709.457   11.079  709.271   11.041  300.521   2.3492  300.483   2.3414 0.3823853E-01 3.316779 
1 1 1    7   13   13 o  169.113   1.5433  224.542   4.0957  221.578   5.7787  227.534   5.8059  167.942   2.1926  170.186   2.1739 -2.243927 3.087638 
1 1 1    7   13   14 o   26.701   5.0632   5.8209   2.0440   5.7857   2.8773   5.8568   2.9042   26.476   6.8677   26.635   6.8949 -0.1590977 9.731630 
1 1 1    7   13   15 o   22.533   5.7803   4.1850   2.0538   6.1696   2.9110   2.2180   2.8980   27.283   6.8185   19.126   7.1602 8.157267 9.887402 
1 1 1    7   13   16 o   60.783   2.4776   29.116   2.3583   28.358   3.2971   29.909   3.3746   59.852   3.5259   61.475   3.5126 -1.622372 4.977010 
1 1 1    7   13   17 o   78.383   2.0313   48.345   2.4965   46.195   3.5383   50.476   3.5230   76.498   2.9530   79.991   2.8109 -3.492989 4.076892 
1 1 1    7   13   18 o   65.077   2.3021   33.380   2.3474   28.351   3.3259   38.370   3.3134   59.774   3.5618   69.667   3.0380 -9.892902 4.681445 
1 1 1    7   13   19 o   36.672   3.7379   10.767   2.1211   9.3352   3.0642   12.084   2.9390   33.572   6.0381   38.596   4.9673 -5.023888 7.818711 
1 1 1    7   13   20 o   84.876   1.9718   56.730   2.6264   62.814   3.7871   51.092   3.6455   89.129   2.7108   80.330   2.8966 8.798912 3.967177 
1 1 1    7   13   21 o   67.796   2.3784   36.347   2.5265   34.961   3.6259   37.655   3.5225   66.189   3.5033   68.770   3.2733 -2.581551 4.794556 
1 1 1    7   13   22 o   44.335   4.0362   15.903   2.7774   14.160   3.9601   17.591   3.8964   40.905   6.3770   46.080   5.4964 -5.174332 8.418785 
1 1 1    7   13   23 o   55.202   2.6705   24.258   2.3065   21.790   3.4993   26.154   3.0671   51.696   4.3538   57.059   3.4414 -5.362392 5.549603 
1 1 1    7   13   24 o   31.217   5.2355   8.2517   2.4741   4.1209   3.5288   12.245   3.4697   22.328   7.9722   37.752   6.0618 -15.42402 10.01503 
1 1 1    7   13   25 o   12.902   5.6490  -0.1737   2.1800  -0.8268   3.0925   0.4715   3.0734   14.477   6.5090   15.936   6.8425 -1.459579 9.443870 
1 1 1    7   13   26 o   40.509   3.6819   13.505   2.3151   16.698   3.3542   10.600   3.1993   44.320   4.9046   34.466   6.1402 9.854259 7.858586 
1 1 1    7   13   27 o   28.473   5.1083   7.2050   2.1987   5.3366   3.1377   9.0075   3.0818   23.088   7.5352   30.805   6.5753 -7.716915 10.00068 
1 1 1    7   13   28 f   28.486   4.9086   7.3174   2.1151   3.5219   2.8977   11.645   3.0942   19.053   7.1542   35.239   5.7967 -16.18580 9.207856 
1 1 1    7   13   29 o   14.281   5.5777   1.6031   1.8083   2.1826   2.5014   0.9687   2.6172   16.129   6.4760   14.449   6.2595 1.679780 9.006655 
1 1 1    7   13   30 o   11.620   5.0665   0.3427   1.7378  -1.6697   2.3870   2.6124   2.5350   10.880   5.1662   16.517   6.5566 -5.637005 8.347400 
1 1 1    7   13   31 o   13.681   5.2956   1.7827   1.6187   1.2691   2.3154   2.2736   2.2639   13.407   5.8470   14.914   6.0975 -1.506948 8.447855 
1 1 1    7   14    0 f   29.046   8.6917   8.1817   3.4500   8.1817   3.4500   8.1817   3.4500   29.046   8.6917   29.046   8.6917 0.000000 0.000000 
1 1 1    7   14    1 o  165.715   1.6261  215.506   4.2288  208.806   5.9586  222.305   6.0026  163.107   2.3279  168.298   2.2728 -5.190582 3.253390 
1 1 1    7   14    2 o  195.469   1.5867  299.841   4.8672  304.057   6.9404  295.760   6.8274  196.826   2.2470  194.122   2.2411 2.703873 3.173575 
1 1 1    7   14    3 o   73.249   2.3946   42.157   2.7489   40.078   3.8750   44.264   3.9003   71.362   3.4706   75.013   3.3214 -3.651688 4.803841 
1 1 1    7   14    4 o  357.646   1.7963  1003.83   10.082  993.937   14.138  1014.07   14.381  355.847   2.5318  359.432   2.5496 -3.585052 3.593092 
1 1 1    7   14    5 f  217.680   1.5908  371.862   5.4343  376.009   7.7209  367.792   7.6502  218.873   2.2479  216.468   2.2520 2.405060 3.181899 
1 1 1    7   14    6 o   71.418   2.4452   40.085   2.7365   39.416   3.8627   40.760   3.8773   70.759   3.4893   71.962   3.4433 -1.202507 4.902247 
1 1 1    7   14    7 o  244.629   1.6042  469.665   6.1583  465.814   8.7025  473.529   8.7160  243.597   2.2765  245.607   2.2613 -2.009720 3.208739 
1 1 1    7   14    8 o  225.409   1.5967  398.778   5.6479  404.962   8.0960  392.915   7.8831  227.119   2.2715  223.717   2.2454 3.402405 3.193955 
1 1 1    7   14    9 o  111.736   1.9315   98.011   3.3869   95.026   4.6979  101.242   4.8874  109.995   2.7216  113.535   2.7431 -3.539818 3.864146 
1 1 1    7   14   10 o   63.662   2.8583   31.909   2.8483   34.885   4.3358   29.649   3.7778   66.449   4.1790   61.263   3.9505 5.185860 5.750701 
1 1 1    7   14   11 o   59.837   2.7600   28.200   2.5847   33.467   3.6675   23.003   3.6434   65.117   3.6030   53.860   4.3475 11.25706 5.646430 
1 1 1    7   14   12 o  114.442   1.8606  102.859   3.3415  104.785   4.6992  100.889   4.7524  115.459   2.5935  113.286   2.6732 2.173088 3.724534 
1 1 1    7   14   13 o   60.256   2.6843   28.609   2.5319   26.691   3.5093   30.691   3.6566   58.062   3.8736   62.294   3.7580 -4.231419 5.396963 
1 1 1    7   14   14 o   86.181   2.0116   58.363   2.7206   55.004   3.8247   61.804   3.8707   83.545   2.9217   88.581   2.7879 -5.036407 4.038445 
1 1 1    7   14   15 o   98.655   1.8548   76.483   2.8717   78.585   4.0756   74.411   4.0468   99.896   2.6020   97.197   2.6556 2.698334 3.717869 
1 1 1    7   14   16 o   55.656   2.6763   24.451   2.3307   21.114   3.2943   27.795   3.2978   51.491   4.1110   59.219   3.5652 -7.727795 5.441556 
1 1 1    7   14   17 o   25.636   5.8844   5.4671   2.3171   3.2127   3.2574   7.7762   3.2967   21.363   7.6559   30.448   7.0401 -9.085150 10.40074 
1 1 1    7   14   18 f   52.888   2.9448   22.149   2.4345   19.390   3.4176   24.991   3.4687   49.169   4.4782   55.989   3.9736 -6.819611 5.987025 
1 1 1    7   14   19 o   85.435   2.1297   57.500   2.8554   56.178   4.0206   58.846   4.0559   84.218   3.0472   86.209   3.0025 -1.990730 4.277885 
1 1 1    7   14   20 o   13.038   5.6385  -0.1463   2.1162   0.8356   2.9477  -1.1905   3.0400   16.679   6.9026   14.384   6.4615 2.294864 9.455016 
1 1 1    7   14   21 o   59.519   2.5448   28.090   2.3714   28.679   3.2526   27.423   3.4649   59.871   3.4768   58.431   3.7993 1.439320 5.150017 
1 1 1    7   14   22 o   34.153   4.0122   9.5091   2.1094   8.7334   2.9514   10.319   3.0160   31.956   6.1079   34.979   5.6898 -3.022202 8.347492 
1 1 1    7   14   23 o   26.369   5.1798   5.9063   2.0670   8.0853   2.9525   3.8119   2.8946   30.462   6.3810   21.363   7.2448 9.099295 9.654275 
1 1 1    7   14   24 o   43.305   3.8402   15.309   2.5827   11.388   3.4891   20.061   3.8413   36.070   6.3983   48.951   5.0740 -12.88071 8.166005 
1 1 1    7   14   25 o   57.706   2.8025   26.753   2.5303   27.959   3.6150   25.594   3.5427   58.318   3.9738   55.719   4.0799 2.599724 5.695316 
1 1 1    7   14   26 o   17.631   6.0375   2.6979   2.0111   1.9084   2.8985   3.4307   2.7925   17.129   6.9378   19.649   7.0827 -2.519955 9.914539 
1 1 1    7   14   27 o   13.043   5.4948   0.6820   1.9179   0.6693   2.7304   0.6945   2.6946   14.685   6.3773   14.652   6.3494 0.3263092E-01 8.999209 
1 1 1    7   14   28 o   16.840   5.9134   2.6596   1.9347   4.1410   2.7190   1.1402   2.7536   19.960   7.0100   14.994   6.4577 4.966089 9.531116 
1 1 1    7   14   29 o   10.693   4.8816  -0.5232   1.8210  -2.2687   2.5592   1.2666   2.5916   10.903   5.2245   14.688   6.2945 -3.785287 8.180248 
1 1 1    7   14   30 o   9.0521   4.3790  -2.1324   1.9014   0.2093   2.7525  -4.2696   2.6296   13.124   5.9952   9.5131   4.7113 3.610810 7.624856 
1 1 1    7   14   31 o   10.883   4.9377   0.1237   1.8275  -1.7665   2.6595   1.8148   2.5155   10.710   5.1807   13.995   6.0990 -3.284505 8.002302 
1 1 1    7   15    0 o  263.638   2.3615  545.606   9.7684  545.606   9.7684  545.606   9.7684  263.638   2.3615  263.638   2.3615 0.000000 0.000000 
1 1 1    7   15    1 o  179.516   1.6817  252.909   4.7375  255.707   6.7367  250.172   6.6634  180.489   2.3784  178.525   2.3784 1.964096 3.363627 
1 1 1    7   15    2 o  197.048   1.6386  304.722   5.0670  299.440   7.1546  310.037   7.1770  195.314   2.3342  198.741   2.3012 -3.427078 3.277802 
1 1 1    7   15    3 o  251.854   1.6499  497.807   6.5211  500.439   9.2570  495.215   9.1878  252.493   2.3362  251.172   2.3310 1.320923 3.300206 
1 1 1    7   15    4 o  141.078   1.7175  156.207   3.8024  158.773   5.4364  153.750   5.3203  142.215   2.4359  139.948   2.4225 2.266998 3.435416 
1 1 1    7   15    5 o  101.558   1.9691   80.957   3.1382   86.029   4.4964   76.141   4.3819  104.637   2.7406   98.431   2.8397 6.206230 3.946537 
1 1 1    7   15    6 o  106.337   1.9162   88.760   3.1977   85.880   4.5248   91.633   4.5198  104.540   2.7605  108.025   2.6662 -3.484734 3.837829 
1 1 1    7   15    7 o  110.969   1.8480   96.665   3.2182   97.839   4.6133   95.551   4.4917  111.616   2.6338  110.304   2.5948 1.311287 3.697295 
1 1 1    7   15    8 o  111.732   1.8339   98.008   3.2155   93.538   4.6350  102.155   4.4646  109.121   2.7067  114.046   2.4946 -4.925034 3.680903 
1 1 1    7   15    9 o   55.663   2.8063   24.411   2.4434   23.862   3.4474   24.964   3.4637   54.912   4.0285   56.181   3.9539 -1.268978 5.644671 
1 1 1    7   15   10 o   84.877   2.3464   56.645   3.1223   54.200   4.5634   58.797   4.2813   82.914   3.5151   86.403   3.1628 -3.488853 4.728591 
1 1 1    7   15   11 o  166.694   1.7187  218.208   4.4960  215.253   6.3133  221.249   6.4043  165.493   2.4309  167.782   2.4323 -2.289032 3.438819 
1 1 1    7   15   12 o  115.881   1.8911  105.487   3.4389  104.840   4.8142  106.161   4.9141  115.461   2.6570  116.182   2.6952 -0.7208862 3.784674 
1 1 1    7   15   13 o  139.156   1.7848  152.126   3.8975  155.345   5.4609  148.784   5.5644  140.543   2.4760  137.530   2.5782 3.013367 3.574576 
1 1 1    7   15   14 o  102.953   1.9991   83.315   3.2299   82.985   4.5016   83.665   4.6368  102.624   2.7978  103.033   2.8705 -0.4086838 4.008422 
1 1 1    7   15   15 o   74.884   2.2503   44.156   2.6414   47.893   3.7304   40.398   3.7407   77.879   3.0582   71.469   3.3445 6.409317 4.531965 
1 1 1    7   15   16 o   29.396   5.2978   7.0951   2.3541   10.263   3.2668   3.6732   3.3952   35.299   6.1191   22.370   7.8351 12.92885 9.941455 
1 1 1    7   15   17 o   30.727   5.1128   7.7333   2.3788   10.405   3.2975   4.8343   3.4350   35.483   6.1444   24.495   7.8753 10.98768 9.988717 
1 1 1    7   15   18 o   79.093   2.3237   49.352   2.8810   45.312   3.9424   53.981   4.2206   75.566   3.3327   82.509   3.2660 -6.943039 4.666279 
1 1 1    7   15   19 o   48.803   3.4124   19.005   2.5970   18.782   3.4993   19.279   3.8748   48.162   4.6891   48.647   5.1539 -0.4849701 6.967814 
1 1 1    7   15   20 o   39.807   3.7131   12.759   2.2928   8.5033   3.0849   18.010   3.4269   31.577   6.4439   47.025   4.7070 -15.44799 7.979914 
1 1 1    7   15   21 o   42.907   3.3182   14.775   2.2169   15.056   3.1187   14.488   3.1520   42.839   4.7169   41.951   4.8787 0.8880806 6.786117 
1 1 1    7   15   22 o   14.623   5.9002   0.9644   2.0873   2.3806   2.9019  -0.5538   3.0047   18.724   7.1302   14.755   6.5390 3.968378 9.674616 
1 1 1    7   15   23 o   51.962   2.8668   21.622   2.3287   25.096   3.2715   18.053   3.3154   55.595   3.7721   46.733   4.5794 8.862583 5.932941 
1 1 1    7   15   24 o   13.481   5.8863  -0.0723   2.3529  -0.7217   3.2949   0.6034   3.3611   14.999   6.7332   16.614   7.1448 -1.615580 9.817538 
1 1 1    7   15   25 o   24.245   5.7060   5.2684   2.1347   8.0343   3.0065   2.4564   3.0314   29.504   6.6526   18.373   7.2081 11.13129 9.808889 
1 1 1    7   15   26 o   21.210   5.9000   4.2111   2.0352   4.6238   2.9068   3.8144   2.8503   21.657   7.2599   20.068   7.1649 1.589573 10.20014 
1 1 1    7   15   27 o   20.541   6.0002   4.1155   2.0547   3.9243   2.9501   4.2956   2.8635   19.699   7.2523   20.410   7.1918 -0.7108879 10.21367 
1 1 1    7   15   28 o   15.529   6.1192   2.0324   2.1931   1.4379   3.1244   2.6098   3.0792   15.684   6.8166   17.184   7.0777 -1.499933 9.826522 
1 1 1    7   15   29 o   12.178   5.2919   0.5029   1.8825  -1.0375   2.6598   2.0489   2.6646   12.023   5.6299   15.659   6.5286 -3.636379 8.620775 
1 1 1    7   15   30 o   9.2832   4.4496  -1.5390   1.8594   1.8326   2.7331  -4.4443   2.5370   14.492   6.3357   9.0291   4.4976 5.463325 7.769797 
1 1 1    7   16    0 o  201.767   2.3497  319.650   7.4377  319.650   7.4377  319.650   7.4377  201.767   2.3497  201.767   2.3497 -0.000000 0.000000 
1 1 1    7   16    1 o  167.165   1.7065  219.328   4.4767  221.767   6.3579  216.930   6.3045  168.066   2.4106  166.223   2.4169 1.843246 3.413529 
1 1 1    7   16    2 o  295.862   1.7183  687.058   7.9780  678.645   11.216  695.673   11.350  293.999   2.4310  297.665   2.4298 -3.665558 3.437120 
1 1 1    7   16    3 o  108.159   1.9596   91.832   3.3261   93.780   4.7096   89.894   4.6981  109.242   2.7493  106.951   2.8016 2.291855 3.925296 
1 1 1    7   16    4 o   95.054   2.1731   70.937   3.2416   70.454   4.4216   71.499   4.7664   94.658   2.9802   95.343   3.1901 -0.6851883 4.365608 
1 1 1    7   16    5 o   97.667   2.1729   74.897   3.3304   71.302   4.6249   78.769   4.7998   95.210   3.0995  100.080   3.0597 -4.869568 4.355275 
1 1 1    7   16    6 o   17.245   6.6083   1.5841   2.5028   2.7325   3.4543   0.3151   3.6312   21.114   7.8343   17.987   7.5682 3.126652 10.89287 
1 1 1    7   16    7 o   17.280   6.7939   1.3586   2.6980   6.3371   4.0468  -2.6249   3.6199   28.099   8.4747   14.856   6.8197 13.24244 10.87788 
1 1 1    7   16    8 o   29.844   5.6003   7.2652   2.5266   0.2977   3.4997   14.850   3.6513   17.621   7.4230   43.003   5.5392 -25.38152 9.261964 
1 1 1    7   16    9 o  102.681   2.0468   82.821   3.2981   81.490   4.7169   84.094   4.6132  101.749   2.9572  103.374   2.8464 -1.625839 4.104535 
1 1 1    7   16   10 o  108.754   2.3284   92.956   3.9739   91.962   5.7452   93.868   5.5026  108.020   3.3934  109.159   3.2157 -1.139320 4.674985 
1 1 1    7   16   11 o   70.269   2.5534   38.881   2.8111   37.107   4.0313   40.560   3.9219   68.501   3.7646   71.663   3.4979 -3.161568 5.138777 
1 1 1    7   16   12 o   76.458   2.3882   46.017   2.8619   42.513   4.0669   49.455   4.0282   73.341   3.5440   79.159   3.2496 -5.817719 4.808290 
1 1 1    7   16   13 o  112.418   1.9499   99.336   3.4400  104.164   4.9352   94.774   4.7976  115.020   2.7342  109.671   2.7898 5.349022 3.906247 
1 1 1    7   16   14 o   44.737   3.6098   15.913   2.5127   15.510   3.5851   16.302   3.5229   43.825   5.3217   45.000   5.0771 -1.175194 7.355092 
1 1 1    7   16   15 o   68.374   2.5562   36.879   2.7379   38.324   3.9029   35.478   3.8419   69.524   3.5893   66.870   3.6752 2.654915 5.137173 
1 1 1    7   16   16 o   76.248   2.3934   45.845   2.8603   44.967   4.1014   46.677   3.9909   75.306   3.4800   76.762   3.3208 -1.456360 4.810227 
1 1 1    7   16   17 o   33.069   4.6956   8.9023   2.3683   11.257   3.3970   6.6756   3.3036   36.868   6.0833   28.026   7.4024 8.841824 9.581355 
1 1 1    7   16   18 o   50.316   3.1870   20.150   2.5035   19.232   3.5626   21.047   3.5189   48.740   4.7166   51.096   4.4323 -2.355667 6.472377 
1 1 1    7   16   19 o   43.929   3.4259   15.455   2.3431   15.527   3.2254   15.374   3.4096   43.618   4.7908   43.284   5.1185 0.3340111 7.010701 
1 1 1    7   16   20 o   26.513   6.4619   6.0793   2.6637   5.7426   3.7606   6.4184   3.7735   25.728   8.2370   26.981   8.1932 -1.253134 11.61794 
1 1 1    7   16   21 o   13.177   5.6912  -0.0216   2.1507  -2.9483   2.9547   3.2761   3.1365   12.328   5.8225   20.635   7.4968 -8.307037 9.492313 
1 1 1    7   16   22 o   26.794   6.1454   6.2842   2.5289   7.4065   3.7087   5.3088   3.4573   28.393   7.9889   24.409   7.9055 3.983511 11.23924 
1 1 1    7   16   23 o   49.642   3.5578   20.024   2.7533   18.077   3.8398   22.083   3.9500   46.140   5.4054   51.337   4.9648 -5.197536 7.339483 
1 1 1    7   16   24 o   16.589   6.6367   1.6731   2.6173   2.7443   3.9190   0.8107   3.5165   19.966   8.0743   16.961   7.3013 3.004581 10.88592 
1 1 1    7   16   25 o   13.158   5.7819   0.0337   2.3023   1.8916   3.2737  -1.7845   3.2385   17.473   7.2566   13.427   6.2627 4.045775 9.585406 
1 1 1    7   16   26 o   11.739   5.3428  -0.6226   2.1606   0.6664   2.9703  -2.0709   3.1485   15.003   6.5806   12.701   6.0023 2.301559 8.906878 
1 1 1    7   16   27 o   14.700   5.9130   1.6115   2.0895   1.9949   2.9388   1.2195   2.9716   16.304   6.8310   15.321   6.6533 0.9830723 9.535653 
1 1 1    7   16   28 o   8.2664   4.0940  -3.7980   1.9866  -3.1081   2.8180  -4.4795   2.8009   10.865   5.2738   10.009   4.9396 0.8558683 7.225810 
1 1 1    7   16   29 o   18.075   5.9590   3.5446   1.9602   4.4743   2.8020   2.6535   2.7432   19.107   7.0621   16.076   6.6565 3.030731 9.704789 
1 1 1    7   16   30 o   12.067   5.4004   0.7108   2.1017  -1.6624   2.9897   3.0294   2.9551   11.274   5.4628   15.590   6.7018 -4.315878 8.646193 
1 1 1    7   17    0 o  100.683   4.2212   80.074   6.6429   80.074   6.6429   80.074   6.6429  100.683   4.2212  100.683   4.2212 -0.000000 0.000000 
1 1 1    7   17    1 o  118.810   2.7175  110.896   5.0667  111.230   7.0993  110.549   7.2335  118.858   3.8110  118.485   3.8956 0.3734665 5.449702 
1 1 1    7   17    2 o  110.399   2.3109   95.721   4.0037   88.594   5.5493  103.459   5.7819  106.104   3.3369  114.680   3.2159 -8.575630 4.634318 
1 1 1    7   17    3 o   87.337   2.5824   59.978   3.5355   62.896   4.9183   56.857   5.0858   89.361   3.5140   84.924   3.8259 4.436600 5.194811 
1 1 1    7   17    4 o   21.288   6.9279   3.4667   2.6533   3.2443   3.6527   3.7151   3.8605   22.260   8.0897   23.342   8.3380 -1.082119 11.61751 
1 1 1    7   17    5 o   89.631   2.3386   63.157   3.2867   61.459   4.5347   65.036   4.7704   88.335   3.2769   90.865   3.3511 -2.529724 4.687030 
1 1 1    7   17    6 o   52.155   3.4174   21.497   2.7817   21.630   3.8023   21.343   4.0801   52.154   4.6960   51.743   5.0906 0.4105606 6.925788 
1 1 1    7   17    7 f  153.983   1.9643  186.242   4.7466  186.298   6.6806  186.184   6.7452  153.927   2.7656  153.877   2.7933 0.5014038E-01 3.930815 
1 1 1    7   17    8 o   22.878   6.7559   4.2277   2.5928   3.5342   3.6278   4.9518   3.7072   22.642   8.0833   25.238   8.1872 -2.596329 11.50523 
1 1 1    7   17    9 o   87.566   2.3112   60.314   3.1733   62.895   4.3957   57.505   4.5856   89.329   3.1406   85.373   3.4297 3.955673 4.650383 
1 1 1    7   17   10 o   25.660   7.2662   5.4089   3.0579   0.7321   4.0752   11.436   4.6261   19.362   8.0732   37.021   8.1808 -17.65930 11.49355 
1 1 1    7   17   11 o  137.590   1.9286  148.779   4.1642  144.261   5.6171  154.292   6.2047  135.390   2.6437  139.989   2.8244 -4.598541 3.868637 
1 1 1    7   17   12 o  100.540   2.1390   79.492   3.3748   75.146   4.6190   84.470   4.9429   97.599   3.0194  103.477   3.0472 -5.878250 4.289776 
1 1 1    7   17   13 o   42.877   3.9825   14.675   2.6491   12.726   3.6547   16.832   3.8453   39.433   6.1028   45.625   5.4802 -6.191711 8.202298 
1 1 1    7   17   14 o   41.030   4.0897   13.476   2.5983   15.207   3.6048   11.604   3.7485   43.308   5.4226   37.431   6.6238 5.876629 8.560340 
1 1 1    7   17   15 o   51.046   3.4297   20.709   2.7315   21.594   3.7628   19.723   3.9715   51.854   4.6741   49.401   5.2007 2.452816 6.992479 
1 1 1    7   17   16 o   19.695   6.9033   2.8621   2.6359   3.8276   3.6807   1.8455   3.7766   22.808   8.1421   19.909   7.9697 2.898769 11.39345 
1 1 1    7   17   17 o   58.007   3.2857   26.781   2.9788   28.561   4.1875   24.957   4.2382   59.545   4.5149   55.505   4.9165 4.040161 6.675039 
1 1 1    7   17   18 o   52.878   3.5201   22.376   2.9044   20.609   4.0519   24.242   4.1653   50.152   5.2248   54.557   4.9177 -4.405880 7.175161 
1 1 1    7   17   19 o   23.406   6.7704   4.7146   2.6276   6.9847   3.6756   2.3416   3.7578   28.080   7.9713   20.163   7.9897 7.916780 11.28613 
1 1 1    7   17   20 o   18.405   6.7853   2.4464   2.5838  -0.8164   3.7770   5.3164   3.5423   16.287   7.2675   24.681   8.0028 -8.393919 10.81029 
1 1 1    7   17   21 o   26.520   6.2160   6.1614   2.5417   5.5874   3.5837   6.7423   3.6053   24.988   8.0449   27.188   7.9499 -2.199970 11.31023 
1 1 1    7   17   22 o   45.980   3.7038   17.225   2.6499   16.419   3.6977   18.077   3.7995   43.947   5.4804   46.226   5.3355 -2.279030 7.648687 
1 1 1    7   17   23 o   16.003   6.3083   1.5950   2.3315   4.6124   3.1749  -1.9368   3.4349   22.514   7.5877   14.088   6.5294 8.426436 10.01031 
1 1 1    7   17   24 o   11.592   5.4750  -2.2431   2.6127  -3.5797   3.4981  -0.5568   3.9292   12.752   6.1101   15.967   7.2428 -3.214550 9.475800 
1 1 1    7   17   25 o   20.234   6.3701   3.9492   2.2571   5.8983   3.2159   2.0566   3.1688   23.749   7.6185   17.205   7.1419 6.544163 10.44258 
1 1 1    7   17   26 o   12.749   5.6894   0.0248   2.3152   1.9466   3.2541  -1.9452   3.2946   16.661   7.0942   12.893   6.1069 3.768498 9.360633 
1 1 1    7   17   27 o   12.673   5.6567   0.1440   2.2903  -0.7928   3.2635   1.0530   3.2148   13.531   6.3032   15.241   6.7584 -1.709105 9.241528 
1 1 1    7   17   28 o   12.847   5.5667   0.7637   2.0706  -0.6504   2.9116   2.2108   2.9453   12.735   5.9394   15.930   6.7647 -3.194806 9.002120 
1 1 1    7   17   29 o   16.465   6.0328   3.1369   2.0374   2.7658   2.8890   3.5040   2.8736   15.581   6.6608   16.621   6.8406 -1.039532 9.547784 
1 1 1    7   18    0 o   27.484   9.5457   7.7917   3.7164   7.7917   3.7164   7.7917   3.7164   27.484   9.5457   27.484   9.5457 0.000000 0.000000 
1 1 1    7   18    1 o   75.580   2.4975   44.941   2.9581   43.954   4.1692   45.943   4.1978   74.639   3.5698   76.320   3.5144 -1.680031 5.009397 
1 1 1    7   18    2 o  119.315   1.9184  111.810   3.5920  112.850   5.0923  110.779   5.0675  119.812   2.7084  118.707   2.7203 1.105408 3.838614 
1 1 1    7   18    3 o   93.612   2.1693   68.847   3.1869   67.675   4.5233   70.002   4.4907   92.698   3.1138   94.288   3.0389 -1.590141 4.350968 
1 1 1    7   18    4 o  103.291   2.0467   83.814   3.3176   86.015   4.7041   81.636   4.6796  104.541   2.8701  101.836   2.9312 2.704643 4.102359 
1 1 1    7   18    5 o   65.073   2.7699   33.362   2.8221   33.746   3.9626   32.967   4.0202   65.320   3.8832   64.545   3.9885 0.7753754 5.566603 
1 1 1    7   18    6 o   51.681   3.2970   21.114   2.6600   22.681   3.7595   19.544   3.7641   53.402   4.5287   49.480   4.9124 3.921623 6.681410 
1 1 1    7   18    7 o   96.564   2.4876   73.371   3.7665   66.247   4.9814   82.879   5.7553   91.630   3.4705  102.486   3.5840 -10.85592 4.988925 
1 1 1    7   18    8 o  145.338   1.9639  165.986   4.4793  157.271   6.4527  174.091   6.2230  141.347   2.9090  148.752   2.6658 -7.405060 3.945757 
1 1 1    7   18    9 o   80.779   2.5858   51.398   3.2738   52.094   4.6834   50.732   4.5780   81.166   3.6865   80.102   3.6515 1.064003 5.188858 
1 1 1    7   18   10 o   80.502   2.9780   51.131   3.7556   47.983   5.1777   54.627   5.4557   77.753   4.2597   82.989   4.2028 -5.235992 5.984025 
1 1 1    7   18   11 o   54.663   3.6648   23.717   3.1256   23.404   4.6289   23.979   4.2376   53.904   5.5513   54.703   4.9913 -0.7989502 7.465258 
1 1 1    7   18   12 o   96.029   2.4701   72.666   3.7193   69.985   5.4411   75.018   5.0956   93.990   3.6961   97.400   3.3387 -3.410324 4.980756 
1 1 1    7   18   13 o   33.595   5.1930   9.2128   2.6496   16.364   3.8384   2.7039   3.6621   44.887   5.5685   21.093   8.0152 23.79354 9.759680 
1 1 1    7   18   14 f   66.459   2.6363   34.891   2.7441   30.947   3.8402   39.006   3.9226   62.318   3.9471   70.081   3.5785 -7.763432 5.327755 
1 1 1    7   18   15 o   23.990   6.2489   4.8431   2.3756   2.5896   3.3378   7.1564   3.3818   20.248   7.6617   28.959   7.4114 -8.710985 10.65979 
1 1 1    7   18   16 o   51.484   3.2492   21.113   2.6118   22.175   3.6014   19.934   3.7934   52.444   4.4169   49.534   4.9459 2.909824 6.631057 
1 1 1    7   18   17 o   49.356   3.2549   19.454   2.5070   18.528   3.4863   20.446   3.6076   47.704   4.7187   50.165   4.6350 -2.460464 6.614343 
1 1 1    7   18   18 f   23.216   6.4226   4.6369   2.4189   6.1103   3.2696   2.8554   3.5953   26.394   7.5268   20.677   7.9211 5.716974 10.92681 
1 1 1    7   18   19 o   40.878   4.0210   13.603   2.5461   9.0019   3.4935   18.816   3.7185   31.924   7.1511   47.681   5.0460 -15.75660 8.752196 
1 1 1    7   18   20 o   20.732   6.6928   3.6613   2.4792   1.5032   3.4460   5.9767   3.5694   18.188   7.4889   25.735   7.9971 -7.546202 10.95619 
1 1 1    7   18   21 o   47.694   3.9608   18.613   2.9378   20.769   4.5365   17.056   3.8553   49.152   6.0060   44.738   5.6147 4.413960 8.221744 
1 1 1    7   18   22 o   36.216   4.6303   11.048   2.5714   6.5592   3.6283   15.578   3.6449   26.222   8.0481   42.464   5.6064 -16.24253 9.808364 
1 1 1    7   18   23 o   27.101   6.0217   6.6780   2.4945   5.8500   3.5686   7.4690   3.4883   24.399   8.0400   27.574   7.7442 -3.174519 11.16311 
1 1 1    7   18   24 o   18.129   6.9671   2.8234   2.7874   0.4453   3.8555   5.4273   4.0344   16.380   7.3236   22.711   8.4590 -6.331196 11.18882 
1 1 1    7   18   25 o   17.208   6.4978   2.7053   2.3978   1.0779   3.3421   4.4314   3.4420   15.832   6.9611   20.445   7.7702 -4.612979 10.43233 
1 1 1    7   18   26 o   12.670   5.6764   0.0573   2.3288  -2.6647   3.2766   2.8360   3.3106   12.182   5.8567   17.559   7.2952 -5.376859 9.355268 
1 1 1    7   18   27 o   10.448   4.9877  -1.8616   2.2856  -2.2475   3.3036  -1.5073   3.1654   12.312   5.9093   12.594   5.9714 -0.2818260 8.401040 
1 1 1    7   18   28 o   10.585   5.0654  -1.5532   2.3886  -2.0745   3.3369  -1.0055   3.4205   11.919   5.7745   12.731   6.0842 -0.8119192 8.388232 
1 1 1    7   18   29 o   11.556   5.4598  -0.3493   2.6026  -3.4519   3.6508   2.8567   3.7111   11.129   5.5186   15.163   6.9397 -4.033509 8.866490 
1 1 1    7   19    0 o   63.689   4.1914   32.329   4.1469   32.329   4.1469   32.329   4.1469   63.689   4.1914   63.689   4.1914 -0.000000 0.000000 
1 1 1    7   19    1 o  111.559   2.0758   97.791   3.6341   97.560   5.0261   98.045   5.2605  111.317   2.8796  111.576   3.0071 -0.2593079 4.163487 
1 1 1    7   19    2 o   76.023   2.5689   45.501   3.0604   41.381   4.3024   49.721   4.3540   72.347   3.8029   79.363   3.5046 -7.015892 5.171443 
1 1 1    7   19    3 o   68.167   2.9711   36.640   3.1706   34.743   4.5602   38.416   4.4115   66.175   4.4165   69.658   4.0531 -3.483238 5.994386 
1 1 1    7   19    4 o   76.066   2.8965   45.603   3.4512   42.264   4.8162   49.127   4.9479   73.038   4.2199   78.797   4.0145 -5.759377 5.824445 
1 1 1    7   19    5 o   97.420   2.6884   74.731   4.1061   72.072   5.2378   78.972   6.6137   95.553   3.4989   99.894   4.2284 -4.340813 5.488372 
1 1 1    7   19    6 o   61.369   3.3681   29.777   3.2313   26.518   4.4831   33.301   4.6615   57.628   5.0069   64.703   4.6213 -7.074364 6.813629 
1 1 1    7   19    7 o   90.474   2.4172   64.441   3.4289   68.769   4.7889   59.888   4.9117   93.339   3.2745   87.040   3.6037 6.298996 4.869184 
1 1 1    7   19    8 o   32.642   5.5525   8.7106   2.7425   8.2623   3.8281   9.1832   3.9310   31.386   7.8049   33.100   7.7114 -1.714231 10.97189 
1 1 1    7   19    9 o   39.865   4.3820   12.744   2.6962   8.6207   3.7571   17.122   3.8716   32.040   7.5897   46.041   5.4649 -14.00113 9.352444 
1 1 1    7   19   10 o   19.102   7.0798   2.3413   2.8195   2.0530   3.5887   2.8061   4.5574   20.028   7.8471   22.724   8.8605 -2.696024 11.83578 
1 1 1    7   19   11 o  100.943   2.2090   80.203   3.4992   85.613   4.9558   74.824   4.9416  104.104   3.0367   97.271   3.2418 6.832497 4.441933 
1 1 1    7   19   12 o   16.953   6.6340   1.4609   2.5623   3.7653   3.5073  -1.1767   3.7523   22.592   7.9595   16.342   7.2710 6.250248 10.78058 
1 1 1    7   19   13 o   62.886   2.8532   31.298   2.8084   34.264   3.9642   28.309   3.9791   65.575   3.8694   59.475   4.2921 6.099751 5.778802 
1 1 1    7   19   14 o   27.550   5.9720   6.3784   2.5073   4.8041   3.5045   8.0294   3.5888   24.302   7.9655   30.595   7.5272 -6.293041 10.95934 
1 1 1    7   19   15 o   42.530   3.9294   14.554   2.5930   10.917   3.5840   18.549   3.7560   35.943   6.5972   47.684   5.0983 -11.74161 8.337622 
1 1 1    7   19   16 o   15.166   6.3764   0.4688   2.5744   2.3171   3.6113  -1.4410   3.6709   20.002   7.8613   15.627   7.0531 4.375081 10.56157 
1 1 1    7   19   17 o   47.361   3.7161   18.080   2.7399   17.943   3.7998   18.229   3.9544   46.558   5.2946   46.846   5.4826 -0.2875443 7.621746 
1 1 1    7   19   18 o   21.754   6.7569   4.0574   2.5485   2.7235   3.5529   5.4711   3.6576   20.238   7.8422   24.974   8.1345 -4.736168 11.29915 
1 1 1    7   19   19 f   19.331   6.8465   2.9643   2.5977   0.1881   3.6066   5.9573   3.7448   16.860   7.3257   25.687   8.2193 -8.827326 11.01010 
1 1 1    7   19   20 o   26.396   6.2006   6.1638   2.5246   5.9299   3.7061   6.3663   3.4484   25.391   8.1817   26.268   7.7999 -0.8771000 11.30397 
1 1 1    7   19   21 o   17.792   6.9652   2.1464   2.8254  -0.0566   3.9656   4.4176   4.0265   16.932   7.5075   22.600   8.4442 -5.668135 11.29900 
1 1 1    7   19   22 o   18.460   6.5872   2.8917   2.4088   6.6286   3.4228  -0.7755   3.3907   26.035   7.7806   14.871   6.7386 11.16480 10.29298 
1 1 1    7   19   23 o   23.876   6.3199   5.4525   2.4047   5.1769   3.4160   5.7233   3.3856   22.523   7.8613   23.540   7.8340 -1.016657 11.09821 
1 1 1    7   19   24 o   13.542   6.0421   0.0902   2.6099   1.1135   3.6979  -0.9256   3.6842   16.397   7.2610   14.509   6.7376 1.887921 9.905376 
1 1 1    7   19   25 o   11.337   5.2756  -1.0425   2.2767  -0.0833   3.2019  -2.0231   3.2377   14.139   6.4615   12.581   5.9865 1.557426 8.808480 
1 1 1    7   19   26 f   18.059   6.3993   3.3996   2.2697   0.8736   3.1827   6.0139   3.2378   14.824   6.6391   22.372   7.6608 -7.547610 10.13733 
1 1 1    7   19   27 o   10.406   4.9386  -1.3442   2.1750  -2.8407   3.0848   0.1350   3.0670   11.203   5.4560   13.388   6.1929 -2.185019 8.253464 
1 1 1    7   19   28 o   12.955   5.7193   1.2539   2.2775   2.2037   3.3358   0.4246   3.1170   14.660   6.6593   12.926   6.0661 1.734432 9.007963 
1 1 1    7   20    0 o   51.187   5.0857   21.269   3.9858   21.269   3.9858   21.269   3.9858   51.187   5.0857   51.187   5.0857 -0.000000 0.000000 
1 1 1    7   20    1 o   91.785   2.4066   66.312   3.4634   63.224   4.8667   69.481   4.9300   89.466   3.4729   93.816   3.3540 -4.349617 4.828080 
1 1 1    7   20    2 o   39.279   4.7169   12.393   2.8494   8.2476   3.9309   16.984   4.1364   31.393   7.9670   45.821   5.8884 -14.42782 9.906864 
1 1 1    7   20    3 o   16.974   6.7879   1.1801   2.7367  -2.8054   3.7874   5.5345   3.9588   15.045   6.9316   26.367   8.4523 -11.32146 10.93110 
1 1 1    7   20    4 o   35.670   5.3088   10.327   2.8813   11.406   3.9810   9.1391   4.1754   37.110   7.0945   32.987   8.1211 4.123119 10.78354 
1 1 1    7   20    5 o   89.264   2.7153   62.807   3.7992   60.882   5.3351   64.787   5.4115   87.674   3.8872   90.462   3.8205 -2.787529 5.450397 
1 1 1    7   20    6 o   13.757   6.1867  -1.2925   2.7956   3.8120   3.8661  -6.8867   4.0473   23.256   8.3398   12.938   6.2893 10.31797 10.44546 
1 1 1    7   20    7 o   83.966   2.5485   55.573   3.3543   51.236   4.7794   59.782   4.7087   80.394   3.7990   86.927   3.4587 -6.532982 5.137590 
1 1 1    7   20    8 o   27.257   6.4854   6.2094   2.7337   11.102   3.9201   1.5781   3.8140   36.485   7.1023   19.769   7.9759 16.71619 10.67973 
1 1 1    7   20    9 o   24.739   6.8230   5.1030   2.7346   7.8595   3.9226   2.4966   3.8143   30.463   8.0757   21.037   8.1328 9.425322 11.46118 
1 1 1    7   20   10 o   39.957   5.1042   12.953   3.1276   14.777   4.1370   10.521   4.7783   42.343   6.4274   35.020   8.7265 7.323784 10.83804 
1 1 1    7   20   11 o   21.960   6.9775   3.8878   2.7025   1.0222   3.8381   6.7056   3.8060   18.981   7.8678   28.156   8.1494 -9.174835 11.32764 
1 1 1    7   20   12 o   84.235   2.5300   56.044   3.3406   53.992   4.6843   58.168   4.7654   82.388   3.6320   85.544   3.5575 -3.156418 5.084008 
1 1 1    7   20   13 o   39.056   4.7552   12.417   2.8545   12.863   4.0170   11.962   4.0572   39.072   6.7980   37.518   7.1519 1.553951 9.867237 
1 1 1    7   20   14 o   34.660   5.1864   9.9235   2.7344   12.335   3.8452   7.4564   3.8892   38.168   6.6620   29.194   8.1693 8.973074 10.54131 
1 1 1    7   20   15 o   44.137   4.1246   15.778   2.8238   15.789   3.9484   15.768   4.0400   43.444   5.9473   43.343   6.1088 0.1011047 8.525767 
1 1 1    7   20   16 o   16.495   6.6103   1.3381   2.6010   1.3009   3.6425   1.3767   3.7152   18.483   7.6633   18.712   7.7471 -0.2293606 10.89694 
1 1 1    7   20   17 o   25.159   6.6443   5.5638   2.6618   4.0669   3.7369   7.1056   3.7924   22.532   8.1834   27.980   8.1456 -5.447651 11.54638 
1 1 1    7   20   18 o   37.691   4.8823   11.865   2.8200   11.430   3.8712   12.356   4.1163   35.824   7.1366   37.176   7.3163 -1.351604 10.22058 
1 1 1    7   20   19 o   12.598   5.7938  -1.5050   2.6297  -0.3522   3.7267  -2.6483   3.7113   16.367   7.2661   14.290   6.6779 2.076765 9.868699 
1 1 1    7   20   20 o   21.353   6.9628   4.0774   2.6794   3.8933   3.7678   4.2657   3.8111   21.604   8.1480   22.216   8.2316 -0.6118526 11.58228 
1 1 1    7   20   21 o   23.772   6.8474   5.3050   2.6930   3.0000   3.8188   7.5853   3.7982   19.969   8.0072   27.577   8.1853 -7.607353 11.45054 
1 1 1    7   20   22 o   17.108   6.8513   2.1651   2.7921   3.1796   3.9899   1.1914   3.9087   19.687   8.0769   17.297   7.5689 2.389740 11.06912 
1 1 1    7   20   23 o   15.774   6.7992   1.2761   3.0575  -1.2461   4.3823   3.6682   4.2678   15.363   7.2044   19.735   8.2477 -4.371746 10.95111 
1 1 1    7   20   24 o   13.196   6.2353  -1.6006   3.3954  -0.3891   4.9407  -2.6849   4.6741   16.147   7.5963   14.464   6.9643 1.683099 10.30561 
1 1 1    7   20   25 o   13.959   6.3080   0.3424   2.9467   1.5705   4.0889  -0.9845   4.2504   16.462   7.4356   14.663   6.9425 1.799368 10.17288 
1 1 1    7   20   26 o   9.8826   4.8033  -2.6483   2.3586  -1.3403   3.2822  -4.0450   3.3916   12.657   6.0241   11.196   5.5078 1.461538 8.162429 
1 1 1    7   20   27 o   12.571   5.6400   0.8349   2.3081   3.3521   3.1580  -2.0517   3.3818   16.109   6.9266   11.677   5.6924 4.432805 8.965571 
1 1 1    7   21    0 f   16.564   9.2865   2.9939   3.6346   2.9939   3.6346   2.9939   3.6346   16.564   9.2865   16.564   9.2865 0.000000 0.000000 
1 1 1    7   21    1 o   65.841   2.8648   34.234   2.9530   30.943   4.1820   37.506   4.1702   62.335   4.3015   68.744   3.8814 -6.408966 5.793791 
1 1 1    7   21    2 o   30.506   5.9433   7.6893   2.7429   0.7638   3.8703   14.678   3.8878   18.855   7.8652   42.428   6.0069 -23.57278 9.896646 
1 1 1    7   21    3 o   60.609   3.0496   29.051   2.8913   28.951   4.1156   29.148   4.0629   60.256   4.3823   60.477   4.3091 -0.2209854 6.145989 
1 1 1    7   21    4 o   19.310   6.8420   2.6466   2.5945   5.1608   3.6285   0.0163   3.7114   25.324   8.0894   17.591   7.5353 7.732714 11.05527 
1 1 1    7   21    5 o   15.429   6.6063  -0.0176   2.8503   2.0816   4.4230  -1.5086   3.7275   21.527   8.6223   15.994   7.1723 5.532476 11.21547 
1 1 1    7   21    6 o   55.906   3.3685   24.794   2.9416   23.526   4.1440   26.082   4.1763   54.113   4.9341   57.057   4.7060 -2.943542 6.818490 
1 1 1    7   21    7 o   28.653   6.1449   6.8493   2.6802   6.5036   3.8126   7.1871   3.7684   27.855   8.1835   29.148   7.9981 -1.293058 11.44283 
1 1 1    7   21    8 o   50.483   3.6010   20.289   2.8341   21.161   3.9824   19.394   4.0341   51.223   5.0185   48.929   5.3404 2.294926 7.328382 
1 1 1    7   21    9 o   23.671   6.6916   4.6817   2.5957   6.9672   3.6358   2.3059   3.7069   28.624   7.8566   20.474   7.9888 8.150154 11.20481 
1 1 1    7   21   10 o   25.555   6.8076   5.5245   2.7789   6.7328   3.7307   4.0185   4.1650   28.096   8.0489   23.647   8.6317 4.449791 11.80212 
1 1 1    7   21   11 o   23.448   7.0838   4.5981   2.8258   0.9095   3.8339   8.9851   4.1812   18.692   7.8148   32.141   8.2488 -13.44961 11.36279 
1 1 1    7   21   12 f   40.575   4.6422   13.399   2.9028   11.410   3.9990   15.613   4.2202   36.492   7.2387   43.186   6.4223 -6.693752 9.677017 
1 1 1    7   21   13 o   51.505   3.7059   21.301   2.9753   21.232   4.1483   21.374   4.2699   50.837   5.2764   50.945   5.4240 -0.1085358 7.567072 
1 1 1    7   21   14 o   29.809   6.0809   7.5955   2.7481   7.0053   3.7999   8.2426   3.9791   28.073   8.1481   30.351   8.1732 -2.277895 11.54095 
1 1 1    7   21   15 o   13.647   6.1169  -0.8799   2.7080   0.3841   3.8025  -2.1806   3.8575   17.622   7.5890   15.238   7.0115 2.383345 10.33216 
1 1 1    7   21   16 o   9.3968   4.6749  -6.4120   2.7060  -6.9443   3.9580  -5.9448   3.7080   12.319   6.0380   12.252   5.9700 0.6783199E-01 8.491088 
1 1 1    7   21   17 o   18.241   6.9079   2.3532   2.7146  -1.0195   3.7861   5.9214   3.8942   15.921   7.1765   25.508   8.3985 -9.586815 11.04706 
1 1 1    7   21   18 o   20.381   6.9779   3.5361   2.6862   3.4398   3.8245   3.6298   3.7739   21.199   8.1573   21.438   8.1389 -0.2384701 11.52310 
1 1 1    7   21   19 o   14.428   6.2995   0.0647   2.6947   1.0357   3.5194  -1.3110   4.1891   17.284   7.3691   16.152   7.3850 1.132679 10.43276 
1 1 1    7   21   20 o   35.364   4.7941   10.728   2.5921   16.954   3.6792   4.5903   3.6526   44.075   5.4343   22.216   8.0873 21.85896 9.743482 
1 1 1    7   21   21 f   12.622   5.7222  -0.6158   2.4483  -0.7669   3.4551  -0.4633   3.4699   14.630   6.6959   14.939   6.7881 -0.3088408 9.534833 
1 1 1    7   21   22 o   12.496   5.6890  -0.5345   2.4518  -2.6761   3.4846   1.5654   3.4505   12.863   6.1454   16.619   7.1934 -3.755943 9.460966 
1 1 1    7   21   23 o   14.376   6.1451   1.1304   2.4587   3.1078   3.5052  -0.7847   3.4497   18.092   7.5108   13.926   6.4849 4.165249 9.922953 
1 1 1    7   21   24 o   10.944   5.2636  -2.3996   2.6530   0.4926   3.8846  -4.9277   3.6319   15.319   7.0440   11.448   5.6450 3.870541 9.026821 
1 1 1    7   21   25 f   10.183   4.9111  -2.2419   2.3473   0.4910   3.2975  -5.0494   3.3422   14.245   6.5278   10.655   5.2828 3.590172 8.397659 
1 1 1    7   21   26 o   10.918   5.1772  -0.9328   2.3810  -2.0295   3.3000   0.2583   3.4389   11.650   5.6668   13.354   6.2992 -1.703400 8.473103 
1 1 1    7   22    0 o   22.889   10.225   6.1039   3.9023   6.1039   3.9023   6.1039   3.9023   22.889   10.225   22.889   10.225 0.000000 0.000000 
1 1 1    7   22    1 o   68.874   2.8663   37.496   3.0912   38.461   4.3657   36.525   4.3776   69.513   4.0192   67.705   4.1399 1.807983 5.769945 
1 1 1    7   22    2 o   34.307   5.3816   9.6340   2.8021   10.825   3.9327   8.4057   3.9935   35.903   7.2303   31.434   8.0584 4.468807 10.82659 
1 1 1    7   22    3 o   36.759   4.8867   10.962   2.7492   10.986   3.8641   10.938   3.9123   36.212   7.0534   36.100   7.1587 0.1118507 10.04975 
1 1 1    7   22    4 o   36.173   4.9791   10.639   2.7515   12.229   3.9783   9.1821   3.8096   38.288   6.8737   32.908   7.5391 5.379959 10.20222 
1 1 1    7   22    5 o   25.914   6.7073   5.6527   2.7486   0.6626   3.8976   10.589   3.8765   18.667   7.8468   35.447   7.2145 -16.77997 10.65933 
1 1 1    7   22    6 o   26.724   6.4540   6.0150   2.6759   2.9800   3.7740   9.0833   3.7947   21.592   8.1522   32.666   7.5533 -11.07310 11.11356 
1 1 1    7   22    7 o   42.808   4.2429   14.742   2.8129   15.312   3.9595   14.160   3.9968   43.122   6.0144   41.324   6.3674 1.798290 8.758796 
1 1 1    7   22    8 o   25.917   6.6114   5.6957   2.6972   2.4382   3.7892   9.0412   3.8401   20.702   8.0773   32.437   7.6660 -11.73454 11.13599 
1 1 1    7   22    9 o   29.608   6.4055   7.4288   2.8896   10.687   3.9709   3.7619   4.2128   35.310   7.4032   23.176   8.6417 12.13394 11.37918 
1 1 1    7   22   10 o   52.134   3.8079   21.800   3.0939   25.942   4.2693   17.220   4.4898   56.526   4.8600   45.344   6.4948 11.18212 8.111840 
1 1 1    7   22   11 o   34.357   5.5755   9.8578   2.9031   9.8993   4.0001   9.8116   4.2199   33.610   7.7435   33.312   8.1421 0.2975655 11.23639 
1 1 1    7   22   12 f   51.806   3.7051   21.594   2.9923   19.780   4.1453   23.567   4.3238   48.848   5.5033   53.502   5.2159 -4.654781 7.582315 
1 1 1    7   22   13 o   16.013   6.5048   1.1125   2.5567   0.6740   3.5542   1.5827   3.6805   17.500   7.4313   18.893   7.7551 -1.392641 10.74083 
1 1 1    7   22   14 o   33.115   5.5218   9.2934   2.7686   5.3304   3.8452   13.559   3.9895   24.731   8.3502   39.551   6.6644 -14.82048 10.68364 
1 1 1    7   22   15 o   15.182   6.4320   0.5122   2.6521   1.8231   3.7610  -0.7843   3.7402   19.108   7.8409   16.101   7.2050 3.006672 10.64856 
1 1 1    7   22   16 o   16.234   6.6501   1.2057   2.6994   1.2384   3.8157   1.1729   3.8194   18.323   7.7366   18.251   7.7248 0.7224464E-01 10.93287 
1 1 1    7   22   17 o   25.793   6.6200   6.0186   2.6929   9.4490   3.8081   2.5876   3.8085   31.792   7.7125   19.881   7.9879 11.91171 11.10359 
1 1 1    7   22   18 o   25.363   6.7864   5.9504   2.7541   4.1614   3.8863   7.7553   3.9036   21.944   8.2753   28.113   8.2862 -6.168856 11.71079 
1 1 1    7   22   19 o   18.144   7.2151   2.3844   3.0748   1.9746   4.5866   2.7189   4.1438   19.424   8.3497   19.783   8.1853 -0.3583603 11.69262 
1 1 1    7   22   20 o   15.754   6.6429   1.2998   2.8070  -2.6932   4.0900   4.8555   3.8595   14.253   6.7666   21.843   8.2447 -7.589714 10.66589 
1 1 1    7   22   21 o   21.859   7.0344   4.9813   2.7402   4.8742   3.8729   5.0887   3.8775   21.147   8.1897   21.463   8.2251 -0.3151588 11.60700 
1 1 1    7   22   22 o   16.417   6.6379   2.3413   2.6480   4.8814   3.7268  -0.2486   3.7632   20.525   8.0098   14.803   6.8517 5.721763 10.54048 
1 1 1    7   22   23 o   14.149   6.1938   0.9570   2.6195  -2.4248   3.6967   4.3679   3.7126   12.912   6.2110   19.347   7.8461 -6.434762 10.00689 
1 1 1    7   22   24 o   13.096   5.9666   0.1623   2.7031  -3.1912   3.9714   3.0569   3.6897   12.635   6.1616   17.193   7.4402 -4.557434 9.660300 
1 1 1    7   22   25 o   18.015   6.7183   4.1613   2.5464   1.0826   3.5582   7.3933   3.6457   14.174   6.5954   21.625   8.0438 -7.450459 10.40202 
1 1 1    7   22   26 o   11.995   5.5543   0.4680   2.4769   1.5683   3.4843  -0.6561   3.5218   13.751   6.4405   12.249   5.9339 1.501616 8.757334 
1 1 1    7   23    0 o   12.474   8.3013  -1.0938   4.3702  -1.0938   4.3702  -1.0938   4.3702   12.474   8.3013   12.474   8.3013 0.000000 0.000000 
1 1 1    7   23    1 o   17.682   7.2004   1.1706   3.1417   0.1948   4.3983   2.1872   4.4892   19.087   8.1902   21.563   8.6694 -2.475328 11.92635 
1 1 1    7   23    2 o   53.118   4.1287   22.607   3.4146   28.656   4.7844   16.327   4.8747   59.512   5.1743   44.070   7.3042 15.44221 8.951303 
1 1 1    7   23    3 o   16.584   6.9955   0.4395   3.1150   2.9308   4.3404  -2.2064   4.4730   22.275   8.6578   16.959   7.7066 5.315310 11.59091 
1 1 1    7   23    4 o   48.794   4.4584   19.188   3.3762   20.226   4.7823   18.156   4.7672   49.481   6.3014   46.694   6.6971 2.787434 9.195616 
1 1 1    7   23    5 o   29.141   7.2023   7.2772   3.2745   10.043   4.5806   4.3868   4.6829   33.889   8.6002   24.662   9.1271 9.226328 12.54063 
1 1 1    7   23    6 o   19.414   7.2554   2.5054   2.9730  -1.9913   4.2027   7.0094   4.2061   16.459   7.4757   28.500   8.6492 -12.04095 11.43221 
1 1 1    7   23    7 o   20.351   7.1859   3.1214   2.8599   5.1204   4.0719   1.1753   4.0177   25.094   8.5911   19.282   8.0260 5.811556 11.75686 
1 1 1    7   23    8 o   21.696   7.1561   3.8348   2.8268   2.2091   3.9278   5.5817   4.0715   20.397   8.1402   25.786   8.5912 -5.389183 11.83517 
1 1 1    7   23    9 o   71.060   2.9754   40.180   3.3107   38.279   4.3496   42.799   5.1045   68.953   4.0373   72.706   4.4958 -3.752419 6.042507 
1 1 1    7   23   10 o   36.101   4.9956   10.793   2.7544   13.551   3.8807   7.9928   3.9102   39.909   6.4135   29.901   8.1237 10.00742 10.35023 
1 1 1    7   23   11 o   19.724   6.9332   3.0479   2.6601   2.8028   3.7446   3.2977   3.7796   20.688   8.0415   21.477   8.1470 -0.7887230 11.44723 
1 1 1    7   23   12 f   19.697   6.9228   3.0763   2.6520   0.5991   3.6888   5.7267   3.8155   17.583   7.5218   25.432   8.3099 -7.848969 11.20856 
1 1 1    7   23   13 o   28.663   6.0050   7.1347   2.6145   6.8767   3.6237   7.4148   3.7759   27.438   7.9548   28.412   8.0840 -0.9733696 11.34156 
1 1 1    7   23   14 o   50.160   3.6660   20.434   2.8658   18.649   4.1842   22.012   3.9332   46.726   5.8328   51.383   4.9385 -4.656387 7.642684 
1 1 1    7   23   15 o   14.773   6.3113   0.4123   2.5909   0.3420   3.6919   0.4805   3.6369   16.990   7.3966   17.041   7.3807 -0.5150414E-01 10.44912 
1 1 1    7   23   16 o   12.966   5.8639  -0.8794   2.5527   7.6092   3.6569  -8.9471   3.5650   28.233   7.9291   10.368   5.1899 17.86492 9.476586 
1 1 1    7   23   17 o   26.935   6.3522   6.6358   2.6411   1.5903   3.7172   11.780   3.7534   18.111   7.6408   35.691   6.9513 -17.58058 10.32970 
1 1 1    7   23   18 o   19.467   6.9841   3.3962   2.7117   1.4130   4.0207   5.0509   3.6726   17.972   7.7722   22.685   8.1292 -4.712416 11.24679 
1 1 1    7   23   19 o   21.895   7.1328   4.8376   2.8122  -1.7562   4.0205   11.153   3.9349   14.689   6.8920   32.759   7.7720 -18.07016 10.38771 
1 1 1    7   23   20 o   11.985   5.6451  -1.6778   2.7435   0.5891   3.9404  -3.8106   3.8222   16.070   7.2750   12.708   6.1622 3.361790 9.534084 
1 1 1    7   23   21 o   18.583   6.9573   3.6183   2.7362   1.3468   3.8358   5.9717   3.9043   16.230   7.2771   21.929   8.2890 -5.698431 11.03017 
1 1 1    7   23   22 o   9.6364   4.7315  -3.6185   2.4645  -8.2354   3.4578   1.1489   3.5137   9.7265   4.9013   15.417   6.9344 -5.690672 8.491673 
1 1 1    7   23   23 o   10.124   4.9149  -2.6402   2.4499  -0.9767   3.4835  -4.2683   3.4462   13.258   6.2798   11.205   5.5201 2.052992 8.361032 
1 1 1    7   23   24 o   11.170   5.3120  -1.0324   2.5423   1.1447   3.6938  -2.9920   3.5045   14.322   6.6827   11.464   5.6315 2.857574 8.739093 
1 1 1    7   23   25 o   12.258   5.5944   0.8263   2.3893   1.6113   3.3793   0.0416   3.3788   13.711   6.3958   12.539   6.0070 1.171768 8.774397 
1 1 1    7   24    0 o   16.837   9.5723   3.1688   3.9330   3.1688   3.9330   3.1688   3.9330   16.837   9.5723   16.837   9.5723 -0.000000 0.000000 
1 1 1    7   24    1 o   17.915   6.8830   1.9311   2.7200   6.3988   3.8519  -2.5124   3.8414   27.232   8.2796   15.136   6.9762 12.09522 10.82684 
1 1 1    7   24    2 o   23.632   7.0204   4.7347   2.7931   6.5138   4.0031   3.0469   3.8990   27.456   8.4584   21.591   8.2545 5.865612 11.81865 
1 1 1    7   24    3 o   47.006   4.1412   17.834   3.0236   9.6142   4.1384   27.246   4.4284   33.088   8.0483   57.871   4.9228 -24.78381 9.434479 
1 1 1    7   24    4 o   33.634   5.9555   9.5202   3.0285   7.7589   4.3325   11.203   4.2349   29.622   8.7292   35.828   7.7573 -6.205561 11.67793 
1 1 1    7   24    5 f   25.878   7.0152   5.7980   2.9198   3.8106   4.2235   7.6172   4.0408   23.006   8.6375   29.326   8.3689 -6.319473 12.02685 
1 1 1    7   24    6 o   44.939   4.8162   16.542   3.3436   16.952   5.3154   16.275   4.3011   43.981   7.9957   43.869   6.4391 0.1115990 10.26618 
1 1 1    7   24    7 o   26.754   6.8464   6.2413   2.8861   5.1752   4.1612   7.2296   4.0063   24.913   8.6776   28.449   8.3969 -3.536352 12.07514 
1 1 1    7   24    8 o   14.349   6.3706  -0.6514   2.8650  -2.4085   4.0677   1.0783   4.0359   15.556   7.1728   18.903   7.9677 -3.347282 10.72073 
1 1 1    7   24    9 o   22.244   7.2771   4.2031   2.9256   5.7524   4.2856   2.8509   4.0036   25.704   8.8132   21.044   8.2753 4.659773 12.08940 
1 1 1    7   24   10 o   13.393   6.0074  -0.8418   2.6169   0.6257   3.6403  -2.4112   3.7647   17.488   7.4764   14.764   6.8405 2.723850 10.13356 
1 1 1    7   24   11 o   17.523   6.8197   1.9393   2.6958  -0.4789   3.7844   4.4304   3.8410   16.494   7.3224   23.040   8.3063 -6.546043 11.07307 
1 1 1    7   24   12 o   21.838   7.3277   4.1224   2.9613   1.0302   4.1771   7.2470   4.1989   18.727   8.0074   27.771   8.6804 -9.044159 11.80966 
1 1 1    7   24   13 o   23.730   7.2319   5.1032   2.9364   2.4036   4.1080   7.9237   4.1989   20.106   8.2162   28.749   8.6238 -8.643032 11.91114 
1 1 1    7   24   14 o   42.156   4.8677   14.990   3.1612   18.255   4.6413   12.165   4.3175   45.224   6.7457   35.989   7.8649 9.235558 10.36153 
1 1 1    7   24   15 o   13.280   6.0784  -1.2325   2.8478   0.5244   4.1252  -2.8320   3.9361   17.629   7.7433   14.399   6.7760 3.230091 10.28946 
1 1 1    7   24   16 o   13.174   6.0100  -1.0037   2.7540  -2.5549   4.0730   0.3028   3.7379   14.717   6.9154   16.553   7.3166 -1.835921 10.06749 
1 1 1    7   24   17 o   14.163   6.2366   0.1849   2.6917   1.7003   3.9374  -1.1446   3.6881   17.936   7.7235   14.782   6.8211 3.153991 10.30438 
1 1 1    7   24   18 o   13.489   6.1084  -0.3479   2.7807   1.8634   4.0019  -2.4121   3.8665   17.697   7.7029   13.840   6.5731 3.856981 10.12621 
1 1 1    7   24   19 o   14.307   6.3595   0.4948   2.8634   0.6469   4.1504   0.3566   3.9555   16.216   7.3900   15.736   7.1879 0.4793205 10.30909 
1 1 1    7   24   20 o   13.508   6.2980  -0.7425   3.2699   1.6603   4.5327  -3.3497   4.7217   16.977   7.7315   13.976   6.7937 3.000839 10.29226 
1 1 1    7   24   21 o   16.829   6.9347   2.7655   2.9580   1.8175   4.1444   3.7499   4.2231   16.493   7.4643   18.394   7.9598 -1.900230 10.91214 
1 1 1    7   24   22 o   11.261   5.4273  -2.2061   2.8552   4.0436   4.0008  -8.6923   4.0758   18.129   7.7957   10.490   5.2904 7.639130 9.421295 
1 1 1    7   24   23 o   8.6078   4.3388  -6.1446   2.7211  -6.6463   3.8494  -5.6434   3.8470   10.405   5.2338   10.757   5.3858 -0.3525267 7.509956 
1 1 1    7   24   24 o   12.348   5.7420   0.6650   2.6903   4.0004   3.8000  -2.6865   3.8092   15.719   7.1272   11.435   5.6645 4.283233 9.104005 
1 1 1    7   25    0 o   20.188   10.168   5.0947   3.9749   5.0947   3.9749   5.0947   3.9749   20.188   10.168   20.188   10.168 0.000000 0.000000 
1 1 1    7   25    1 o   49.213   3.8629   19.564   2.9594   19.136   4.2285   19.975   4.1432   47.858   5.7450   49.039   5.4772 -1.181381 7.937558 
1 1 1    7   25    2 o   16.045   6.6522   0.8515   2.7445   2.3043   3.8717  -0.6157   3.8909   20.212   8.0767   16.799   7.4431 3.412825 10.98329 
1 1 1    7   25    3 o   36.919   5.1182   11.338   2.8857   12.671   4.0882   10.014   4.0738   38.155   7.0886   33.461   7.8877 4.694397 10.60494 
1 1 1    7   25    4 o   25.241   6.8904   5.5844   2.8053   3.8458   4.0114   7.2483   3.9245   22.562   8.4287   28.354   8.2952 -5.792347 11.82595 
1 1 1    7   25    5 o   31.256   6.3842   8.4621   3.0255   4.8717   4.2851   12.031   4.2723   24.316   8.7725   36.766   7.6540 -12.45036 11.64217 
1 1 1    7   25    6 f   15.287   6.8848  -1.1131   3.4764   1.6447   4.8905  -3.9300   4.9427   20.774   8.7643   16.196   7.6125 4.578588 11.60878 
1 1 1    7   25    7 o   30.112   6.8503   8.0224   3.1639   7.7630   4.3681   8.3086   4.5889   28.930   8.8213   29.806   9.0319 -0.8752441 12.62494 
1 1 1    7   25    8 o   48.140   4.5085   19.090   3.3663   13.216   4.6657   25.468   4.8617   38.029   8.0682   54.904   5.7267 -16.87516 9.893987 
1 1 1    7   25    9 o   19.645   7.2631   2.9534   2.9642   0.3751   3.9806   6.1628   4.4412   17.703   7.6940   26.003   8.9697 -8.300526 11.81752 
1 1 1    7   25   10 o   16.798   6.8540   1.3847   2.8536   1.2453   3.9340   1.5394   4.1456   18.511   7.8376   19.188   8.0809 -0.6772709 11.25736 
1 1 1    7   25   11 o   35.676   5.4080   10.907   2.9330   14.115   4.1279   7.6374   4.1681   39.729   6.8694   28.190   8.6210 11.53828 11.02315 
1 1 1    7   25   12 o   13.665   6.1852  -0.9451   2.8470  -5.0859   3.9301   3.6273   4.1298   13.042   6.3060   21.561   8.4266 -8.518909 10.52492 
1 1 1    7   25   13 o   14.601   6.3995   0.0398   2.8041  -2.6134   3.9728   2.6741   3.9585   14.645   6.8649   19.887   8.0883 -5.242351 10.60888 
1 1 1    7   25   14 o   12.844   5.9284  -1.4405   2.7886   0.5675   3.8222  -3.7256   4.0775   17.011   7.4631   13.969   6.6667 3.042171 10.00715 
1 1 1    7   25   15 o   24.136   7.2372   5.7160   2.9576   3.5096   4.2063   7.8735   4.1596   20.556   8.3461   27.212   8.6576 -6.655107 12.02546 
1 1 1    7   25   16 o   33.084   5.9117   10.200   2.9567   12.242   4.2048   8.2036   4.1584   34.130   7.9921   26.944   8.6652 7.186378 11.78807 
1 1 1    7   25   17 o   10.911   5.2879  -3.3216   2.8056  -6.4145   3.9609  -0.2072   3.9746   11.698   5.7915   15.478   7.1200 -3.779264 9.177947 
1 1 1    7   25   18 o   12.031   5.6774  -1.5741   2.7985   1.9790   3.9252  -5.2469   3.9909   17.014   7.5099   12.074   5.9466 4.939354 9.579174 
1 1 1    7   25   19 o   13.730   6.1879   0.3661   2.8138   2.8143   4.0567  -1.9037   3.9061   17.547   7.6937   13.546   6.4810 4.001255 10.05964 
1 1 1    7   25   20 o   17.832   6.9277   3.4954   2.7780   8.7978   4.0920  -1.0374   3.7834   25.162   8.6123   13.756   6.5239 11.40600 10.80435 
1 1 1    7   25   21 f   16.129   6.4883   2.7413   2.5159   2.2055   3.5333   3.2924   3.5833   15.841   7.0515   17.045   7.3540 -1.203512 10.18846 
1 1 1    7   25   22 o   10.442   5.0373  -1.6361   2.4734  -2.5458   3.4909  -0.7191   3.5050   11.513   5.6485   12.588   6.0535 -1.075362 8.279476 
1 1 1    7   25   23 o   8.1551   4.1145  -5.4006   2.4790  -7.6305   3.4868  -3.1213   3.5253   9.1704   4.6547   10.843   5.3844 -1.672311 7.117491 
1 1 1    7   26    0 o   22.121   11.184   6.3805   4.8193   6.3805   4.8193   6.3805   4.8193   22.121   11.184   22.121   11.184 -0.000000 0.000000 
1 1 1    7   26    1 o   11.441   5.5608  -4.9393   3.1614 -10.8983   4.4235   1.2821   4.5198   11.668   5.8320   19.694   8.3722 -8.025612 10.20323 
1 1 1    7   26    2 o   17.852   7.2840   1.5552   3.2227   0.0943   4.6623   2.8919   4.4595   18.709   8.2241   21.471   8.6378 -2.761852 11.92676 
1 1 1    7   26    3 o   10.703   5.2641  -5.8962   3.0937  -2.6412   4.5316  -8.7374   4.2338   16.153   7.4912   12.085   5.9837 4.068228 9.587631 
1 1 1    7   26    4 o   17.050   7.1260   1.0589   3.1861  -1.3084   4.5391   3.3581   4.4732   17.185   7.7910   22.007   8.7182 -4.822290 11.69215 
1 1 1    7   26    5 o   20.609   7.3475   3.4653   2.9963   3.1064   4.2376   3.8240   4.2372   21.360   8.4778   22.344   8.5892 -0.9845276 12.06842 
1 1 1    7   26    6 o   14.231   6.4247  -1.0010   3.0480  -2.8405   4.1365   1.1840   4.5084   15.108   7.0570   19.388   8.3052 -4.280169 10.89848 
1 1 1    7   26    7 o   17.773   7.0580   1.9306   2.9385  -1.2744   4.2186   4.9515   4.0956   16.468   7.4836   23.765   8.5759 -7.297586 11.38203 
1 1 1    7   26    8 o   27.071   7.0098   6.6960   3.0012   6.6852   4.2516   6.7068   4.2371   26.504   8.7775   26.542   8.7615 -0.3815651E-01 12.40196 
1 1 1    7   26    9 o   12.381   5.8880  -3.1905   3.1231  -3.3436   4.1403  -2.9884   4.7571   14.606   6.8967   16.052   7.5204 -1.445374 10.20397 
1 1 1    7   26   10 o   16.914   6.9407   1.4909   2.9470  -0.4612   4.1000   3.5773   4.2388   16.740   7.5133   21.483   8.4943 -4.743338 11.34026 
1 1 1    7   26   11 o   12.033   5.7044  -2.7156   2.8869  -0.0459   4.1530  -5.2120   4.0159   17.072   7.6190   13.034   6.3194 4.037232 9.898702 
1 1 1    7   26   12 f   18.805   7.1971   2.8315   2.9662   2.7654   4.1356   2.9015   4.2567   19.905   8.2007   20.191   8.3195 -0.2868080 11.68188 
1 1 1    7   26   13 o   14.689   6.4851   0.1278   2.9285  -2.3797   4.1784   2.5489   4.1057   14.865   6.9910   19.306   8.0805 -4.440673 10.68498 
1 1 1    7   26   14 o   11.882   5.6662  -2.6376   2.9338  -3.7425   4.2267  -1.6104   4.0754   13.798   6.6384   14.931   6.9843 -1.133168 9.635857 
1 1 1    7   26   15 o   21.637   7.4337   4.9566   3.0494   3.9672   4.1783   6.0843   4.4606   20.050   8.2500   22.803   8.8003 -2.752573 12.06265 
1 1 1    7   26   16 o   17.681   7.0092   2.9665   2.8933  -0.0161   4.1226   5.8614   4.0615   15.562   7.1919   21.990   8.4203 -6.427599 11.07360 
1 1 1    7   26   17 o   15.410   6.6079   1.6518   2.8594   0.4339   4.0326   2.8834   4.0551   15.470   7.1362   17.743   7.7379 -2.273850 10.52621 
1 1 1    7   26   18 o   9.9387   4.9665  -6.2216   3.2015  -6.9340   4.4187  -5.4344   4.6449   11.790   5.8829   12.694   6.2822 -0.9042187 8.606652 
1 1 1    7   26   19 f   10.827   5.2497  -2.6593   2.7732  -4.6947   3.9198  -0.6196   3.9239   11.790   5.8231   14.076   6.6666 -2.286131 8.851678 
1 1 1    7   26   20 o   10.908   5.2763  -2.1535   2.7584  -4.3780   3.8984   0.0768   3.9036   11.595   5.7412   14.063   6.6571 -2.468289 8.790777 
1 1 1    7   26   21 o   15.381   6.6320   3.0317   2.9108   1.5097   4.1060   4.5694   4.1272   14.249   6.7691   16.608   7.4888 -2.358763 10.09469 
1 1 1    7   26   22 o   8.6180   4.3602  -6.2104   2.9022  -3.0513   4.1268  -9.3015   4.0821   11.419   5.6958   9.4846   4.8353 1.934469 7.471398 
1 1 1    7   27    0 o   18.239   9.8937   4.3064   3.9768   4.3064   3.9768   4.3064   3.9768   18.239   9.8937   18.239   9.8937 0.000000 0.000000 
1 1 1    7   27    1 o   17.501   6.9274   1.9074   2.8222  -4.4391   4.0091   8.1417   3.9735   13.668   6.5468   29.236   8.2842 -15.56802 10.55883 
1 1 1    7   27    2 o   19.162   7.0660   2.8807   2.8023   2.6864   3.9772   3.0722   3.9489   20.254   8.1541   20.746   8.1999 -0.4922981 11.56411 
1 1 1    7   27    3 o   21.858   7.1645   4.2483   2.8352   4.5671   4.0035   3.9276   4.0157   22.963   8.4495   22.002   8.3855 0.9605961 11.90420 
1 1 1    7   27    4 o   20.042   7.3655   3.2609   3.0406   0.1899   4.0583   7.1911   4.5910   17.408   7.6620   27.180   9.1240 -9.771736 11.91439 
1 1 1    7   27    5 o   12.736   5.8998  -1.7517   2.7989   0.8068   3.9861  -4.2399   3.9309   17.891   7.7378   13.557   6.4906 4.333931 10.09957 
1 1 1    7   27    6 o   17.472   6.9490   1.9405   2.8526  -3.5739   3.9981   7.6584   4.0713   14.100   6.6927   27.990   8.5125 -13.89059 10.82846 
1 1 1    7   27    7 o   14.346   6.3483  -0.2228   2.8220  -5.7992   3.9909   5.3536   3.9909   12.716   6.1955   23.900   8.4840 -11.18465 10.50538 
1 1 1    7   27    8 o   18.862   7.0707   2.8640   2.8280   4.4708   4.0005   1.2591   3.9982   22.347   8.4029   18.147   7.7981 4.200161 11.46380 
1 1 1    7   27    9 o   12.065   5.7426  -2.9265   2.9842  -2.7641   3.9211  -3.1502   4.6004   14.298   6.7389   15.326   7.2465 -1.028321 9.895675 
1 1 1    7   27   10 o   14.893   6.5994   0.0097   3.0596  -2.4979   4.3248   2.5224   4.3291   15.139   7.1174   19.652   8.2659 -4.513103 10.90789 
1 1 1    7   27   11 o   11.639   5.5957  -3.3127   2.9906  -5.9905   4.1937  -0.5417   4.2661   12.705   6.2246   16.306   7.4545 -3.601031 9.711543 
1 1 1    7   27   12 o   15.386   6.7107   0.7932   3.0509   0.7555   4.2393   0.8338   4.3940   17.046   7.6461   17.306   7.7716 -0.2592049 10.90238 
1 1 1    7   27   13 o   14.529   6.4562   0.3976   2.9490  -4.2417   4.1436   5.1596   4.1980   13.120   6.3744   21.555   8.4746 -8.435369 10.60433 
1 1 1    7   27   14 o   13.711   6.2398  -0.1474   2.9462  -2.9523   4.1280   2.7651   4.2064   13.581   6.5406   18.178   7.9047 -4.596812 10.25980 
1 1 1    7   27   15 o   22.546   7.5710   5.9739   3.1612   8.5074   4.4600   3.4162   4.4812   24.852   8.9518   18.503   8.1002 6.349512 12.07263 
1 1 1    7   27   16 o   15.312   6.7142   1.5437   3.0899   4.2316   4.3655  -1.1547   4.3741   18.892   8.1337   14.507   6.9184 4.384654 10.67809 
1 1 1    7   27   17 o   21.823   7.2948   5.7752   2.9350   7.2944   4.1500   4.2549   4.1515   22.473   8.5341   18.592   7.9669 3.881407 11.67488 
1 1 1    7   27   18 o   12.300   5.7459  -0.5336   2.7435   5.0186   3.9996  -5.4674   3.7703   19.008   7.9669   11.083   5.5145 7.925575 9.689278 
1 1 1    7   27   19 o   9.4638   4.6825  -3.6406   2.5756  -2.7091   3.6301  -4.5849   3.6549   11.759   5.7673   10.920   5.4327 0.8391390 7.923124 
1 1 1    7   27   20 o   11.739   5.5227   0.0583   2.6113   3.4630   3.7047  -3.3038   3.6814   15.325   6.9831   11.051   5.4903 4.273739 8.882967 
1 1 1    7   28    0 o   38.764   7.7178   13.968   4.1690   13.968   4.1690   13.968   4.1690   38.764   7.7178   38.764   7.7178 0.000000 0.000000 
1 1 1    7   28    1 o   16.254   6.7778   1.2032   2.8728  -2.3479   4.1086   4.6002   4.0183   15.069   7.0370   22.578   8.4357 -7.508697 10.98545 
1 1 1    7   28    2 o   23.244   7.1985   5.0684   2.8949   6.2785   4.0939   3.8581   4.0942   25.236   8.6149   21.506   8.3945 3.730453 12.02847 
1 1 1    7   28    3 o   11.043   5.3433  -3.8529   2.8353  -2.4105   3.9971  -5.3138   4.0225   14.756   6.9070   12.961   6.2932 1.795409 9.344099 
1 1 1    7   28    4 o   17.569   7.1799   1.8818   3.1374   0.7279   4.6906   2.8160   4.2204   18.480   8.1809   20.120   8.2865 -1.640024 11.64446 
1 1 1    7   28    5 o   16.570   6.8394   1.4977   2.8835  -1.9693   4.0697   4.9926   4.0861   15.144   7.0490   22.930   8.5183 -7.785908 11.05664 
1 1 1    7   28    6 o   11.358   5.4592  -3.3248   2.8425  -4.1175   4.0361  -2.5448   4.0038   13.559   6.5139   14.527   6.8354 -0.9679346 9.442097 
1 1 1    7   28    7 o   10.520   5.1498  -4.5876   2.8520  -0.1399   3.9826  -9.2700   4.0862   16.342   7.3637   11.173   5.5875 5.168681 9.243587 
1 1 1    7   28    8 o   10.285   5.0894  -5.8193   3.0464  -8.9528   4.3441  -2.7874   4.2731   11.721   5.8460   14.640   6.9404 -2.918658 9.074401 
1 1 1    7   28    9 o   22.123   7.7643   5.0629   3.3352   2.9301   4.4591   7.7709   5.0246   19.487   8.3010   25.514   9.4521 -6.027441 12.57971 
1 1 1    7   28   10 o   16.931   7.0289   2.0922   3.0700   3.6378   4.3873   0.6094   4.2973   19.854   8.3342   16.759   7.5910 3.094721 11.27306 
1 1 1    7   28   11 o   14.292   6.4556   0.0727   3.0824  -4.4861   4.2247   5.2618   4.5073   13.026   6.3530   21.370   8.6530 -8.343267 10.73475 
1 1 1    7   28   12 o   15.113   6.6036   1.1567   2.9657   1.9973   4.2189   0.3356   4.1699   17.288   7.6997   15.797   7.2763 1.490563 10.59386 
1 1 1    7   28   13 f   12.818   5.9552  -0.7055   2.8832  -0.0965   4.0561  -1.3275   4.0991   15.051   7.0163   14.238   6.7636 0.8130531 9.745533 
1 1 1    7   28   14 o   11.521   5.5317  -2.1947   2.9019   0.1354   4.0895  -4.5581   4.1185   15.025   7.0178   12.305   6.0567 2.719997 9.270003 
1 1 1    7   28   15 o   10.207   5.0322  -4.1059   2.8828  -3.9181   4.0774  -4.2935   4.0764   12.417   6.0946   12.238   6.0240 0.1788635 8.569315 
1 1 1    7   28   16 o   13.596   6.1543   0.6322   2.8190   3.5859   4.1507  -1.8968   3.8407   17.501   7.7238   12.997   6.2718 4.503636 9.949509 
1 1 1    7   28   17 o   10.799   5.2018  -1.8265   2.6140  -4.2091   3.7371   0.4558   3.6576   11.357   5.6230   13.986   6.5658 -2.628543 8.644543 
1 1 1    7   28   18 o   10.675   5.1586  -1.4917   2.6205  -2.9623   3.7375  -0.0697   3.6751   11.440   5.6565   12.928   6.2120 -1.488135 8.401447 
1 1 1    7   28   19 o   10.629   5.1816  -1.4832   2.8018  -0.3392   4.3040  -2.3245   3.6910   12.645   6.2176   11.253   5.5746 1.392009 8.350694 
1 1 1    7   29    0 o   20.469   11.581   6.4921   5.7200   6.4921   5.7200   6.4921   5.7200   20.469   11.581   20.469   11.581 -0.000000 0.000000 
1 1 1    7   29    1 o   18.001   7.6492   1.8923   3.7700   2.4684   5.2959   1.3005   5.3681   20.124   8.8079   19.193   8.6069 0.9306889 12.31492 
1 1 1    7   29    2 o   20.608   7.9828   3.9331   3.6804   2.7041   5.1987   5.1679   5.2110   20.197   8.7853   22.739   9.2682 -2.542141 12.77031 
1 1 1    7   29    3 o   14.823   6.8304  -1.0166   3.6799  -3.2130   5.1800   1.2210   5.2285   15.753   7.5168   18.824   8.4635 -3.071156 11.31958 
1 1 1    7   29    4 o   13.437   6.3520  -2.3193   3.5317  -2.9214   4.8106  -1.6154   5.2014   15.269   7.2741   16.621   7.8115 -1.352513 10.67389 
1 1 1    7   29    5 o   12.996   6.1349  -2.0926   3.2726  -2.8682   4.4219  -1.1533   4.8662   14.568   6.9498   16.324   7.6346 -1.756274 10.32414 
1 1 1    7   29    6 o   12.993   6.0180  -1.0960   2.9107  -3.6958   4.0819   1.5934   4.1517   13.393   6.4635   17.526   7.7303 -4.133057 10.07646 
1 1 1    7   29    7 o   14.217   6.3521   0.2310   2.8953   0.3792   4.0797   0.0806   4.1097   16.139   7.3441   15.925   7.2938 0.2145433 10.35057 
1 1 1    7   29    8 f   22.409   7.3210   5.4776   2.9614   2.7397   4.1894   8.2123   4.1869   18.278   7.9189   25.756   8.7133 -7.477938 11.77419 
1 1 1    7   29    9 o   16.670   7.1147   2.1439   3.2867   3.2474   4.5664   0.9578   4.7345   18.676   8.1765   16.832   7.7532 1.843628 11.26793 
1 1 1    7   29   10 o   13.796   6.2247   0.2925   2.8567   4.4912   4.0484  -3.8716   4.0317   19.602   8.0987   12.691   6.1932 6.910978 10.19536 
1 1 1    7   29   11 o   12.736   5.9050  -0.5446   2.8127  -1.6591   3.9849   0.5619   3.9707   13.726   6.5615   15.299   7.0658 -1.572803 9.642578 
1 1 1    7   29   12 o   17.096   6.8380   3.0884   2.7778   0.6394   3.9235   5.5495   3.9333   15.121   6.9979   20.339   8.1363 -5.218184 10.73172 
1 1 1    7   29   13 o   13.905   6.2152   0.8685   2.7746   0.4560   3.8711   1.3042   3.9788   14.760   6.8718   15.538   7.1388 -0.7778082 9.908730 
1 1 1    7   29   14 o   12.579   5.8333  -0.2331   2.7470  -2.1680   3.9108   1.6512   3.8594   12.889   6.2457   15.519   7.0930 -2.630440 9.450898 
1 1 1    7   29   15 o   17.943   6.9003   4.0673   2.7355   1.2727   3.8691   6.8607   3.8682   14.807   6.8858   20.887   8.1576 -6.079168 10.67523 
1 1 1    7   29   16 o   14.390   6.3464   2.1625   2.7974  -4.7892   4.0435   8.5446   3.8743   11.145   5.5712   21.921   8.2635 -10.77636 9.966149 
1 1 1    7   29   17 o   16.231   6.7651   4.1134   2.8600   2.5510   4.0517   5.6651   4.0377   14.290   6.7697   16.797   7.5035 -2.507425 10.10603 
1 1 1    7   30    0 f   18.147   10.076   5.2594   4.2297   5.2594   4.2297   5.2594   4.2297   18.147   10.076   18.147   10.076 0.000000 0.000000 
1 1 1    7   30    1 o   12.024   5.7137  -2.0553   2.9299  -1.0118   4.1395  -3.1028   4.1474   14.917   6.9971   13.581   6.5444 1.335796 9.580668 
1 1 1    7   30    2 o   15.736   6.7297   1.5709   2.9515  -0.6272   4.1586   3.8019   4.1896   15.185   7.0873   19.361   8.1368 -4.175546 10.79063 
1 1 1    7   30    3 o   12.818   5.9660  -0.9971   2.9141  -1.4732   4.1019  -0.5121   4.1406   14.447   6.8345   15.183   7.0816 -0.7358437 9.841702 
1 1 1    7   30    4 o   12.367   5.8312  -1.5298   2.9414  -0.5837   4.1213  -2.5120   4.1992   15.022   7.0256   13.858   6.6540 1.163893 9.676467 
1 1 1    7   30    5 o   12.993   6.0204  -0.6829   2.9172   0.4700   4.1382  -1.8219   4.1131   15.738   7.2489   14.066   6.7081 1.672289 9.876499 
1 1 1    7   30    6 o   14.323   6.4457   0.5428   3.0407   2.3061   4.1363  -1.5307   4.4854   17.200   7.6445   14.622   6.9822 2.577837 10.35323 
1 1 1    7   30    7 o   12.995   6.1017  -0.9786   3.1607  -3.1623   4.4462   1.2520   4.4939   13.538   6.5834   16.368   7.5444 -2.829667 10.01292 
1 1 1    7   30    8 o   14.977   6.6435   1.2922   3.1086  -4.9552   4.3337   7.9134   4.4615   12.425   6.1341   23.196   8.8392 -10.77103 10.75909 
1 1 1    7   30    9 o   16.188   7.1665   2.1599   3.6001   4.4200   5.0429  -0.1890   5.1412   18.704   8.3684   15.577   7.4481 3.127782 11.20288 
1 1 1    7   30   10 o   13.360   6.2610  -0.4252   3.3004  -2.6592   4.7445   1.6693   4.5941   13.781   6.7234   16.202   7.5239 -2.421858 10.09024 
1 1 1    7   30   11 o   14.560   6.5754   1.1566   3.1960  -1.8827   4.5256   4.1803   4.5140   13.811   6.6988   18.051   8.0064 -4.240499 10.43918 
1 1 1    7   30   12 o   13.434   6.2531   0.1348   3.2020  -7.7734   4.5150   8.1369   4.5417   11.261   5.6647   21.937   8.7538 -10.67601 10.42678 
1 1 1    7   30   13 o   16.013   6.8860   2.9864   3.1220   7.5871   4.3409  -1.9434   4.4934   20.777   8.4626   13.235   6.4757 7.541963 10.65599 
1 1 1    7   30   14 o   14.676   6.4854   2.4528   2.9352   3.8546   4.1098   0.9933   4.1934   15.999   7.3150   13.969   6.6920 2.029943 9.914200 
1 1 1    7   30   15 o   12.573   5.8647   0.9559   2.8405   4.2871   4.0016  -2.4272   4.0327   15.563   7.1536   11.611   5.7649 3.951365 9.187317 
1 1 1    7   30   16 o   10.784   5.2434  -0.9599   2.8180   4.5322   3.9893  -6.4304   3.9814   15.119   7.0174   9.9134   5.0257 5.205215 8.631405 
1 1 1    7   31    0 o   16.421   9.7709   4.7569   4.4093   4.7569   4.4093   4.7569   4.4093   16.421   9.7709   16.421   9.7709 0.000000 0.000000 
1 1 1    7   31    1 o   14.424   6.5243   0.7720   3.1612  -2.5667   4.4054   4.3162   4.5389   13.611   6.6035   18.737   8.1786 -5.126281 10.51167 
1 1 1    7   31    2 o   15.377   6.8903   1.4547   3.4331  -0.5274   4.8138   3.5061   4.8974   15.156   7.2362   18.001   8.1335 -2.844498 10.88653 
1 1 1    7   31    3 o   12.438   5.9714  -1.9747   3.3782  -3.8666   4.7913  -0.1045   4.7638   13.401   6.5834   15.316   7.2802 -1.914773 9.815466 
1 1 1    7   31    4 o   22.300   7.8906   6.5665   3.4498   3.7727   4.9526   9.1998   4.8082   18.066   8.1695   23.912   9.1603 -5.845715 12.27408 
1 1 1    7   31    5 o   17.060   7.4742   3.0453   3.8218  -0.2359   5.9821   5.3082   4.9679   15.958   7.7311   19.252   8.4751 -3.293716 11.47159 
1 1 1    7   31    6 f   13.380   6.2273  -0.1285   3.1746   2.9106   4.3810  -3.4885   4.6065   16.990   7.6832   13.176   6.4694 3.813739 10.04409 
1 1 1    7   31    7 o   14.668   6.5666   1.3561   3.1102   1.2586   4.3355   1.4594   4.4643   15.555   7.2522   15.783   7.3586 -0.2276793 10.33171 
1 1 1    7   31    8 o   12.573   5.9020  -0.5475   2.9540  -1.0128   4.2297  -0.1043   4.1275   13.862   6.6618   14.326   6.8000 -0.4634829 9.519502 
1 1 1    7   31    9 o   17.336   7.2116   3.7572   3.2409   4.5126   4.5096   2.9502   4.6607   17.877   7.9614   16.591   7.6600 1.285809 11.04806 
1 1 1    7   31   10 f   12.302   5.7662  -0.2873   2.8022  -2.6285   3.9242   2.1487   4.0029   12.296   6.0236   15.434   7.1162 -3.137689 9.323270 
1 1 1    7   31   11 o   14.696   6.4193   2.3180   2.8003   4.1009   3.9695   0.5516   3.9511   16.566   7.4171   13.769   6.5689 2.796765 9.907763 
1 1 1    7   31   12 o   10.268   5.0325  -2.2311   2.7488  -4.5297   3.8888   0.0643   3.8861   10.801   5.4085   12.910   6.2490 -2.109679 8.264492 
1 1 1    7   31   13 o   9.5965   4.7689  -3.1821   2.7845  -1.9245   3.9828  -4.3846   3.8944   11.610   5.7581   10.579   5.3134 1.031128 7.835033 
1 1 1    7   31   14 o   12.894   5.9272   1.8580   2.7479  -0.4746   3.8421   4.3005   3.9316   11.874   5.8455   14.784   6.8972 -2.909868 9.041077 
1 1 1    7   32    0 o   8.8593   6.3550  -4.2378   4.1831  -4.2378   4.1831  -4.2378   4.1831   8.8593   6.3550   8.8593   6.3550 0.000000 0.000000 
1 1 1    7   32    1 o   8.5527   4.3302  -7.6730   2.8937  -5.5370   4.0486  -9.9040   4.1375   11.379   5.6705   10.084   5.1136 1.295057 7.635663 
1 1 1    7   32    2 o   12.762   5.9494  -0.1703   2.9169  -3.7725   4.0916   3.5525   4.1596   12.168   5.9984   17.082   7.6242 -4.913079 9.700990 
1 1 1    7   32    3 o   10.747   5.2546  -2.9672   2.9439  -1.0269   4.1222  -4.9869   4.2057   13.587   6.5414   11.774   5.8527 1.812610 8.777475 
1 1 1    7   32    4 o   12.380   5.8817  -0.8637   3.1011   1.2978   4.4432  -2.9166   4.3302   15.227   7.1761   12.768   6.2698 2.459110 9.529231 
1 1 1    7   32    5 o   9.9193   5.0058  -7.7034   3.6826 -11.3405   5.2509  -4.1827   5.1662   11.082   5.6339   13.035   6.4808 -1.953058 8.587349 
1 1 1    7   32    6 o   11.065   5.4064  -2.6093   3.1002  -2.5356   4.4118  -2.6812   4.3573   12.817   6.3007   12.694   6.2446 0.1227474 8.870914 
1 1 1    7   32    7 o   15.373   6.7467   2.7546   3.1257   2.2087   4.3697   3.3266   4.4729   15.178   7.1414   15.987   7.4240 -0.8097095 10.30121 
1 1 1    7   32    8 o   12.982   6.0825   0.6876   3.1127   5.3145   4.4130  -3.8937   4.3912   17.023   7.7034   11.769   5.8710 5.254552 9.685591 
1 1 1    7   32    9 o   10.477   5.2299  -3.9398   3.5084  -0.5510   4.8517  -7.6540   5.0793   13.065   6.4573   11.035   5.6031 2.029387 8.549349 
1 1 1    7   32   10 o   12.943   6.0399   1.4838   3.0181   1.5819   4.2612   1.3851   4.2751   13.438   6.5139   13.337   6.4788 0.1010838 9.187255 
1 1 1    7   32   11 f   14.044   6.3321   2.9904   2.9497   3.8634   4.3595   2.2533   4.0059   14.315   6.8484   13.385   6.4455 0.9294977 9.404540 
1 1 1    7   33    0 o   8.2706   5.9875  -4.6478   4.1319  -4.6478   4.1319  -4.6478   4.1319   8.2706   5.9875   8.2706   5.9875 -0.000000 0.000000 
1 1 1    7   33    1 o   12.093   5.7309   0.0086   2.9082   0.5563   4.1129  -0.5390   4.1128   13.425   6.4812   12.832   6.2604 0.5930290 9.011028 
1 1 1    7   33    2 o   11.768   5.6188  -0.3370   2.9040   1.7230   4.0747  -2.4631   4.1397   14.030   6.6871   11.895   5.8943 2.135402 8.914014 
1 1 1    7   33    3 o   11.077   5.4107  -1.6357   3.0983   1.8518   4.1016  -6.2703   4.7282   13.987   6.6783   11.084   5.6030 2.902736 8.717431 
1 1 1    7   33    4 o   11.189   5.4223  -0.9760   2.9473   1.5107   4.2598  -3.2595   4.0822   13.640   6.5877   11.313   5.6461 2.327474 8.676197 
1 1 1    7   33    5 o   9.3363   4.6989  -5.0786   3.1257  -4.2075   4.1512  -6.2191   4.7500   10.920   5.4852   10.887   5.5161 0.3325367E-01 7.779131 
1 1 1    7   33    6 o   12.347   5.8232   0.9886   2.9367   7.0490   4.1287  -5.2173   4.1780   17.248   7.6533   10.503   5.3042 6.745428 9.311689 
1 1 1    7   33    7 o   11.084   5.3601  -0.3791   2.8431   4.2963   4.0633  -4.8636   3.9795   14.650   6.8912   10.275   5.1876 4.375333 8.625560 
1 1 1    7   33    8 o   12.545   5.8821   1.6481   2.9201   0.4031   4.1219   2.9026   4.1375   12.229   6.0270   13.510   6.5168 -1.280341 8.876561 
1 1 1    7   34    0 f   14.124   9.1371   6.2765   4.7591   6.2765   4.7591   6.2765   4.7591   14.124   9.1371   14.124   9.1371 -0.000000 0.000000 
1 1 1    7   34    1 o   9.7359   4.9100  -4.3818   3.5103  -4.3575   4.7150  -4.4119   5.2578   10.809   5.4786   11.132   5.6571 -0.3230591 7.875169 
1 1 1    8    0    0 o  276.928   2.8928  602.000   12.568  602.000   12.568  602.000   12.568  276.928   2.8928  276.928   2.8928 -0.000000 0.000000 
1 1 1    8    0    1 o  207.183   2.6049  337.026   8.4664  337.026   8.4664  337.026   8.4664  207.183   2.6049  207.183   2.6049 0.000000 0.000000 
1 1 1    8    0    2 o  403.814   2.5334  1279.86   16.053  1279.86   16.053  1279.86   16.053  403.814   2.5334  403.814   2.5334 0.000000 0.000000 
1 1 1    8    0    3 o  275.841   2.0458  597.191   8.8546  597.191   8.8546  597.191   8.8546  275.841   2.0458  275.841   2.0458 0.000000 0.000000 
1 1 1    8    0    4 o  325.667   2.2265  832.421   11.378  832.421   11.378  832.421   11.378  325.667   2.2265  325.667   2.2265 -0.000000 0.000000 
1 1 1    8    0    5 o   74.602   2.7923   43.861   3.2586   43.861   3.2586   43.861   3.2586   74.602   2.7923   74.602   2.7923 0.000000 0.000000 
1 1 1    8    0    6 f   8.4076   5.3905   0.0514   1.6090   0.0514   1.6090   0.0514   1.6090   8.4076   5.3905   8.4076   5.3905 -0.000000 0.000000 
1 1 1    8    0    7 o  219.411   3.8234  378.206   13.156  378.206   13.156  378.206   13.156  219.411   3.8234  219.411   3.8234 -0.000000 0.000000 
1 1 1    8    0    8 o  307.905   2.1704  744.071   10.486  744.071   10.486  744.071   10.486  307.905   2.1704  307.905   2.1704 -0.000000 0.000000 
1 1 1    8    0    9 o  527.587   4.3579  2185.18   36.075  2185.18   36.075  2185.18   36.075  527.587   4.3579  527.587   4.3579 -0.000000 0.000000 
1 1 1    8    0   10 o  179.509   2.3388  252.991   6.5860  252.991   6.5860  252.991   6.5860  179.509   2.3388  179.509   2.3388 -0.000000 0.000000 
1 1 1    8    0   11 o  366.147   2.7691  1052.24   15.909  1052.24   15.909  1052.24   15.909  366.147   2.7691  366.147   2.7691 -0.000000 0.000000 
1 1 1    8    0   12 o  464.996   3.2441  1697.15   23.671  1697.15   23.671  1697.15   23.671  464.996   3.2441  464.996   3.2441 -0.000000 0.000000 
1 1 1    8    0   13 o  191.819   3.0492  288.988   9.1735  288.988   9.1735  288.988   9.1735  191.819   3.0492  191.819   3.0492 0.000000 0.000000 
1 1 1    8    0   14 o  243.638   2.2900  465.953   8.7541  465.953   8.7541  465.953   8.7541  243.638   2.2900  243.638   2.2900 0.000000 0.000000 
1 1 1    8    0   15 o  104.984   1.9381   86.582   3.1906   86.582   3.1906   86.582   3.1906  104.984   1.9381  104.984   1.9381 -0.000000 0.000000 
1 1 1    8    0   16 o  123.125   1.8465  119.055   3.5661  119.055   3.5661  119.055   3.5661  123.125   1.8465  123.125   1.8465 -0.000000 0.000000 
1 1 1    8    0   17 o  132.244   1.8171  137.342   3.7695  137.342   3.7695  137.342   3.7695  132.244   1.8171  132.244   1.8171 -0.000000 0.000000 
1 1 1    8    0   18 o   87.188   2.0207   59.772   2.7615   59.772   2.7615   59.772   2.7615   87.188   2.0207   87.188   2.0207 -0.000000 0.000000 
1 1 1    8    0   19 o   27.912   4.8499   6.6574   1.9324   6.6574   1.9324   6.6574   1.9324   27.912   4.8499   27.912   4.8499 0.000000 0.000000 
1 1 1    8    0   20 o  152.317   1.8269  182.240   4.3655  182.240   4.3655  182.240   4.3655  152.317   1.8269  152.317   1.8269 0.000000 0.000000 
1 1 1    8    0   21 o   74.981   2.2051   44.281   2.5897   44.281   2.5897   44.281   2.5897   74.981   2.2051   74.981   2.2051 0.000000 0.000000 
1 1 1    8    0   22 o   61.520   2.4821   29.895   2.3874   29.895   2.3874   29.895   2.3874   61.520   2.4821   61.520   2.4821 0.000000 0.000000 
1 1 1    8    0   23 o   40.115   3.2771   12.927   2.0303   12.927   2.0303   12.927   2.0303   40.115   3.2771   40.115   3.2771 0.000000 0.000000 
1 1 1    8    0   24 o   74.897   2.4535   44.287   2.8768   44.287   2.8768   44.287   2.8768   74.897   2.4535   74.897   2.4535 0.000000 0.000000 
1 1 1    8    0   25 o   13.148   6.7318   2.0470   1.7587   2.0470   1.7587   2.0470   1.7587   13.148   6.7318   13.148   6.7318 0.000000 0.000000 
1 1 1    8    0   26 o  103.122   2.0014   83.796   3.2361   83.796   3.2361   83.796   3.2361  103.122   2.0014  103.122   2.0014 -0.000000 0.000000 
1 1 1    8    0   27 o   6.5056   4.4843  -1.0958   1.5219  -1.0958   1.5219  -1.0958   1.5219   6.5056   4.4843   6.5056   4.4843 0.000000 0.000000 
1 1 1    8    0   28 o   42.189   2.4077   14.195   1.5821   14.195   1.5821   14.195   1.5821   42.189   2.4077   42.189   2.4077 0.000000 0.000000 
1 1 1    8    0   29 f   10.344   6.9383  -0.7709   3.1600  -0.7709   3.1600  -0.7709   3.1600   10.344   6.9383   10.344   6.9383 0.000000 0.000000 
1 1 1    8    0   30 o   21.990   9.2216   6.0525   3.1943   6.0525   3.1943   6.0525   3.1943   21.990   9.2216   21.990   9.2216 0.000000 0.000000 
1 1 1    8    0   31 o   13.789   8.1468   2.4494   3.0259   2.4494   3.0259   2.4494   3.0259   13.789   8.1468   13.789   8.1468 0.000000 0.000000 
1 1 1    8    0   32 o   8.3164   5.8373  -2.3378   2.9109  -2.3378   2.9109  -2.3378   2.9109   8.3164   5.8373   8.3164   5.8373 0.000000 0.000000 
1 1 1    8    0   33 o   13.539   7.9975   2.7505   2.9148   2.7505   2.9148   2.7505   2.9148   13.539   7.9975   13.539   7.9975 0.000000 0.000000 
1 1 1    8    1    0 o  353.495   2.3268  980.752   12.906  980.752   12.906  980.752   12.906  353.495   2.3268  353.495   2.3268 0.000000 0.000000 
1 1 1    8    1    1 o  664.754   2.6245  3468.57   27.378  3448.27   38.479  3489.39   38.963  662.692   3.7000  666.628   3.7245 -3.936462 5.249959 
1 1 1    8    1    2 o  514.981   2.1351  2081.43   17.255  2120.43   24.826  2044.98   23.998  519.720   3.0440  510.394   2.9962 9.325928 4.271165 
1 1 1    8    1    3 o  532.652   2.1894  2226.77   18.301  2223.86   25.853  2229.68   25.909  532.236   3.0953  532.932   3.0980 -0.6956177 4.379310 
1 1 1    8    1    4 o  273.097   1.5421  585.284   6.6090  586.444   8.7556  583.748   10.076  273.354   2.0411  272.715   2.3544 0.6391907 3.115912 
1 1 1    8    1    5 o  213.939   1.8677  359.201   6.2704  352.070   8.7995  366.557   8.9375  211.785   2.6476  216.099   2.6355 -4.313766 3.735716 
1 1 1    8    1    6 o  151.607   1.2550  180.363   2.9860  176.346   4.1908  184.506   4.2555  149.903   1.7815  153.332   1.7685 -3.428864 2.510247 
1 1 1    8    1    7 o  173.569   1.5489  236.410   4.2189  239.779   7.0455  234.526   5.2677  174.785   2.5686  172.871   1.9418 1.914352 3.219973 
1 1 1    8    1    8 o  318.178   1.6141  794.437   8.0597  796.007   11.046  792.648   11.786  318.478   2.2101  317.802   2.3633 0.6768799 3.235687 
1 1 1    8    1    9 o  113.651   1.9759  101.362   3.5241  101.385   4.1956  101.309   6.4941  113.660   2.3522  113.545   3.6493 0.1151886 4.341724 
1 1 1    8    1   10 o  641.897   2.7309  3233.74   27.509  3247.72   39.081  3220.00   38.729  643.211   3.8717  640.461   3.8534 2.749634 5.462497 
1 1 1    8    1   11 o  313.961   1.8777  773.530   9.2512  781.130   12.627  764.722   13.593  315.485   2.5503  312.149   2.7750 3.336731 3.768903 
1 1 1    8    1   12 o  311.522   1.7944  761.563   8.7724  755.815   12.335  767.446   12.478  310.326   2.5329  312.705   2.5428 -2.378479 3.589069 
1 1 1    8    1   13 o  124.236   2.0056  121.129   3.9101  122.757   5.1297  118.872   6.0409  125.060   2.6138  123.017   3.1317 2.043098 4.079164 
1 1 1    8    1   14 o  354.717   1.7758  987.446   9.8850  985.966   13.956  988.937   14.003  354.422   2.5092  354.955   2.5138 -0.5334473 3.551842 
1 1 1    8    1   15 o  254.057   1.5130  506.540   6.0323  504.347   8.5064  508.759   8.5558  253.484   2.1384  254.591   2.1415 -1.106277 3.026313 
1 1 1    8    1   16 o  144.163   1.3417  163.109   3.0353  165.384   4.1569  160.510   4.4424  145.153   1.8249  142.993   1.9797 2.159805 2.692484 
1 1 1    8    1   17 o  122.665   1.4106  118.107   2.7154  115.884   4.1312  119.797   3.6030  121.475   2.1671  123.523   1.8587 -2.047661 2.855017 
1 1 1    8    1   18 o   52.931   1.8569   22.029   1.5401   23.622   2.1579   20.375   2.1986   54.768   2.5175   50.836   2.7663 3.931980 3.740363 
1 1 1    8    1   19 o   57.035   1.7763   25.574   1.5880   25.390   2.2585   25.755   2.2331   56.771   2.5415   57.183   2.4945 -0.4115028 3.561166 
1 1 1    8    1   20 o   31.738   2.8171   7.9903   1.3886   7.6438   1.9744   8.3295   1.9532   30.830   4.1891   32.248   3.9414 -1.418636 5.751794 
1 1 1    8    1   21 o   77.970   1.5315   47.756   1.8739   47.486   2.6722   48.018   2.6286   77.671   2.1945   78.111   2.1464 -0.4397202 3.069671 
1 1 1    8    1   22 o   99.388   1.4808   77.609   2.3097   79.092   3.1144   75.797   3.4430  100.282   1.9790   98.139   2.2356 2.142868 2.985669 
1 1 1    8    1   23 o   37.359   2.5768   11.058   1.5015   11.540   2.1180   10.570   2.1288   38.000   3.5944   36.316   3.7912 1.684044 5.224243 
1 1 1    8    1   24 o   25.514   3.5870   5.2698   1.3966   3.9831   1.9669   6.5784   1.9834   21.785   5.6915   28.314   4.6232 -6.528782 7.332658 
1 1 1    8    1   25 o  110.809   1.4035   96.587   2.4405   91.381   3.4407  101.858   3.4623  107.632   2.0370  113.663   1.9410 -6.030586 2.813727 
1 1 1    8    1   26 o   28.612   2.9329   6.5754   1.2983   3.1458   1.8339   10.021   1.8382   19.329   5.6748   35.275   3.3612 -15.94593 6.595525 
1 1 1    8    1   27 f   55.231   1.6802   24.085   1.4546   21.382   1.9880   27.200   2.1340   51.852   2.4501   58.532   2.3279 -6.680588 3.379635 
1 1 1    8    1   28 f   16.951   4.9645   2.4390   1.4050   4.6907   1.9395  -0.0476   2.0381   23.242   5.4179   12.695   5.5115 10.54717 7.728573 
1 1 1    8    1   29 o   10.026   4.6017  -0.9607   1.6472   2.1175   3.1431  -2.1262   1.9341   18.055   7.2559   9.7403   4.6325 8.315105 8.608617 
1 1 1    8    1   30 f   16.024   6.1496   1.9751   2.1697   0.4895   3.0904   3.4190   3.0468   15.296   6.7108   19.461   7.3298 -4.164268 9.937859 
1 1 1    8    1   31 o   16.712   6.1731   2.4911   2.1404   7.3419   3.0998  -1.9291   2.9590   26.484   7.2485   12.340   5.8278 14.14398 9.300772 
1 1 1    8    1   32 o   12.097   5.4061  -0.0524   2.0983   3.0756   2.9881  -3.0955   2.9472   17.931   7.1184   11.291   5.4598 6.639849 8.971087 
1 1 1    8    1   33 o   9.7305   4.6640  -1.8125   2.0428  -1.2068   2.9156  -2.3966   2.8631   12.147   5.7511   11.170   5.3963 0.9771757 7.886352 
1 1 1    8    2    0 o  136.770   2.0267  146.890   4.3478  146.890   4.3478  146.890   4.3478  136.770   2.0267  136.770   2.0267 -0.000000 0.000000 
1 1 1    8    2    1 o  268.274   1.4252  564.780   6.0002  564.987   8.4876  564.574   8.4835  268.309   2.0158  268.211   2.0155 0.9817505E-01 2.850572 
1 1 1    8    2    2 o  194.540   1.2922  296.982   3.9450  298.177   5.5914  295.799   5.5670  194.922   1.8279  194.143   1.8272 0.7788086 2.584555 
1 1 1    8    2    3 o  187.605   1.2770  276.186   3.7596  281.248   5.3585  271.280   5.2761  189.307   1.8037  185.922   1.8083 3.385040 2.554101 
1 1 1    8    2    4 o   59.702   1.9814   28.004   1.8538   27.363   2.6165   28.650   2.6270   58.972   2.8356   60.350   2.7813 -1.377495 3.971902 
1 1 1    8    2    5 o  240.757   1.4181  454.863   5.3580  458.635   7.8824  451.622   7.3051  241.738   2.0778  239.887   1.9405 1.851791 2.843027 
1 1 1    8    2    6 o  185.234   1.2881  269.249   3.7443  266.946   5.2765  271.585   5.3143  184.433   1.8231  186.028   1.8204 -1.595398 2.576290 
1 1 1    8    2    7 o  203.782   1.5253  325.875   4.8777  339.858   8.6740  319.408   5.8988  208.087   2.6562  201.745   1.8632 6.342178 3.244523 
1 1 1    8    2    8 o  196.738   1.3611  303.727   4.2023  304.328   5.7519  303.039   6.1544  196.927   1.8612  196.507   1.9957 0.4195099 2.728934 
1 1 1    8    2    9 o  299.058   1.7522  701.828   8.2234  713.823   10.909  686.045   12.514  301.592   2.3050  295.656   2.6972 5.935699 3.547954 
1 1 1    8    2   10 o  234.370   1.4777  431.032   5.4351  434.397   7.7025  427.696   7.6703  235.275   2.0862  233.454   2.0937 1.821701 2.955582 
1 1 1    8    2   11 o  653.555   2.7715  3352.32   28.426  3335.78   40.001  3369.21   40.402  651.862   3.9103  655.118   3.9298 -3.256531 5.543806 
1 1 1    8    2   12 o  466.005   2.1250  1704.24   15.540  1684.36   21.731  1725.06   22.232  463.240   2.9893  468.801   3.0219 -5.561462 4.250676 
1 1 1    8    2   13 o  125.550   1.4280  123.694   2.8135  125.597   3.9979  121.828   3.9602  126.506   2.0138  124.593   2.0254 1.912735 2.856167 
1 1 1    8    2   14 o  116.182   1.6378  105.929   2.9860  107.848   4.0446  103.631   4.4271  117.222   2.1986  114.904   2.4551 2.318459 3.295706 
1 1 1    8    2   15 f   94.619   1.8245   70.266   2.7092   65.490   3.4142   78.386   4.4517   91.307   2.3848   99.877   2.8431 -8.569794 3.710900 
1 1 1    8    2   16 o  109.085   1.4594   93.394   2.4983   89.512   3.4745   97.550   3.5950  106.780   2.0735  111.472   2.0551 -4.691986 2.919341 
1 1 1    8    2   17 o  259.582   1.5278  528.954   6.2235  524.784   8.7310  533.261   8.8734  258.501   2.1523  260.578   2.1699 -2.077545 3.056288 
1 1 1    8    2   18 o  119.533   1.4104  112.168   2.6457  115.302   3.7430  109.038   3.7402  121.163   1.9685  117.823   2.0228 3.340668 2.822575 
1 1 1    8    2   19 o   82.065   1.5379   52.883   1.9806   53.499   2.7026   52.168   2.9110   82.490   2.0894   81.441   2.2799 1.049026 3.092506 
1 1 1    8    2   20 o   63.047   1.6875   31.247   1.6681   31.940   2.3722   30.569   2.3461   63.685   2.3778   62.299   2.4043 1.386356 3.381485 
1 1 1    8    2   21 o   67.692   1.6383   36.002   1.7403   36.607   2.4765   35.413   2.4461   68.173   2.3182   67.050   2.3283 1.123375 3.285585 
1 1 1    8    2   22 o   16.779   5.5161   2.1608   1.6801   0.8686   2.5373   3.1697   2.2420   15.929   6.4767   19.999   6.3554 -4.069444 9.074089 
1 1 1    8    2   23 o   43.138   2.4990   14.720   1.6845   16.232   2.4028   13.259   2.3622   45.155   3.4162   40.723   3.7379 4.431545 5.063833 
1 1 1    8    2   24 o   23.970   3.8374   4.6841   1.3948   7.0891   2.0291   2.5295   1.9205   29.433   4.5386   17.947   5.8974 11.48640 7.441680 
1 1 1    8    2   25 o   31.200   2.9283   7.7880   1.4170   8.8708   2.0587   6.8133   1.9533   33.043   4.0550   28.786   4.4687 4.257416 6.034266 
1 1 1    8    2   26 o   34.160   2.6189   9.3086   1.3932   9.9653   2.0404   8.7349   1.9070   35.056   3.7680   32.795   3.7742 2.261585 5.333160 
1 1 1    8    2   27 o   28.855   2.8456   6.6956   1.2718   5.0834   1.8177   8.2419   1.7801   24.508   4.8975   31.821   3.6296 -7.312138 6.095891 
1 1 1    8    2   28 o   28.196   3.9527   6.5798   1.7010   9.4344   2.4002   3.6993   2.4111   33.537   4.6884   20.632   6.5944 12.90515 8.091216 
1 1 1    8    2   29 o   31.927   3.2110   8.3334   1.5870   10.299   2.1899   6.1597   2.3031   35.135   4.0454   26.262   5.7481 8.872465 7.028945 
1 1 1    8    2   30 o   20.486   4.5074   3.7002   1.4096   3.7681   1.7950   3.5909   2.2769   20.239   5.5062   19.560   6.4211 0.6789417 8.458653 
1 1 1    8    2   31 f   9.2770   4.5162  -3.0340   2.1078  -3.1701   2.9755  -2.8969   2.9862   11.450   5.5239   11.662   5.6028 -0.2124853 7.867935 
1 1 1    8    2   32 o   11.826   5.3336  -0.2485   2.0950  -0.4164   3.0427  -0.0971   2.8889   13.616   6.2510   13.658   6.2013 -0.4233742E-01 8.805206 
1 1 1    8    2   33 o   19.704   6.1424   4.2447   2.1039   1.3716   3.0089   6.9933   2.9430   14.705   6.5286   24.089   7.2185 -9.384123 9.732903 
1 1 1    8    3    0 o  225.838   1.9043  400.318   6.7479  400.318   6.7479  400.318   6.7479  225.838   1.9043  225.838   1.9043 0.000000 0.000000 
1 1 1    8    3    1 o  279.656   1.4568  613.726   6.3934  614.971   9.0533  612.487   9.0301  279.923   2.0609  279.358   2.0598 0.5660095 2.913778 
1 1 1    8    3    2 o  177.413   1.4728  247.000   4.1004  244.588   5.7754  249.452   5.8224  176.534   2.0847  178.280   2.0811 -1.746780 2.945688 
1 1 1    8    3    3 o   80.719   1.8453   51.134   2.3375   53.636   3.1661   48.137   3.4655   82.628   2.4443   78.257   2.8265 4.371475 3.736868 
1 1 1    8    3    4 o  419.949   1.8432  1384.04   12.147  1408.71   17.439  1360.79   16.929  423.635   2.6231  416.370   2.5909 7.265747 3.686924 
1 1 1    8    3    5 o  106.702   1.3418   89.343   2.2469   86.416   3.2475   92.031   3.1119  104.934   1.9721  108.290   1.8312 -3.356628 2.691170 
1 1 1    8    3    6 o  295.695   1.5035  686.136   6.9767  682.903   9.8318  689.414   9.9018  294.982   2.1239  296.385   2.1289 -1.402710 3.007158 
1 1 1    8    3    7 o  153.185   1.7122  184.146   4.1161  187.380   6.2107  181.614   5.4965  154.513   2.5614  152.121   2.3024 2.392181 3.444092 
1 1 1    8    3    8 o  227.768   1.3673  407.090   4.8873  408.445   6.9156  405.737   6.9077  228.139   1.9316  227.382   1.9358 0.7576141 2.734714 
1 1 1    8    3    9 o  516.714   2.2918  2095.31   18.584  2088.08   24.520  2105.06   28.487  515.791   3.0293  517.859   3.5053 -2.067810 4.632893 
1 1 1    8    3   10 o  405.309   1.8062  1289.11   11.489  1276.28   16.106  1302.41   16.392  403.267   2.5450  407.373   2.5641 -4.105713 3.612719 
1 1 1    8    3   11 o  248.450   1.7882  484.395   6.9721  495.303   9.9589  473.909   9.7642  251.219   2.5261  245.733   2.5320 5.485550 3.576631 
1 1 1    8    3   12 o  192.842   1.4293  291.821   4.3255  299.943   6.1515  283.878   6.0835  195.500   2.0051  190.192   2.0382 5.308136 2.859142 
1 1 1    8    3   13 o  209.667   1.4529  344.968   4.7805  338.273   6.6558  352.101   6.8706  207.613   2.0429  211.813   2.0670 -4.200409 2.906145 
1 1 1    8    3   14 o  220.244   1.5227  380.667   5.2631  388.227   7.2333  372.161   7.6723  222.408   2.0724  217.753   2.2452 4.655182 3.055465 
1 1 1    8    3   15 o  146.735   1.3956  168.972   3.2136  168.318   4.5392  169.629   4.5502  146.438   1.9752  147.008   1.9724 -0.5693512 2.791381 
1 1 1    8    3   16 o  114.780   1.3616  103.399   2.4526  100.905   3.4226  106.031   3.5162  113.374   1.9237  116.218   1.9280 -2.843910 2.723542 
1 1 1    8    3   17 o   78.011   1.5440   47.774   1.8902   48.991   2.6672   46.546   2.6790   78.951   2.1548   76.950   2.2208 2.000870 3.094384 
1 1 1    8    3   18 o  161.741   1.4355  205.374   3.6437  204.707   5.3173  205.965   5.0029  161.429   2.0990  161.935   1.9687 -0.5061493 2.877732 
1 1 1    8    3   19 o   79.100   1.7483   49.143   2.1702   49.951   3.0619   48.326   3.0763   79.672   2.4519   78.359   2.5049 1.313057 3.505169 
1 1 1    8    3   20 o  121.268   1.5330  115.502   2.9174  117.407   4.1335  113.611   4.1183  122.206   2.1554  120.211   2.1831 1.994659 3.067807 
1 1 1    8    3   21 o  113.879   1.5675  101.885   2.8013  104.780   3.9699   99.014   3.9534  115.416   2.1918  112.189   2.2455 3.227440 3.137905 
1 1 1    8    3   22 o  117.483   1.6678  108.487   3.0749  102.192   4.3671  114.676   4.3303  113.912   2.4430  120.697   2.2862 -6.785149 3.345854 
1 1 1    8    3   23 o   31.110   3.3892   7.7516   1.6279   8.7242   2.3530   6.8586   2.2546   32.739   4.7157   28.848   5.1701 3.890430 6.997730 
1 1 1    8    3   24 o   49.260   2.1219   19.165   1.6365   19.821   2.4037   18.597   2.2343   49.921   3.0833   48.377   2.9572 1.544697 4.272194 
1 1 1    8    3   25 o   66.812   1.7102   35.184   1.7916   35.893   2.5798   34.523   2.4901   67.325   2.4458   66.036   2.4069 1.289009 3.431492 
1 1 1    8    3   26 o   40.008   2.1852   12.694   1.3668   13.923   1.9961   11.608   1.8754   41.699   3.0719   38.028   3.1713 3.670414 4.415210 
1 1 1    8    3   27 o   43.357   1.9581   14.890   1.3288   13.077   1.9230   16.548   1.8384   40.347   3.0599   45.557   2.5820 -5.210186 4.003699 
1 1 1    8    3   28 o   19.689   5.8060   3.3697   1.9161   4.2428   2.5854   2.3056   2.8541   21.880   6.8072   18.255   7.0409 3.625671 9.793480 
1 1 1    8    3   29 o   18.037   5.3939   2.8608   1.6446   4.9575   2.2886   0.6219   2.3649   23.291   6.1656   14.326   6.0718 8.964572 8.653415 
1 1 1    8    3   30 o   20.832   4.7991   3.8806   1.5366   1.2221   2.1386   6.7172   2.2091   14.517   5.9297   27.221   5.3623 -12.70359 7.994743 
1 1 1    8    3   31 o   8.4180   3.9022  -0.8107   1.2276  -1.3668   1.6654  -0.1490   1.8166   9.3458   4.4009   11.357   5.0556 -2.010849 6.702788 
1 1 1    8    3   32 o   17.741   6.6147   3.1015   2.4682   6.7835   3.6252  -0.0803   3.3700   23.822   8.1073   14.437   6.6095 9.384984 10.46010 
1 1 1    8    3   33 o   11.155   5.2408  -0.9591   2.3381   1.1856   3.3881  -2.9090   3.2305   14.779   6.7125   11.453   5.5791 3.325837 8.728351 
1 1 1    8    4    0 o   40.025   3.0182   12.786   1.8704   12.786   1.8704   12.786   1.8704   40.025   3.0182   40.025   3.0182 -0.000000 0.000000 
1 1 1    8    4    1 o  116.021   1.2854  105.630   2.3403  102.786   3.2904  108.543   3.3293  114.443   1.8321  117.604   1.8040 -3.161507 2.571161 
1 1 1    8    4    2 o  178.840   1.2824  250.985   3.5991  252.051   5.0947  249.923   5.0852  179.212   1.8115  178.454   1.8158 0.7579193 2.564922 
1 1 1    8    4    3 o  215.493   1.3372  364.405   4.5219  367.991   6.4249  360.885   6.3654  216.540   1.8907  214.439   1.8915 2.101059 2.674442 
1 1 1    8    4    4 o  194.986   1.3547  298.349   4.1454  294.223   6.0183  302.074   5.7182  193.622   1.9807  196.191   1.8573 -2.568680 2.715227 
1 1 1    8    4    5 o   69.421   1.5711   37.820   1.7116   36.649   2.4116   39.007   2.4295   68.298   2.2532   70.465   2.1997 -2.166908 3.148913 
1 1 1    8    4    6 o  169.771   1.4948  226.176   3.9824  227.020   5.2149  224.995   6.1685  170.082   1.9538  169.316   2.3215 0.7660522 3.034278 
1 1 1    8    4    7 o   80.057   1.6585   50.295   2.0836   49.918   2.8449   50.731   3.0602   79.720   2.2764   80.362   2.4294 -0.6418610 3.329216 
1 1 1    8    4    8 o  301.629   1.5304  713.934   7.2442  717.694   10.271  710.212   10.219  302.411   2.1643  300.831   2.1646 1.580566 3.060939 
1 1 1    8    4    9 o  310.208   1.5572  755.120   7.5806  752.356   10.677  757.931   10.765  309.629   2.1973  310.774   2.2074 -1.144745 3.114542 
1 1 1    8    4   10 o  650.808   2.5856  3324.08   26.408  3313.37   37.214  3334.93   37.480  649.694   3.6499  651.803   3.6642 -2.108948 5.171865 
1 1 1    8    4   11 o   84.138   1.5434   55.552   2.0379   54.847   2.8456   56.295   2.9200   83.571   2.1716   84.667   2.1995 -1.096024 3.090889 
1 1 1    8    4   12 o  578.312   2.3470  2624.85   21.300  2617.26   30.023  2632.54   30.225  577.408   3.3133  579.091   3.3259 -1.682678 4.694656 
1 1 1    8    4   13 o  110.980   1.5071   96.653   2.6248   97.100   3.6829   96.192   3.7418  111.231   2.1099  110.709   2.1537 0.5219955 3.014974 
1 1 1    8    4   14 o  279.958   1.9018  615.124   8.3555  606.528   11.679  624.139   11.959  277.963   2.6773  281.968   2.7027 -4.005219 3.804285 
1 1 1    8    4   15 o  198.300   1.5579  308.616   4.8481  308.956   6.8047  308.266   6.9088  198.387   2.1857  198.164   2.2216 0.2232208 3.116560 
1 1 1    8    4   16 o  295.996   1.6903  687.744   7.8515  691.238   11.559  684.751   10.699  296.677   2.4826  295.299   2.3086 1.377716 3.390178 
1 1 1    8    4   17 o  105.925   1.4853   88.081   2.4690   93.355   3.4997   82.854   3.4838  109.028   2.0454  102.707   2.1615 6.320641 2.975859 
1 1 1    8    4   18 o   54.495   2.0262   23.360   1.7297   22.224   2.4204   24.546   2.4729   53.079   2.9170   55.798   2.8333 -2.719425 4.066519 
1 1 1    8    4   19 o   87.371   1.4882   59.944   2.0405   59.439   2.9022   60.437   2.8696   86.968   2.1265   87.698   2.0851 -0.7301102 2.978157 
1 1 1    8    4   20 o   39.831   2.4378   12.527   1.5165   14.069   2.1921   11.111   2.1002   42.112   3.3445   37.352   3.6285 4.759815 4.934781 
1 1 1    8    4   21 o   35.397   2.7135   9.9265   1.4958   7.9480   2.1885   11.661   2.0491   31.333   4.5867   38.278   3.4481 -6.944788 5.738194 
1 1 1    8    4   22 o   25.878   3.9108   5.4216   1.5387   4.2798   2.4236   6.1925   1.9915   22.753   6.4775   27.511   4.7865 -4.758497 8.054117 
1 1 1    8    4   23 o   49.724   2.4651   19.545   1.9176   17.224   3.2938   20.736   2.3585   46.230   4.6011   51.138   2.9514 -4.907848 5.466363 
1 1 1    8    4   24 o   14.266   5.4092   1.2145   1.6657   0.0159   2.4928   2.1815   2.2389   14.368   6.1656   17.581   6.3413 -3.212667 8.844588 
1 1 1    8    4   25 o   34.161   2.9182   9.3280   1.5494   8.6038   2.2993   9.9303   2.0970   32.335   4.6662   35.015   3.8814 -2.680809 6.069506 
1 1 1    8    4   26 o   32.742   2.7190   8.5719   1.3845   10.908   2.0142   6.4795   1.9063   36.744   3.5367   27.952   4.4984 8.791880 5.722196 
1 1 1    8    4   27 o   32.220   2.5802   8.3047   1.2937   7.8432   1.8795   8.7202   1.7835   30.906   3.9666   32.758   3.5247 -1.852205 5.306344 
1 1 1    8    4   28 o   14.167   5.3826   1.3101   1.6514  -2.4560   2.2892   5.3960   2.3844   10.667   5.0636   24.620   6.1814 -13.95259 7.990608 
1 1 1    8    4   29 f   26.098   4.2361   5.7918   1.6755   5.9198   2.3832   5.6668   2.3560   25.461   6.0537   24.885   6.0846 0.5765438 8.583069 
1 1 1    8    4   30 o   23.221   5.0897   4.8788   1.8034   6.8429   2.5690   2.9708   2.5322   26.804   6.2267   18.202   6.7160 8.601782 9.158409 
1 1 1    8    4   31 o   28.016   3.5268   6.6728   1.5163   6.9657   2.1346   6.3746   2.1542   27.530   5.1296   26.070   5.4416 1.459890 7.478225 
1 1 1    8    4   32 o   12.891   4.8043   1.3357   1.3018   2.0384   1.8238   0.6059   1.8587   15.183   5.6810   12.453   5.3336 2.729732 7.792335 
1 1 1    8    4   33 o   14.552   5.8846   1.9675   2.0815   3.6439   2.9890   0.3892   2.9003   17.457   7.0544   13.355   6.1209 4.101568 9.339713 
1 1 1    8    5    0 o  338.020   2.2860  896.774   12.125  896.774   12.125  896.774   12.125  338.020   2.2860  338.020   2.2860 -0.000000 0.000000 
1 1 1    8    5    1 o  149.893   1.2852  176.311   3.0231  173.540   4.2576  179.129   4.2932  148.704   1.8245  151.080   1.8108 -2.376053 2.570532 
1 1 1    8    5    2 o   58.053   1.7335   26.472   1.5775   28.049   2.2687   24.995   2.1950   59.731   2.4254   56.376   2.4872 3.354553 3.473969 
1 1 1    8    5    3 o  113.760   1.3265  101.553   2.3680   98.374   3.3099  104.886   3.3893  111.960   1.8838  115.606   1.8682 -3.646011 2.653123 
1 1 1    8    5    4 o  186.239   1.3212  272.180   3.8613  267.042   5.4127  277.505   5.5100  184.465   1.8698  188.044   1.8672 -3.579147 2.642421 
1 1 1    8    5    5 o  282.351   1.4864  625.604   6.5861  617.149   9.2258  634.390   9.4050  280.423   2.0964  284.313   2.1079 -3.889801 2.972955 
1 1 1    8    5    6 o   87.015   1.4876   59.416   2.0314   57.084   2.8387   61.864   2.9082   85.286   2.1210   88.786   2.0872 -3.499428 2.975729 
1 1 1    8    5    7 o  742.903   2.9010  4331.80   33.821  4266.95   47.047  4401.14   48.653  737.218   4.0666  748.712   4.1408 -11.49438 5.803745 
1 1 1    8    5    8 o  273.836   1.5301  588.422   6.5755  598.140   9.0929  577.769   9.5202  276.079   2.0988  271.334   2.2358 4.744446 3.066527 
1 1 1    8    5    9 o  182.084   1.3971  260.164   3.9922  254.695   5.3876  266.822   5.9452  180.156   1.9057  184.393   2.0545 -4.237350 2.802252 
1 1 1    8    5   10 o  124.142   1.5805  120.935   3.0791  116.023   4.7034  124.618   4.0732  121.588   2.4650  126.015   2.0597 -4.427002 3.212265 
1 1 1    8    5   11 o  281.844   1.5993  623.356   7.0735  625.005   9.9903  621.699   10.017  282.203   2.2558  281.456   2.2678 0.7477112 3.198704 
1 1 1    8    5   12 o  287.825   1.6138  650.108   7.2891  641.328   10.199  659.276   10.422  285.858   2.2734  289.830   2.2913 -3.971893 3.227809 
1 1 1    8    5   13 o  195.734   1.4501  300.648   4.4543  299.129   6.2717  302.195   6.3274  195.229   2.0471  196.227   2.0548 -0.9978333 2.900451 
1 1 1    8    5   14 o  292.730   1.6291  672.502   7.4839  672.595   10.553  672.409   10.615  292.723   2.2973  292.681   2.3111 0.4119873E-01 3.258608 
1 1 1    8    5   15 o  303.213   1.6682  721.608   7.9377  725.995   11.230  717.228   11.221  304.089   2.3533  302.246   2.3657 1.842590 3.336871 
1 1 1    8    5   16 o  277.971   1.6035  606.537   6.9947  602.989   9.8089  610.209   9.9774  277.099   2.2557  278.751   2.2808 -1.651489 3.207843 
1 1 1    8    5   17 o   51.568   2.2282   20.928   1.7989   20.171   2.4932   21.751   2.5983   50.546   3.1589   52.495   3.1687 -1.949169 4.474297 
1 1 1    8    5   18 o  104.587   1.4355   85.879   2.3561   86.627   3.3388   85.138   3.3253  105.010   2.0261  104.103   2.0354 0.9073486 2.871942 
1 1 1    8    5   19 o   70.286   1.6862   38.802   1.8599   40.841   2.6757   36.897   2.5871   72.033   2.3702   68.459   2.4119 3.573799 3.381615 
1 1 1    8    5   20 o   18.635   4.9080   2.8537   1.4549   3.3541   2.1621   2.4395   1.9668   20.430   6.2014   17.950   5.9709 2.480103 8.608624 
1 1 1    8    5   21 o   75.501   1.6528   44.796   1.9583   48.084   2.8635   41.907   2.6841   78.129   2.3381   72.932   2.3482 5.196991 3.313707 
1 1 1    8    5   22 o   43.295   2.5181   14.820   1.7035   12.951   2.6810   16.085   2.2060   40.152   4.3228   45.020   3.1422 -4.868263 5.344171 
1 1 1    8    5   23 o   15.531   5.3613   1.7747   1.5868   0.7427   2.3520   2.6368   2.1497   15.163   6.2090   18.535   6.2436 -3.371735 8.805345 
1 1 1    8    5   24 o   14.407   5.2416   1.4044   1.5340   1.6513   2.3048   1.2081   2.0554   16.606   6.3470   15.189   5.9423 1.417760 8.694548 
1 1 1    8    5   25 o   55.600   1.9080   24.411   1.6623   26.843   2.3932   22.143   2.3107   58.145   2.6296   52.756   2.8011 5.389099 3.841955 
1 1 1    8    5   26 o   44.908   2.2665   16.004   1.5921   16.051   2.3825   15.966   2.1401   44.656   3.4258   44.646   3.0733 0.1031113E-01 4.602373 
1 1 1    8    5   27 o   42.282   2.3103   14.224   1.5271   11.275   2.2191   16.876   2.1048   37.156   3.8621   45.878   2.9389 -8.722614 4.853159 
1 1 1    8    5   28 o   12.312   5.3539  -0.0544   1.9296   4.4349   2.8113  -4.0537   2.6534   22.230   7.1223   10.512   5.1059 11.71787 8.763457 
1 1 1    8    5   29 o   10.197   4.6509  -0.7848   1.6481  -1.1495   2.3634  -0.4396   2.2995   11.968   5.4999   12.617   5.6475 -0.6492796 7.883041 
1 1 1    8    5   30 o   20.965   5.1134   4.0165   1.6670   5.9934   2.3745   2.0950   2.3409   25.052   6.0980   16.297   6.3515 8.754606 8.804985 
1 1 1    8    5   31 o   9.6422   4.4349  -0.7505   1.5413  -0.0142   2.2009  -1.4592   2.1593   12.469   5.5569   10.724   5.0378 1.744946 7.500538 
1 1 1    8    5   32 o   12.175   5.1437   0.6869   1.6883   3.0845   2.4367  -1.5265   2.3413   17.548   6.5664   10.980   5.1850 6.567885 8.366691 
1 1 1    8    5   33 o   18.145   4.8459   3.2858   1.4059   3.2461   1.9555   3.3282   2.0227   17.147   5.9501   17.272   6.0477 -0.1252098 8.484042 
1 1 1    8    6    0 f  483.025   2.8966  1831.28   21.955  1831.28   21.955  1831.28   21.955  483.025   2.8966  483.025   2.8966 -0.000000 0.000000 
1 1 1    8    6    1 o  388.991   1.7666  1187.47   10.784  1196.89   15.344  1178.28   15.159  390.500   2.5039  387.452   2.4931 3.047302 3.533426 
1 1 1    8    6    2 o  175.021   1.3230  240.378   3.6339  245.710   5.1829  235.223   5.0963  176.944   1.8665  173.127   1.8758 3.817276 2.646209 
1 1 1    8    6    3 o  173.919   1.5402  237.366   4.2038  238.313   5.8990  236.389   5.9921  174.256   2.1572  173.550   2.2001 0.7057648 3.081226 
1 1 1    8    6    4 o  234.533   1.4007  431.641   5.1554  432.250   7.2974  431.035   7.2843  234.688   1.9814  234.359   1.9806 0.3297882 2.801576 
1 1 1    8    6    5 o  182.169   1.3372  260.410   3.8229  260.096   5.3999  260.725   5.4129  182.053   1.8901  182.273   1.8923 -0.2197876 2.674571 
1 1 1    8    6    6 o  191.010   1.3968  286.298   4.1870  284.676   6.0949  287.748   5.7617  190.460   2.0392  191.487   1.9174 -1.026627 2.799031 
1 1 1    8    6    7 o  492.131   2.3090  1900.70   17.832  1926.73   26.543  1879.28   24.075  495.440   3.4139  489.315   3.1352 6.125275 4.635092 
1 1 1    8    6    8 o  659.260   2.8033  3411.10   29.003  3414.11   41.050  3408.10   40.982  659.472   3.9665  658.892   3.9635 0.5802002 5.607323 
1 1 1    8    6    9 o  499.895   2.2519  1961.11   17.666  1928.16   24.604  1996.19   25.380  495.639   3.1633  504.305   3.2070 -8.665649 4.504585 
1 1 1    8    6   10 o  506.436   2.3558  2012.84   18.723  2017.51   27.600  2008.86   25.483  506.967   3.4692  505.894   3.2098 1.073059 4.726334 
1 1 1    8    6   11 o  446.079   2.0764  1561.63   14.536  1549.22   22.002  1571.24   19.363  444.250   3.1560  447.419   2.7577 -3.169495 4.191048 
1 1 1    8    6   12 o  260.491   1.5234  532.489   6.2273  538.903   9.2061  527.079   8.4553  262.039   2.2387  259.152   2.0791 2.886505 3.055230 
1 1 1    8    6   13 f   84.056   1.7835   55.449   2.3526   51.215   3.3195   59.722   3.3348   80.731   2.6236   87.193   2.4395 -6.461960 3.582502 
1 1 1    8    6   14 o  278.469   1.5076  608.575   6.5883  605.008   9.2926  612.180   9.3421  277.625   2.1329  279.266   2.1317 -1.640656 3.015507 
1 1 1    8    6   15 o  114.814   1.4385  103.462   2.5918  103.673   3.6817  103.255   3.6492  114.916   2.0415  114.685   2.0276 0.2314606 2.877347 
1 1 1    8    6   16 o   64.392   1.8864   32.584   1.9041   32.848   2.7381   32.337   2.6498   64.600   2.7068   64.100   2.6399 0.5009079 3.780983 
1 1 1    8    6   17 o   63.120   1.8889   31.317   1.8689   30.096   2.6440   32.537   2.6421   61.815   2.7323   64.286   2.6244 -2.471245 3.788547 
1 1 1    8    6   18 o   57.648   2.3651   26.165   2.1351   24.158   2.7422   29.254   3.4024   55.311   3.1726   60.835   3.5797 -5.524445 4.783278 
1 1 1    8    6   19 o  184.647   1.6021  267.792   4.6424  267.735   6.5174  267.850   6.6143  184.538   2.2505  184.572   2.2836 -0.3424072E-01 3.206168 
1 1 1    8    6   20 o   29.696   3.6329   7.0653   1.6578   7.9068   2.3643   6.2515   2.3251   31.180   5.0009   27.542   5.5711 3.637693 7.486434 
1 1 1    8    6   21 o  159.299   1.4715  199.367   3.6786  195.333   5.1592  203.539   5.2466  157.579   2.0863  160.857   2.0784 -3.277267 2.944888 
1 1 1    8    6   22 f  107.379   1.6631   90.653   2.8025   95.885   4.0897   86.021   3.8481  110.321   2.3622  104.496   2.3466 5.825562 3.329693 
1 1 1    8    6   23 o   29.259   3.7569   6.9133   1.6853   6.0539   2.3860   7.7690   2.3807   26.862   5.8278   30.707   5.1206 -3.844374 7.757857 
1 1 1    8    6   24 o   14.685   5.3377   1.4719   1.5902   1.3314   2.4027   1.5814   2.1214   16.197   6.3979   16.064   6.1014 0.1324844 8.840797 
1 1 1    8    6   25 o   67.304   1.9943   35.786   2.1040   36.066   2.8887   35.470   3.0707   67.366   2.7382   66.742   2.9390 0.6237869 4.016901 
1 1 1    8    6   26 o   33.684   3.1580   9.1377   1.6499   6.9313   2.6216   10.585   2.1230   28.320   6.0807   36.075   3.8074 -7.755497 7.174329 
1 1 1    8    6   27 o   21.947   4.1548   4.0365   1.3786   2.4451   2.0111   5.4470   1.8934   17.497   6.0360   25.304   4.9454 -7.807180 7.803186 
1 1 1    8    6   28 o   16.388   4.5544   2.2979   1.2133   1.9246   1.7883   2.6163   1.6515   15.806   5.6715   17.477   5.4412 -1.671047 7.859558 
1 1 1    8    6   29 o   24.733   4.8683   5.3819   1.8223   6.6923   2.6053   4.1268   2.5497   26.761   6.3075   20.933   6.7898 5.828114 9.267487 
1 1 1    8    6   30 o   18.135   6.0013   3.0854   1.9876   4.9707   2.8599   1.3239   2.7643   22.016   7.1944   15.552   6.5767 6.463379 9.747393 
1 1 1    8    6   31 o   18.654   5.4141   3.3191   1.6777  -0.7707   2.4085   7.1741   2.3383   12.038   5.5395   27.455   5.6168 -15.41627 7.888900 
1 1 1    8    6   32 o   8.2808   3.9951  -1.9092   1.5565  -0.2960   2.2116  -3.4927   2.1911   11.875   5.4051   9.0237   4.4368 2.851242 6.992838 
1 1 1    8    6   33 o   13.852   5.1900   1.8666   1.5232   1.8835   2.1587   1.8498   2.1496   14.224   5.8986   14.161   5.8806 0.6252193E-01 8.329214 
1 1 1    8    7    0 o   99.613   2.0673   77.968   3.2286   77.968   3.2286   77.968   3.2286   99.613   2.0673   99.613   2.0673 -0.000000 0.000000 
1 1 1    8    7    1 o  269.711   1.4796  570.844   6.2624  565.344   8.8091  576.464   8.9046  268.396   2.0914  271.022   2.0936 -2.626648 2.959300 
1 1 1    8    7    2 o  244.559   1.4346  469.335   5.5060  471.522   7.8161  467.181   7.7575  245.117   2.0319  243.986   2.0260 1.130768 2.869425 
1 1 1    8    7    3 o  114.178   1.5089  102.301   2.7036  100.599   3.8084  104.031   3.8387  113.218   2.1435  115.134   2.1246 -1.915680 3.018005 
1 1 1    8    7    4 o  178.720   1.4557  250.644   4.0827  253.006   5.7804  248.293   5.7672  179.553   2.0515  177.872   2.0661 1.680115 2.911561 
1 1 1    8    7    5 o  364.038   1.8287  1039.97   10.447  1030.48   14.666  1049.74   14.886  362.353   2.5791  365.722   2.5937 -3.369385 3.657727 
1 1 1    8    7    6 o  148.936   1.4848  174.064   3.4703  175.019   4.8970  173.101   4.9185  149.339   2.0896  148.518   2.1103 0.8206329 2.969776 
1 1 1    8    7    7 o  261.308   1.6517  535.818   6.7729  528.634   9.1713  544.436   10.045  259.541   2.2517  263.388   2.4302 -3.847321 3.313055 
1 1 1    8    7    8 o  388.178   1.9070  1182.46   11.617  1196.96   16.570  1168.44   16.292  390.529   2.7037  385.849   2.6905 4.679596 3.814280 
1 1 1    8    7    9 o  341.641   1.7771  915.930   9.5277  923.461   13.541  908.545   13.408  343.025   2.5155  340.243   2.5112 2.781494 3.554401 
1 1 1    8    7   10 o  308.156   1.6874  745.187   8.1599  748.673   11.564  741.731   11.515  308.858   2.3859  307.423   2.3869 1.435394 3.374895 
1 1 1    8    7   11 o  367.918   1.8473  1062.30   10.666  1059.86   15.050  1064.76   15.118  367.467   2.6099  368.315   2.6155 -0.8481140 3.694920 
1 1 1    8    7   12 o  385.177   1.8979  1164.33   11.472  1164.89   16.212  1163.78   16.237  385.233   2.6816  385.049   2.6871 0.1844482 3.796242 
1 1 1    8    7   13 o  216.305   1.5173  367.181   5.1505  366.088   7.2516  368.295   7.3166  215.965   2.1397  216.615   2.1523 -0.6496277 3.034913 
1 1 1    8    7   14 o  196.175   1.4876  302.039   4.5798  300.565   6.4422  303.545   6.5119  195.674   2.0979  196.642   2.1102 -0.9671631 2.975625 
1 1 1    8    7   15 o  184.679   1.4816  267.704   4.2941  260.343   5.9875  275.500   6.1616  182.092   2.0953  187.317   2.0961 -5.225540 2.963780 
1 1 1    8    7   16 o   66.207   1.9913   34.455   2.0666   33.541   2.9257   35.364   2.9194   65.260   2.8638   67.021   2.7818 -1.760780 3.992449 
1 1 1    8    7   17 o  111.975   1.5523   98.447   2.7277  103.735   3.9039   93.403   3.8129  114.907   2.1649  109.031   2.2284 5.876434 3.106901 
1 1 1    8    7   18 o  122.298   1.5217  117.451   2.9206  116.678   4.1142  118.237   4.1466  121.847   2.1516  122.658   2.1542 -0.8109818 3.044669 
1 1 1    8    7   19 o   18.455   5.4071   2.7535   1.6664   1.5905   2.3928   3.8488   2.3221   16.920   6.4669   21.764   6.3845 -4.843946 9.087502 
1 1 1    8    7   20 f   88.465   1.8802   61.520   2.6102   61.543   3.6414   61.496   3.7436   88.366   2.6288   88.321   2.7042 0.4493713E-01 3.771360 
1 1 1    8    7   21 o   89.078   2.0274   62.421   2.8341   65.261   3.7490   58.633   4.3293   90.965   2.6290   86.109   3.2094 4.856216 4.148681 
1 1 1    8    7   22 o   96.672   1.6650   73.490   2.5259   74.956   3.6666   72.165   3.4845   97.518   2.3959   95.698   2.3202 1.819778 3.335270 
1 1 1    8    7   23 o   50.498   2.4919   20.184   1.9687   19.627   2.8794   20.673   2.6978   49.529   3.7320   50.921   3.3954 -1.392891 5.045441 
1 1 1    8    7   24 o   64.219   2.2426   32.610   2.2566   36.410   3.3096   29.308   3.0848   67.622   3.1272   60.617   3.2548 7.004559 4.513639 
1 1 1    8    7   25 o   41.654   2.8976   13.859   1.8823   13.966   2.6701   13.754   2.6539   41.431   4.1631   41.110   4.1712 0.3207321 5.893233 
1 1 1    8    7   26 o   26.923   4.9416   6.1137   2.0110   7.6476   2.9215   4.7325   2.7722   29.568   6.4759   23.247   7.0148 6.320936 9.547009 
1 1 1    8    7   27 o   18.291   5.2079   2.8695   1.5665   2.4047   2.2800   3.2851   2.1560   17.690   6.3967   19.578   6.2335 -1.888214 8.931651 
1 1 1    8    7   28 o   19.255   4.9057   3.2317   1.4863   3.4749   2.1967   3.0264   2.0186   19.805   6.2904   18.656   6.0406 1.149942 8.721078 
1 1 1    8    7   29 f   16.837   4.7309   2.5099   1.3015   2.0519   2.1612   2.7706   1.6302   16.206   6.1576   17.565   5.3953 -1.358774 8.186927 
1 1 1    8    7   30 o   22.439   5.6147   4.7702   1.9722   5.0561   2.8231   4.4977   2.7562   22.076   7.1432   20.962   7.0697 1.114468 10.05017 
1 1 1    8    7   31 o   15.237   5.7546   1.9937   1.8809   2.4715   2.6911   1.5373   2.6298   16.821   6.7296   15.308   6.4409 1.512860 9.315204 
1 1 1    8    7   32 o   9.1133   4.3994  -2.1283   1.8943  -1.8737   2.8609  -2.3271   2.5278   11.663   5.5712   10.609   5.1115 1.054400 7.560794 
1 1 1    8    7   33 o   12.203   5.2485   0.9523   1.8141   2.6936   2.3810  -1.4575   2.8010   15.512   6.2861   11.315   5.4333 4.196854 8.308805 
1 1 1    8    8    0 o  350.012   3.8543  961.889   21.165  961.889   21.165  961.889   21.165  350.012   3.8543  350.012   3.8543 -0.000000 0.000000 
1 1 1    8    8    1 o  319.214   2.2680  799.701   11.361  812.504   16.280  787.546   15.863  321.727   3.2244  316.749   3.1912 4.978546 4.536602 
1 1 1    8    8    2 o  237.851   2.0315  443.968   7.5828  443.215   10.739  444.717   10.709  237.630   2.8797  238.033   2.8667 -0.4027252 4.063356 
1 1 1    8    8    3 o  319.582   1.8570  801.486   9.3135  807.360   13.250  795.749   13.094  320.732   2.6325  318.417   2.6203 2.314331 3.714359 
1 1 1    8    8    4 o  122.745   2.0476  118.235   3.9441  110.537   6.1991  123.471   5.1124  118.621   3.3334  125.428   2.5973 -6.806725 4.225825 
1 1 1    8    8    5 o  429.143   2.1984  1445.26   14.805  1421.13   20.655  1470.77   21.231  425.512   3.0932  432.878   3.1254 -7.366119 4.397280 
1 1 1    8    8    6 o  448.931   2.2680  1581.63   15.979  1594.65   22.780  1569.01   22.418  450.739   3.2205  447.102   3.1952 3.636292 4.536594 
1 1 1    8    8    7 o  233.482   1.6776  427.780   6.1469  427.309   8.7160  428.247   8.6702  233.343   2.3802  233.599   2.3651 -0.2564392 3.355458 
1 1 1    8    8    8 o  301.228   1.8944  712.066   8.9550  727.266   15.013  703.672   11.157  304.395   3.1429  299.438   2.3743 4.957184 3.938922 
1 1 1    8    8    9 o   97.621   1.7410   74.784   2.6671   72.689   3.8387   76.739   3.7083   96.204   2.5449   98.883   2.3897 -2.679703 3.491019 
1 1 1    8    8   10 o  133.564   1.5574  139.993   3.2643  142.584   4.7514  137.677   4.4922  134.786   2.2463  132.448   2.1613 2.338181 3.117218 
1 1 1    8    8   11 o  232.554   1.5589  424.398   5.6890  422.249   8.1092  426.482   7.9834  231.950   2.2278  233.111   2.1823 -1.160721 3.118582 
1 1 1    8    8   12 o  544.286   2.4179  2325.36   20.653  2307.91   29.094  2343.08   29.322  542.141   3.4197  546.255   3.4206 -4.114380 4.836754 
1 1 1    8    8   13 o  297.748   1.6842  695.796   7.8693  685.498   11.139  706.056   11.119  295.499   2.4021  299.900   2.3625 -4.400665 3.369188 
1 1 1    8    8   14 o  142.110   1.5128  158.508   3.3738  155.450   4.8431  161.392   4.7025  140.710   2.1933  143.378   2.0900 -2.667816 3.029605 
1 1 1    8    8   15 o  100.029   1.6633   78.550   2.6110   78.144   3.8267   78.904   3.5715   99.740   2.4448  100.231   2.2706 -0.4913483 3.336600 
1 1 1    8    8   16 o   70.137   1.9421   38.663   2.1355   39.151   3.1323   38.239   2.9190   70.512   2.8365   69.698   2.6737 0.8135605 3.898031 
1 1 1    8    8   17 o  131.290   1.5895  135.354   3.2749  132.509   4.8882  137.671   4.4111  129.840   2.3990  132.370   2.1235 -2.529602 3.203857 
1 1 1    8    8   18 o   63.555   2.2380   31.793   2.2287   33.650   3.3325   30.290   2.9976   65.276   3.2636   61.944   3.0935 3.331821 4.496729 
1 1 1    8    8   19 o   64.824   2.2049   33.085   2.2398   27.686   3.3014   37.690   3.0488   59.119   3.5751   69.122   2.8165 -10.00322 4.551311 
1 1 1    8    8   20 o   93.787   1.8306   69.148   2.6943   72.226   4.0325   66.665   3.6212   95.712   2.6874   91.979   2.5111 3.733574 3.678046 
1 1 1    8    8   21 o  187.131   2.0651  275.557   6.0645  276.245   8.8819  274.957   8.3006  187.058   3.0257  186.691   2.8332 0.3662872 4.145085 
1 1 1    8    8   22 o   81.216   2.0548   51.979   2.6168   52.780   3.6528   51.135   3.7504   81.677   2.8542   80.364   2.9790 1.313400 4.125649 
1 1 1    8    8   23 o   34.375   3.5608   9.4990   1.8931   9.5719   2.6561   9.4238   2.6989   34.086   5.1239   33.773   5.2637 0.3126411 7.345815 
1 1 1    8    8   24 o   33.598   3.5925   9.1131   1.8648   7.8598   2.7335   10.204   2.5504   30.452   5.9333   35.232   4.7324 -4.780325 7.589441 
1 1 1    8    8   25 o   13.752   5.2552   1.1346   1.5799   1.2481   2.2548   1.0251   2.2144   15.572   6.1830   15.077   6.0794 0.4942617 8.671116 
1 1 1    8    8   26 o   47.082   2.3766   17.635   1.7503   17.816   2.5378   17.470   2.4171   46.967   3.4677   46.557   3.3304 0.4100189 4.807941 
1 1 1    8    8   27 o   15.897   5.2360   2.0699   1.5135  -0.0539   2.2070   3.9557   2.0797   13.133   5.7181   21.186   5.9899 -8.052837 8.281030 
1 1 1    8    8   28 o   20.804   4.8477   3.7901   1.5532   3.7747   2.2734   3.8036   2.1271   20.395   6.3890   20.485   6.1363 -0.9012032E-01 8.858552 
1 1 1    8    8   29 o   23.903   3.9811   4.9039   1.4409   5.4582   2.1077   4.4176   1.9743   24.291   5.6380   21.771   5.7092 2.519669 8.023851 
1 1 1    8    8   30 o   16.945   6.0927   2.6436   2.0649   2.3932   2.9270   2.8916   2.9135   17.106   6.9558   17.879   7.0506 -0.7729511 9.904222 
1 1 1    8    8   31 o   20.857   5.7443   4.2900   1.9398   5.1308   2.6443   3.3105   2.8542   21.873   6.8959   18.190   7.0343 3.682674 9.850668 
1 1 1    8    8   32 o   10.754   4.8482  -0.0963   1.7290  -0.6545   2.4930   0.4211   2.4000   11.808   5.5031   12.797   5.7456 -0.9896240 7.955890 
1 1 1    8    9    0 o  235.245   2.0662  434.358   7.6266  434.358   7.6266  434.358   7.6266  235.245   2.0662  235.245   2.0662 -0.000000 0.000000 
1 1 1    8    9    1 o  272.403   1.5268  582.282   6.5268  576.186   9.1728  588.534   9.2888  270.962   2.1572  273.851   2.1614 -2.888123 3.053708 
1 1 1    8    9    2 o  364.578   1.7391  1043.04   9.9498  1034.59   13.980  1051.71   14.164  363.080   2.4535  366.073   2.4656 -2.992584 3.478345 
1 1 1    8    9    3 o  218.051   1.9910  373.118   6.8128  363.366   8.9700  386.413   10.473  215.172   2.6565  221.883   3.0078 -6.711700 4.012934 
1 1 1    8    9    4 o  425.112   2.0420  1418.21   13.623  1422.80   19.326  1413.67   19.206  425.772   2.8924  424.405   2.8837 1.367859 4.084284 
1 1 1    8    9    5 o  400.787   1.9714  1260.54   12.399  1263.25   17.600  1257.86   17.472  401.194   2.7954  400.338   2.7810 0.8561707 3.943145 
1 1 1    8    9    6 o  402.415   2.0588  1270.82   13.001  1273.22   17.745  1268.04   19.104  402.771   2.8074  401.944   3.0287 0.8275146 4.129688 
1 1 1    8    9    7 o  406.724   1.9910  1298.18   12.708  1287.26   17.880  1309.34   18.065  404.982   2.8134  408.441   2.8184 -3.458679 3.982287 
1 1 1    8    9    8 o  142.051   1.7159  158.348   3.8251  160.436   5.3933  156.235   5.4260  142.977   2.4037  141.092   2.4506 1.884811 3.432653 
1 1 1    8    9    9 o  450.008   1.9824  1589.26   14.000  1563.85   19.539  1616.07   20.069  446.357   2.7894  453.746   2.8184 -7.389221 3.965389 
1 1 1    8    9   10 o  327.919   1.7038  843.862   8.7679  842.673   12.827  844.905   12.012  327.662   2.4946  328.102   2.3330 -0.4398804 3.415521 
1 1 1    8    9   11 o  115.810   1.5630  105.252   2.8406  101.369   4.0179  109.132   4.0166  113.645   2.2529  117.918   2.1706 -4.272919 3.128395 
1 1 1    8    9   12 o  268.567   1.5378  566.060   6.4811  574.026   9.2993  558.536   9.0376  270.424   2.1913  266.752   2.1589 3.672302 3.076137 
1 1 1    8    9   13 f  171.877   1.5434  231.860   4.1630  232.243   5.9572  231.495   5.8199  171.995   2.2071  171.720   2.1597 0.2753754 3.087953 
1 1 1    8    9   14 o   73.801   2.0228   42.797   2.3405   38.074   3.3634   47.232   3.2590   69.537   3.0899   77.494   2.6839 -7.956879 4.092784 
1 1 1    8    9   15 o  109.502   1.7644   94.151   3.0320   91.966   4.3342   96.245   4.2430  108.183   2.5530  110.678   2.4429 -2.494987 3.533467 
1 1 1    8    9   16 o  103.821   1.6813   84.642   2.7393   82.820   3.9928   86.262   3.7652  102.651   2.4786  104.775   2.2899 -2.124039 3.374510 
1 1 1    8    9   17 o   62.443   2.0742   30.672   2.0297   30.442   2.9222   30.886   2.8214   62.121   3.0065   62.587   2.8803 -0.4659958 4.163569 
1 1 1    8    9   18 o   57.056   2.2050   25.633   1.9706   24.226   2.8173   26.981   2.7574   55.348   3.2580   58.452   3.0163 -3.103878 4.439871 
1 1 1    8    9   19 o   56.299   2.2641   24.975   1.9963   22.476   2.8678   27.324   2.7806   53.250   3.4504   58.798   3.0236 -5.547863 4.587773 
1 1 1    8    9   20 o   83.618   1.7925   54.969   2.3522   56.070   3.3898   53.947   3.2666   84.327   2.5645   82.720   2.5193 1.606163 3.594980 
1 1 1    8    9   21 o   58.396   2.3997   26.917   2.1944   28.318   3.5065   26.016   2.8135   59.643   3.7655   57.286   3.1416 2.357616 4.903972 
1 1 1    8    9   22 o   62.321   2.0785   30.636   2.0299   30.055   2.9701   31.145   2.7808   61.533   3.0856   62.697   2.8336 -1.163975 4.189342 
1 1 1    8    9   23 o   60.958   2.0606   29.342   1.9684   27.426   2.8374   31.120   2.7330   58.699   3.0912   62.617   2.7882 -3.918442 4.162898 
1 1 1    8    9   24 o   45.522   3.0220   16.553   2.1466   13.745   2.9155   19.877   3.1721   40.967   4.6152   49.544   4.1171 -8.576721 6.184711 
1 1 1    8    9   25 o   41.690   3.5055   14.030   2.2722   17.948   3.2684   10.365   3.1611   46.787   4.5072   34.832   5.9994 11.95476 7.503822 
1 1 1    8    9   26 o   18.029   5.3840   2.7606   1.6394   5.4473   2.3620   0.2632   2.2772   24.909   6.0933   13.865   5.9201 11.04409 8.495636 
1 1 1    8    9   27 o   13.127   5.2416   0.8813   1.6294   0.0700   2.3681   1.6106   2.2453   13.687   5.9418   15.921   6.2160 -2.233939 8.599045 
1 1 1    8    9   28 o   24.729   4.4290   5.2722   1.6557   3.4327   2.4233   6.8826   2.2674   19.472   6.6284   27.791   5.3936 -8.318481 8.545599 
1 1 1    8    9   29 o   20.510   5.5716   3.9387   1.8395   2.9288   2.6278   4.9089   2.5758   18.070   6.8069   22.194   6.7752 -4.123932 9.604041 
1 1 1    8    9   30 o   20.691   4.3864   3.8466   1.3800   2.6973   2.0226   4.8476   1.8876   16.964   6.0379   22.616   5.3944 -5.652332 8.096631 
1 1 1    8    9   31 o   12.495   5.4611   0.4274   2.0294  -1.6807   2.8743   2.5228   2.8657   12.050   5.7067   16.758   6.8568 -4.707376 8.920866 
1 1 1    8    9   32 o   27.565   4.9725   7.4638   2.0719   7.9264   2.9646   7.0221   2.8968   25.467   7.1346   23.740   7.1723 1.727089 10.11648 
1 1 1    8   10    0 o  260.557   2.1588  532.850   8.8258  532.850   8.8258  532.850   8.8258  260.557   2.1588  260.557   2.1588 0.000000 0.000000 
1 1 1    8   10    1 o  229.795   1.9091  414.389   6.8844  427.864   11.068  405.886   8.7921  233.482   3.0208  227.417   2.4636 6.064865 3.897986 
1 1 1    8   10    2 o  522.650   2.2068  2143.70   18.100  2163.79   25.825  2124.31   25.375  525.053   3.1342  520.242   3.1081 4.811707 4.414006 
1 1 1    8   10    3 o  544.254   2.2776  2324.61   19.453  2297.31   27.203  2353.17   27.828  541.006   3.2042  547.542   3.2386 -6.536072 4.555769 
1 1 1    8   10    4 o  484.845   2.0943  1844.78   15.935  1851.16   22.601  1838.47   22.470  485.649   2.9655  483.982   2.9584 1.666931 4.188855 
1 1 1    8   10    5 o  221.559   1.7674  385.212   6.1451  390.873   9.6468  381.347   7.9717  223.165   2.7545  220.436   2.3044 2.727997 3.591363 
1 1 1    8   10    6 o  139.714   1.7432  153.181   3.8221  156.040   5.2443  149.943   5.5821  141.005   2.3700  138.221   2.5735 2.784622 3.498514 
1 1 1    8   10    7 o  269.721   1.5634  570.884   6.6175  565.331   9.3431  576.474   9.3742  268.392   2.2183  271.025   2.2040 -2.632568 3.127048 
1 1 1    8   10    8 o  122.513   2.0050  117.794   3.8548  117.771   4.7348  117.840   6.6385  122.495   2.4630  122.466   3.4577 0.2945709E-01 4.245258 
1 1 1    8   10    9 o  414.393   2.1908  1347.73   14.247  1383.98   20.685  1315.01   19.651  419.878   3.1392  409.286   3.0595 10.59140 4.383465 
1 1 1    8   10   10 o  355.776   2.0080  993.414   11.211  990.311   15.907  996.476   15.803  355.177   2.8539  356.283   2.8263 -1.105438 4.016608 
1 1 1    8   10   11 o  106.913   1.9146   89.714   3.2122   91.177   4.6897   88.421   4.4089  107.730   2.7763  106.127   2.6473 1.602867 3.836100 
1 1 1    8   10   12 o  330.122   1.7933  855.398   9.2903  852.428   13.157  858.351   13.120  329.493   2.5445  330.638   2.5286 -1.144165 3.587231 
1 1 1    8   10   13 o  135.596   1.5085  144.315   3.2100  144.439   4.5805  144.195   4.4998  135.631   2.1520  135.518   2.1159 0.1126556 3.017948 
1 1 1    8   10   14 o   98.543   1.6612   76.238   2.5689   79.341   3.7407   73.469   3.5341  100.498   2.3719   96.710   2.3286 3.788307 3.323877 
1 1 1    8   10   15 o   57.235   2.2647   25.778   2.0302   23.530   2.9203   27.882   2.8243   54.572   3.4273   59.463   3.0367 -4.891109 4.579047 
1 1 1    8   10   16 o   98.842   1.6566   76.724   2.5696   77.319   3.6933   76.165   3.5775   99.180   2.3729   98.441   2.3157 0.7388611 3.315627 
1 1 1    8   10   17 o  136.697   1.5086  146.749   3.2362  145.342   4.6236  148.099   4.5312  135.977   2.1667  137.268   2.1035 -1.290970 3.019843 
1 1 1    8   10   18 o   67.105   2.0907   35.440   2.1990   32.697   3.0871   38.266   3.1332   64.339   3.0663   69.641   2.8731 -5.302406 4.202033 
1 1 1    8   10   19 o   54.708   2.3877   23.604   2.0450   21.845   2.9088   25.323   2.8756   52.461   3.5542   56.549   3.2541 -4.088310 4.818840 
1 1 1    8   10   20 o   26.940   4.5653   5.9269   1.8612   5.1691   2.7089   6.6045   2.5616   24.875   6.7630   28.170   5.9796 -3.294802 9.027437 
1 1 1    8   10   21 o   87.482   1.7943   60.215   2.4633   58.764   3.5697   61.534   3.4035   86.245   2.6406   88.296   2.4586 -2.051384 3.607991 
1 1 1    8   10   22 f   60.580   2.1888   28.983   2.0774   27.239   3.0302   30.530   2.8535   58.481   3.3154   62.019   2.9403 -3.538136 4.431385 
1 1 1    8   10   23 f   35.370   3.3590   10.051   1.8421   8.7669   2.6525   11.247   2.5601   32.408   5.4060   37.111   4.4869 -4.703716 7.025436 
1 1 1    8   10   24 o   34.005   3.9368   9.4169   2.0621   13.981   3.1141   5.8528   2.7518   41.147   4.9201   25.892   6.7161 15.25430 8.325463 
1 1 1    8   10   25 o   40.628   2.9127   13.230   1.8447   14.250   2.6612   12.287   2.5595   41.748   4.1154   38.673   4.2894 3.075218 5.944347 
1 1 1    8   10   26 o   30.320   4.0275   7.6026   1.8690   11.247   2.5524   3.3901   2.7442   36.750   4.5209   20.178   7.0458 16.57170 8.371473 
1 1 1    8   10   27 o   22.128   5.3678   4.3225   1.8447   5.7081   2.6282   2.9771   2.5897   24.923   6.6117   18.933   6.8211 5.990749 9.499592 
1 1 1    8   10   28 o   8.9817   4.2494  -1.5636   1.5865  -1.7283   2.3056  -1.4155   2.1865   11.129   5.2211   11.099   5.1664 0.3046322E-01 7.345166 
1 1 1    8   10   29 o   23.984   4.3870   5.0860   1.5904   6.0050   2.3158   4.2657   2.1879   24.978   5.9861   20.863   6.2174 4.115419 8.630698 
1 1 1    8   10   30 o   16.195   5.5721   2.4413   1.7135   1.4760   2.4596   3.3516   2.3885   14.981   6.2610   18.332   6.5573 -3.351812 9.066355 
1 1 1    8   10   31 o   13.347   4.8638   1.5462   1.3216   3.2418   1.9846   0.1950   1.7716   17.767   5.9990   11.451   5.0502 6.316624 7.841725 
1 1 1    8   10   32 o   10.738   5.0065  -0.5530   2.0665  -0.3442   2.9707  -0.7487   2.8765   12.490   5.8805   12.025   5.6990 0.4651508 8.188939 
1 1 1    8   11    0 o  341.484   2.4532  915.223   13.145  915.223   13.145  915.223   13.145  341.484   2.4532  341.484   2.4532 -0.000000 0.000000 
1 1 1    8   11    1 o  223.479   1.5829  391.908   5.5513  398.313   8.1131  386.270   7.6123  225.287   2.2948  221.857   2.1864 3.430298 3.169621 
1 1 1    8   11    2 o  277.552   1.7152  604.519   7.4706  605.943   10.625  603.126   10.506  277.865   2.4365  277.219   2.4150 0.6460876 3.430615 
1 1 1    8   11    3 o  379.161   1.9480  1128.19   11.591  1142.04   16.591  1114.98   16.200  381.456   2.7716  376.911   2.7388 4.545502 3.896518 
1 1 1    8   11    4 o  334.514   1.8236  878.130   9.5730  864.318   13.438  892.363   13.641  331.853   2.5803  337.194   2.5779 -5.341034 3.647381 
1 1 1    8   11    5 o  266.248   1.6918  556.286   7.0687  544.795   9.9107  568.184   10.085  263.469   2.3970  269.065   2.3884 -5.596283 3.383788 
1 1 1    8   11    6 o  218.580   1.9232  374.945   6.5970  372.424   9.2340  377.574   9.4282  217.827   2.7013  219.327   2.7392 -1.500000 3.847121 
1 1 1    8   11    7 o  324.551   1.6899  826.614   8.6068  822.096   12.137  831.183   12.207  323.641   2.3897  325.425   2.3903 -1.783752 3.379955 
1 1 1    8   11    8 o  127.457   1.8756  127.491   3.7515  127.603   4.7721  127.308   6.0700  127.506   2.3849  127.348   3.0373 0.1584091 3.861722 
1 1 1    8   11    9 o  135.206   1.6693  143.463   3.5419  142.438   4.9508  144.538   5.0693  134.711   2.3419  135.700   2.3805 -0.9887543 3.339297 
1 1 1    8   11   10 o  266.158   1.7296  555.976   7.2244  562.383   9.9455  548.818   10.512  267.661   2.3677  264.405   2.5333 3.255676 3.467552 
1 1 1    8   11   11 o  100.055   1.9642   78.582   3.0841   79.982   4.4115   77.243   4.3133  100.884   2.7892   99.141   2.7751 1.742958 3.934564 
1 1 1    8   11   12 o  147.656   1.7214  171.142   3.9887  168.647   5.6449  173.630   5.6368  146.544   2.4546  148.695   2.4156 -2.151138 3.443878 
1 1 1    8   11   13 o  149.440   1.7241  175.334   4.0433  175.508   5.7457  175.163   5.6907  149.470   2.4495  149.325   2.4285 0.1454010 3.449292 
1 1 1    8   11   14 o   78.138   2.1574   47.999   2.6430   51.632   3.7996   44.594   3.6788   80.974   2.9953   75.233   3.1227 5.741623 4.327022 
1 1 1    8   11   15 o  107.675   2.0817   91.089   3.5176   94.907   5.0940   87.609   4.8633  109.797   2.9591  105.490   2.9406 4.306557 4.171695 
1 1 1    8   11   16 o  133.733   1.9622  140.527   4.1181  142.066   5.9140  139.079   5.7376  134.366   2.8047  132.953   2.7499 1.412857 3.927921 
1 1 1    8   11   17 o   35.873   4.4570   10.338   2.4551   7.1278   3.5376   13.320   3.4101   29.232   7.6310   40.579   5.4961 -11.34710 9.404240 
1 1 1    8   11   18 o   85.382   2.1481   57.376   2.8759   56.179   4.0647   58.577   4.0696   84.350   3.0759   86.144   3.0150 -1.794296 4.307141 
1 1 1    8   11   19 o   26.064   5.4818   5.6256   2.1710   4.0016   3.1091   7.1707   3.0327   22.651   7.5063   29.260   6.7432 -6.608509 10.09034 
1 1 1    8   11   20 o   21.953   6.0881   4.0065   2.1706   4.9982   3.1494   3.1091   2.9957   24.597   7.4883   20.719   7.3509 3.878304 10.49334 
1 1 1    8   11   21 o   56.969   2.7274   25.707   2.4312   25.645   3.4738   25.766   3.4039   56.616   3.9344   56.775   3.8430 -0.1591377 5.499834 
1 1 1    8   11   22 o   17.896   6.0862   2.4721   2.0429   1.3889   2.9139   3.5192   2.8650   17.383   6.9862   21.114   7.2069 -3.730309 10.03722 
1 1 1    8   11   23 o   16.681   6.0813   1.9621   2.0664   2.3174   2.9165   1.6040   2.9283   18.796   7.1503   17.632   7.0314 1.163189 10.02834 
1 1 1    8   11   24 o   16.151   6.3141   1.5034   2.3192   3.3241   3.1531  -0.6426   3.4233   20.745   7.5195   15.672   6.9607 5.072165 10.24664 
1 1 1    8   11   25 o   23.856   5.4610   4.9145   2.0002   1.7753   2.7452   8.4674   2.9205   17.317   6.8393   31.170   6.1889 -13.85223 9.223808 
1 1 1    8   11   26 f   22.905   5.3299   4.5758   1.8797   6.2569   2.7244   3.0486   2.5968   26.303   6.6092   19.256   6.8428 7.047369 9.513427 
1 1 1    8   11   27 o   28.857   4.2721   7.0676   1.8762   5.9399   2.5888   8.3154   2.7231   25.253   6.4957   30.374   5.9257 -5.121040 8.792500 
1 1 1    8   11   28 o   15.235   5.7126   1.8430   1.8462  -0.2500   2.6244   3.8936   2.5977   13.402   6.0135   20.085   6.8622 -6.683014 9.124267 
1 1 1    8   11   29 o   14.595   5.4067   1.7776   1.6440   0.3276   2.3787   3.1036   2.2747   13.321   5.8643   17.968   6.4024 -4.647493 8.682172 
1 1 1    8   11   30 o   21.434   4.8538   4.2797   1.5946   6.0834   2.3271   2.6832   2.1893   24.639   6.0610   16.792   6.2358 7.846863 8.696015 
1 1 1    8   11   31 o   6.9462   3.4851  -4.1201   1.6525  -2.3488   2.3910  -5.7398   2.2864   10.165   4.9158   7.9741   4.0140 2.191164 6.346468 
1 1 1    8   11   32 o   10.525   4.5139   0.5417   1.3348   1.1976   1.9867   0.0019   1.8023   12.720   5.4819   10.708   4.8760 2.012357 7.336689 
1 1 1    8   12    0 o  107.681   3.0031   91.210   5.0658   91.210   5.0658   91.210   5.0658  107.681   3.0031  107.681   3.0031 -0.000000 0.000000 
1 1 1    8   12    1 o  521.065   2.3766  2130.87   19.434  2130.88   27.452  2130.86   27.515  521.008   3.3576  521.006   3.3653 0.2319336E-02 4.753803 
1 1 1    8   12    2 o   90.452   2.1247   64.209   3.0160   66.223   4.2395   62.145   4.2914   91.805   2.9465   88.924   3.0799 2.880630 4.262319 
1 1 1    8   12    3 o  294.547   1.7547  680.837   8.1108  675.877   11.376  685.965   11.567  293.453   2.4703  295.634   2.4932 -2.181396 3.509760 
1 1 1    8   12    4 o  117.270   1.8230  107.924   3.3549  109.620   4.6966  106.158   4.7939  118.180   2.5324  116.297   2.6267 1.882744 3.648673 
1 1 1    8   12    5 o  267.125   1.5925  559.964   6.6759  560.548   9.4360  559.379   9.4464  267.248   2.2499  266.969   2.2548 0.2788696 3.185282 
1 1 1    8   12    6 o  134.692   1.7264  142.373   3.6491  141.887   5.6052  142.730   4.8074  134.449   2.6566  134.854   2.2717 -0.4049072 3.495415 
1 1 1    8   12    7 o  314.681   1.6775  777.115   8.2842  782.622   11.776  771.720   11.656  315.770   2.3765  313.563   2.3687 2.206696 3.355356 
1 1 1    8   12    8 o   74.668   2.4229   43.810   2.8353   42.977   4.0466   44.613   3.9738   73.896   3.4994   75.300   3.3713 -1.404503 4.859222 
1 1 1    8   12    9 o  289.745   1.6294  658.873   7.4088  659.848   10.488  657.903   10.467  289.927   2.3051  289.500   2.3040 0.4276123 3.259132 
1 1 1    8   12   10 o   74.035   2.3007   43.074   2.6698   39.433   4.1402   45.666   3.4930   70.740   3.7428   76.198   2.9266 -5.457977 4.751178 
1 1 1    8   12   11 o  127.938   1.6083  128.480   3.2290  133.497   4.6022  123.617   4.5316  130.389   2.2491  125.469   2.3015 4.919884 3.217976 
1 1 1    8   12   12 o  236.508   1.5862  439.117   5.8872  442.474   8.1481  435.451   8.5156  237.358   2.1875  235.455   2.3046 1.903076 3.177484 
1 1 1    8   12   13 o   95.422   1.7656   71.500   2.6439   78.954   3.8349   64.747   3.6500  100.239   2.4378   90.731   2.5661 9.508110 3.539465 
1 1 1    8   12   14 o  112.412   1.6531   99.231   2.9162   97.939   4.1548  100.486   4.0942  111.631   2.3717  113.078   2.3072 -1.447121 3.308784 
1 1 1    8   12   15 o  185.235   1.5119  269.444   4.3950  274.504   6.3019  264.653   6.1325  186.891   2.1487  183.510   2.1295 3.381348 3.025155 
1 1 1    8   12   16 o  111.636   1.6660   97.902   2.9187   99.621   4.2110   96.313   4.0491  112.543   2.3843  110.665   2.3316 1.878426 3.334819 
1 1 1    8   12   17 o   39.446   3.2758   12.358   2.0096   12.204   2.8706   12.506   2.8141   38.930   4.8003   39.448   4.6340 -0.5182991 6.672115 
1 1 1    8   12   18 o  124.044   1.6396  120.925   3.1918  122.147   4.5858  119.777   4.4451  124.566   2.3459  123.360   2.2962 1.206177 3.282619 
1 1 1    8   12   19 o   32.361   4.5359   8.4898   2.2403   15.234   3.3240   2.8760   3.0327   43.421   4.9674   20.372   7.3759 23.04890 8.892592 
1 1 1    8   12   20 o   80.960   2.1908   51.686   2.7809   51.691   4.0473   51.682   3.8276   80.739   3.2007   80.776   3.0248 -0.3782654E-01 4.403831 
1 1 1    8   12   21 o   84.203   2.1749   55.963   2.8715   56.213   3.9837   55.693   4.1428   84.161   3.0211   83.727   3.1586 0.4342346 4.370848 
1 1 1    8   12   22 o   30.474   4.4839   7.6330   2.0803   9.0950   3.2049   6.5684   2.7347   32.618   6.4896   27.649   6.4255 4.969019 9.132420 
1 1 1    8   12   23 o   60.058   2.4206   28.622   2.2768   27.093   3.1186   30.368   3.3317   58.100   3.4357   61.511   3.4655 -3.410736 4.879933 
1 1 1    8   12   24 o   35.846   4.0907   10.533   2.2600   10.330   3.2656   10.719   3.1308   34.563   6.2508   35.423   5.8350 -0.8603210 8.551000 
1 1 1    8   12   25 o   34.698   4.1327   9.9424   2.2061   9.7853   3.2819   10.072   2.9799   33.265   6.5200   34.167   5.7623 -0.9019470 8.701405 
1 1 1    8   12   26 o   21.917   5.9026   4.2970   2.0752   2.5395   3.0672   5.7807   2.8182   18.701   7.2754   24.987   6.9399 -6.286959 10.05453 
1 1 1    8   12   27 o   15.897   6.0419   1.9305   2.0811  -0.1630   2.9737   3.9403   2.9136   14.421   6.4409   20.502   7.2517 -6.080772 9.699124 
1 1 1    8   12   28 o   14.322   5.7803   1.3422   2.0039   0.9808   2.8942   1.6751   2.7774   15.258   6.5962   16.036   6.6739 -0.7785540 9.383498 
1 1 1    8   12   29 f   18.997   6.0157   3.5703   2.0103   5.5483   2.9391   1.8314   2.7557   22.543   7.2881   15.899   6.6346 6.644787 9.855658 
1 1 1    8   12   30 o   12.823   5.5319   0.6840   2.0271   0.3205   2.9051   1.0289   2.8298   13.900   6.2740   14.596   6.4121 -0.6960917 8.970911 
1 1 1    8   12   31 o   11.208   4.9173   0.4290   1.6595  -0.0484   2.3489   0.9046   2.3448   11.926   5.4815   13.046   5.7792 -1.119963 7.965302 
1 1 1    8   13    0 o  340.341   2.4628  909.156   13.152  909.156   13.152  909.156   13.152  340.341   2.4628  340.341   2.4628 0.000000 0.000000 
1 1 1    8   13    1 o  116.674   1.7543  106.830   3.2120  106.551   4.5589  107.105   4.5262  116.513   2.4933  116.816   2.4690 -0.3025589 3.508953 
1 1 1    8   13    2 o   74.939   2.2371   44.115   2.6279   40.479   3.7010   47.813   3.7321   71.730   3.2966   77.983   3.0556 -6.253372 4.494918 
1 1 1    8   13    3 o  219.465   1.5621  377.974   5.3800  377.527   7.6015  378.422   7.6154  219.322   2.2086  219.582   2.2100 -0.2595215 3.124373 
1 1 1    8   13    4 o  218.224   1.5521  373.709   5.3153  382.299   7.6087  365.521   7.4286  220.704   2.1968  215.807   2.1935 4.897217 3.104413 
1 1 1    8   13    5 o  227.385   1.5788  405.753   5.6338  402.841   7.9463  408.696   7.9887  226.552   2.2351  228.192   2.2308 -1.640549 3.157864 
1 1 1    8   13    6 f  171.710   1.5891  231.388   4.2820  230.378   6.0993  232.369   6.0130  171.321   2.2686  172.061   2.2269 -0.7395020 3.178964 
1 1 1    8   13    7 o  219.499   1.6898  378.126   5.8208  376.504   8.1966  379.777   8.2674  219.005   2.3849  219.954   2.3951 -0.9494019 3.380019 
1 1 1    8   13    8 o  211.021   1.9510  349.526   6.4607  359.274   9.1459  339.816   9.1277  213.908   2.7246  208.031   2.7959 5.877014 3.903908 
1 1 1    8   13    9 f  200.258   1.6596  314.772   5.2157  317.401   7.3445  312.097   7.4081  201.061   2.3277  199.372   2.3678 1.689117 3.320297 
1 1 1    8   13   10 o  196.681   1.7965  303.679   5.5448  299.802   8.5446  306.500   7.2877  195.355   2.7872  197.559   2.3507 -2.203781 3.646065 
1 1 1    8   13   11 o  130.307   1.7511  133.316   3.5809  133.814   5.0327  132.806   5.0962  130.511   2.4572  130.016   2.4977 0.4950562 3.503778 
1 1 1    8   13   12 o   51.424   2.7309   20.846   2.1960   19.333   3.0963   22.377   3.1149   49.377   4.0309   53.179   3.7567 -3.802357 5.510067 
1 1 1    8   13   13 o  100.300   1.7913   79.011   2.8196   73.214   3.9435   85.073   4.0329   96.466   2.6074  104.034   2.4702 -7.567581 3.591706 
1 1 1    8   13   14 o   83.486   1.9552   54.761   2.5616   55.152   3.6710   54.390   3.5762   83.680   2.7994   83.105   2.7459 0.5749359 3.921285 
1 1 1    8   13   15 o  170.983   1.5434  229.618   4.1413  226.542   5.8827  232.640   5.8309  169.747   2.2083  172.024   2.1599 -2.276688 3.089030 
1 1 1    8   13   16 o   48.552   2.8834   18.636   2.1870   18.980   3.1852   18.330   3.0082   48.796   4.2004   47.978   4.0328 0.8187408 5.822940 
1 1 1    8   13   17 o   67.303   2.2720   35.687   2.3962   32.930   3.4016   38.404   3.3761   64.486   3.3731   69.701   3.0942 -5.215210 4.577344 
1 1 1    8   13   18 o   47.827   3.1801   18.148   2.3732   18.597   3.3679   17.704   3.3448   48.156   4.5090   46.955   4.5981 1.200809 6.439991 
1 1 1    8   13   19 o   67.784   2.4804   36.282   2.6340   39.233   3.7342   33.360   3.7160   70.299   3.3949   64.745   3.6724 5.554161 5.001164 
1 1 1    8   13   20 o   33.038   4.4772   8.8891   2.2616   10.036   3.1890   7.7289   3.2079   34.656   6.0856   30.091   6.9355 4.564854 9.226919 
1 1 1    8   13   21 o   43.793   3.3026   15.342   2.2530   8.8020   3.1468   22.219   3.2271   32.138   6.4637   52.553   3.9417 -20.41526 7.570783 
1 1 1    8   13   22 o   23.792   6.1594   4.8734   2.3175   5.9658   3.2513   3.7450   3.3043   26.073   7.5279   21.789   7.7212 4.284092 10.78358 
1 1 1    8   13   23 o   22.044   6.2045   4.2049   2.2366   1.6022   3.2188   6.6345   3.1100   18.021   7.3068   27.325   7.1656 -9.303423 10.23402 
1 1 1    8   13   24 f   38.486   4.5149   12.273   2.6751   13.449   3.8808   11.208   3.6924   39.255   6.5290   35.581   6.8615 3.673706 9.471410 
1 1 1    8   13   25 o   51.975   2.6962   21.656   2.1916   21.918   3.1304   21.405   3.0694   51.705   3.8864   51.111   3.8552 0.5939407 5.474190 
1 1 1    8   13   26 o   16.705   5.9347   2.2947   1.9532  -2.0979   2.7365   6.8569   2.7889   12.094   5.6783   27.115   6.6140 -15.02071 8.717107 
1 1 1    8   13   27 o   11.990   5.2448   0.0676   1.8753  -2.4681   2.6478   2.6198   2.6564   11.329   5.3970   17.650   6.7965 -6.320850 8.678776 
1 1 1    8   13   28 o   12.600   5.3521   0.6187   1.8444   4.4440   2.6247  -3.1132   2.5924   20.744   6.8975   10.523   5.0961 10.22102 8.575858 
1 1 1    8   13   29 o   15.830   5.7095   2.3121   1.8150   2.0281   2.6240   2.5726   2.5133   15.927   6.5440   16.745   6.5651 -0.8179932 9.269492 
1 1 1    8   13   30 o   15.951   5.5708   2.5311   1.7156   2.6183   2.4380   2.4455   2.4146   16.221   6.4330   15.910   6.3714 0.3104162 9.054150 
1 1 1    8   13   31 o   11.182   4.9987   0.3415   1.7953  -1.6923   2.5334   2.3933   2.5446   10.601   5.1100   14.948   6.3149 -4.346817 8.123438 
1 1 1    8   14    0 o   46.119   5.3314   17.361   3.7247   17.361   3.7247   17.361   3.7247   46.119   5.3314   46.119   5.3314 -0.000000 0.000000 
1 1 1    8   14    1 o  184.428   1.6209  266.930   4.6912  258.095   6.5718  276.111   6.6988  181.335   2.3094  187.559   2.2759 -6.223236 3.242373 
1 1 1    8   14    2 o  128.337   1.7783  129.261   3.5816  126.719   5.0118  131.915   5.1202  127.057   2.5136  129.636   2.5168 -2.578804 3.557019 
1 1 1    8   14    3 o  100.739   1.9899   79.650   3.1458   74.436   4.4543   84.838   4.4434   97.328   2.9197  103.921   2.7270 -6.593071 3.995093 
1 1 1    8   14    4 o   98.031   1.9922   75.428   3.0648   76.807   4.3642   74.086   4.3049   98.870   2.8156   97.100   2.8281 1.769073 3.990746 
1 1 1    8   14    5 o  132.151   1.7364  137.063   3.6009  136.507   5.0817  137.623   5.1034  131.867   2.4556  132.405   2.4561 -0.5382843 3.473140 
1 1 1    8   14    6 o  180.662   1.6008  256.162   4.5386  257.338   6.4425  255.004   6.3949  181.055   2.2674  180.232   2.2610 0.8228302 3.202065 
1 1 1    8   14    7 o  181.600   1.6864  258.848   4.8060  259.228   6.8326  258.475   6.7615  181.704   2.3961  181.441   2.3747 0.2631226 3.373494 
1 1 1    8   14    8 o  194.050   1.6754  295.577   5.1020  289.819   7.6029  300.295   6.8815  192.104   2.5219  195.563   2.2423 -3.459061 3.374599 
1 1 1    8   14    9 o  108.404   1.8143   92.259   3.0864   85.479   4.2992   99.470   4.4337  104.279   2.6293  112.531   2.5106 -8.252190 3.635416 
1 1 1    8   14   10 o  124.707   1.9880  122.132   3.8907  127.166   5.5396  117.232   5.4656  127.199   2.7752  122.124   2.8519 5.075180 3.979269 
1 1 1    8   14   11 o  174.575   1.5839  239.287   4.3393  235.565   6.1248  243.038   6.1487  173.155   2.2540  175.883   2.2277 -2.727661 3.169047 
1 1 1    8   14   12 o  174.801   1.5860  239.934   4.3505  243.705   6.2142  236.309   6.0928  176.103   2.2486  173.411   2.2389 2.691772 3.173135 
1 1 1    8   14   13 o  116.227   1.8974  106.129   3.4609  103.380   4.8236  109.046   4.9684  114.641   2.6812  117.740   2.6890 -3.098862 3.797276 
1 1 1    8   14   14 o  158.320   1.9145  196.972   4.7567  202.245   6.8416  192.037   6.6180  160.303   2.7196  156.208   2.6997 4.094376 3.832068 
1 1 1    8   14   15 o   54.357   3.1363   23.371   2.6640   23.258   3.6845   23.494   3.8562   54.019   4.3839   54.259   4.5713 -0.2393646 6.333701 
1 1 1    8   14   16 o   71.321   2.4346   40.093   2.7209   40.845   3.8570   39.347   3.8389   71.831   3.4316   70.489   3.4812 1.342163 4.888222 
1 1 1    8   14   17 o   75.876   2.3216   45.375   2.7611   45.345   3.8739   45.405   3.9365   75.686   3.2693   75.726   3.3206 -0.3971100E-01 4.659848 
1 1 1    8   14   18 o   62.092   2.4994   30.448   2.4305   31.068   3.4693   29.851   3.4059   62.518   3.5508   61.276   3.5572 1.241974 5.026125 
1 1 1    8   14   19 o   29.944   4.6842   7.3466   2.1291   5.8120   3.0112   8.8807   3.0108   26.134   7.1408   32.572   6.1147 -6.438023 9.401046 
1 1 1    8   14   20 f   29.578   5.1343   7.2673   2.2968   7.9923   3.0178   6.2692   3.5410   30.626   6.4814   26.928   7.8799 3.698668 10.20300 
1 1 1    8   14   21 o   29.290   4.7657   7.1147   2.1153   5.7035   2.9992   8.5115   2.9838   25.601   7.1775   31.568   6.2442 -5.967222 9.513531 
1 1 1    8   14   22 o   21.437   6.1543   3.9489   2.1789   4.3713   2.9718   3.4580   3.2041   22.629   7.3295   21.057   7.5872 1.571800 10.54924 
1 1 1    8   14   23 o   25.552   5.4036   5.6056   2.0990   4.5965   2.9251   6.6767   3.0137   22.904   7.2569   27.329   6.9977 -4.424562 10.08116 
1 1 1    8   14   24 o   17.181   6.3719   2.1736   2.2846   2.0865   3.2385   2.2600   3.2233   18.475   7.3854   18.715   7.4048 -0.2405930 10.45825 
1 1 1    8   14   25 o   29.881   4.6175   7.5932   2.0955   5.3576   2.9886   9.7553   2.9390   23.927   7.2968   33.237   5.8482 -9.309853 9.351176 
1 1 1    8   14   26 o   17.729   6.3140   2.7432   2.2121  -2.4016   3.1388   7.8206   3.1181   12.679   5.9921   28.324   7.0445 -15.64493 9.248244 
1 1 1    8   14   27 f   10.337   4.8972  -1.8307   2.1204   0.2657   3.0240  -3.8584   2.9739   14.603   6.5104   11.041   5.3726 3.561676 8.440966 
1 1 1    8   14   28 o   15.186   5.8200   1.9494   1.9415   0.3811   2.7529   3.5012   2.7385   13.970   6.2211   18.610   6.9617 -4.640085 9.336344 
1 1 1    8   14   29 o   13.460   5.5079   1.2445   1.8493   0.2740   2.6046   2.2311   2.6262   13.351   5.9904   16.042   6.5640 -2.691332 8.886563 
1 1 1    8   14   30 o   7.9706   3.9320  -2.9392   1.7693  -0.1079   2.5443  -5.5904   2.4620   12.232   5.6518   8.3835   4.2128 3.848307 7.049090 
1 1 1    8   15    0 o   34.804   7.7454   10.819   3.6966   10.819   3.6966   10.819   3.6966   34.804   7.7454   34.804   7.7454 -0.000000 0.000000 
1 1 1    8   15    1 o   92.907   2.1470   67.757   3.1303   62.445   4.3730   73.338   4.4828   89.116   3.1318   96.596   2.9607 -7.479591 4.309720 
1 1 1    8   15    2 f   23.379   6.5623   4.4231   2.5056   7.3552   3.6030   1.6772   3.4867   29.967   7.6395   19.563   7.7135 10.40427 10.85636 
1 1 1    8   15    3 o  247.676   1.6885  481.467   6.5631  475.288   9.4647  487.190   9.1086  246.044   2.4512  249.113   2.3300 -3.068680 3.381916 
1 1 1    8   15    4 o  117.593   1.8271  108.541   3.3718  106.050   4.7629  111.042   4.7739  116.215   2.6116  118.920   2.5581 -2.705429 3.655678 
1 1 1    8   15    5 o  126.618   1.7720  125.844   3.5209  129.592   5.0199  122.215   4.9398  128.466   2.4900  124.755   2.5231 3.711746 3.544895 
1 1 1    8   15    6 o   46.832   3.4055   17.328   2.4857   19.469   3.5366   15.238   3.4944   49.527   4.6030   43.681   5.1997 5.845707 6.944370 
1 1 1    8   15    7 o  207.423   1.7137  337.759   5.5783  337.931   7.8743  337.585   7.9035  207.425   2.4190  207.318   2.4293 0.1072693 3.428279 
1 1 1    8   15    8 o   92.027   2.3082   66.567   3.3309   75.451   5.0592   59.769   4.4254   97.896   3.2978   87.123   3.2424 10.77312 4.624839 
1 1 1    8   15    9 o  213.668   1.7079  358.477   5.7269  368.750   8.1716  348.560   8.0284  216.633   2.4037  210.616   2.4290 6.017349 3.417286 
1 1 1    8   15   10 o  151.979   1.9234  181.419   4.5873  191.216   6.6283  172.413   6.3551  155.951   2.7084  148.082   2.7347 7.868866 3.848899 
1 1 1    8   15   11 o  189.058   1.6122  280.685   4.7833  283.482   6.8307  277.994   6.7003  189.919   2.2919  188.074   2.2702 1.844498 3.225889 
1 1 1    8   15   12 o  118.810   1.8123  110.891   3.3790  113.326   4.9155  108.710   4.6525  120.030   2.6096  117.570   2.5217 2.460381 3.628847 
1 1 1    8   15   13 o   37.296   3.9348   11.105   2.2683   7.5340   3.1713   14.846   3.2459   30.108   6.8647   43.013   4.8958 -12.90426 8.431643 
1 1 1    8   15   14 o   64.906   2.4845   33.205   2.5259   31.459   3.5650   34.965   3.5795   63.013   3.6204   66.472   3.4431 -3.458942 4.996214 
1 1 1    8   15   15 o   28.934   5.0491   6.8490   2.2092   4.3057   3.0680   9.5878   3.1838   23.253   7.4395   34.094   6.1780 -10.84145 9.670246 
1 1 1    8   15   16 o   19.558   6.2226   3.0326   2.1488   0.9847   3.0320   5.0991   3.0457   17.271   7.0582   24.828   7.3197 -7.557251 10.16837 
1 1 1    8   15   17 o   49.546   3.2913   19.505   2.5445   23.391   3.5893   15.580   3.6078   54.060   4.2653   43.773   5.3640 10.28712 6.853137 
1 1 1    8   15   18 o   63.847   2.6468   32.253   2.6463   33.682   3.7798   30.879   3.7061   64.990   3.7216   62.192   3.8156 2.797417 5.330068 
1 1 1    8   15   19 o   50.857   3.2010   20.616   2.5417   15.799   3.4365   26.433   3.7767   43.950   5.0757   57.298   4.2299 -13.34829 6.607190 
1 1 1    8   15   20 o   47.074   4.0752   17.918   2.9809   13.489   4.3016   22.011   4.1346   39.547   7.1962   51.773   5.1574 -12.22589 8.853495 
1 1 1    8   15   21 f   18.512   6.6324   2.5809   2.4445  -0.6041   3.4293   5.8711   3.4855   15.766   6.9864   25.790   7.8829 -10.02408 10.53330 
1 1 1    8   15   22 o   24.280   6.5130   5.1828   2.5327   6.2106   3.5975   4.1727   3.5662   26.231   8.0068   22.500   8.0165 3.731340 11.33017 
1 1 1    8   15   23 o   44.323   3.5543   15.951   2.4515   14.988   3.4467   16.937   3.4875   42.089   5.3382   44.948   5.0304 -2.859352 7.334916 
1 1 1    8   15   24 o   44.466   4.1216   16.365   2.8434   12.674   4.0352   20.005   4.0073   37.203   7.1717   48.365   5.3702 -11.16198 8.959439 
1 1 1    8   15   25 o   46.421   3.5766   17.795   2.5854   13.052   3.6477   22.583   3.6651   37.743   6.3861   51.535   4.5795 -13.79224 7.858350 
1 1 1    8   15   26 o   18.675   6.4950   3.2695   2.3307   0.3079   3.2742   6.3116   3.3184   15.232   6.7836   24.472   7.7264 -9.240176 10.28172 
1 1 1    8   15   27 o   16.608   6.3026   2.4735   2.2625   3.1323   3.1906   1.8072   3.2087   18.276   7.3222   16.459   7.0274 1.816584 10.14888 
1 1 1    8   15   28 o   24.653   5.8118   6.0014   2.2115   7.1121   3.0815   4.8218   3.1756   25.244   7.3406   20.636   7.5364 4.608536 10.52055 
1 1 1    8   15   29 o   10.710   5.0550  -1.2678   2.2205  -4.6310   3.1262   2.1565   3.1545   10.449   5.1678   15.905   6.8811 -5.455919 8.605597 
1 1 1    8   15   30 o   11.070   5.0688  -0.0155   1.9832   2.8194   2.8099  -2.8290   2.7993   15.553   6.6062   10.342   5.0708 5.210844 8.327927 
1 1 1    8   16    0 o   40.301   9.3542   14.678   5.1457   14.678   5.1457   14.678   5.1457   40.301   9.3542   40.301   9.3542 -0.000000 0.000000 
1 1 1    8   16    1 o   19.449   7.3238   2.1820   3.0414  -1.5686   4.1466   6.5496   4.4746   17.190   7.6463   28.811   8.9540 -11.62083 11.77455 
1 1 1    8   16    2 o  178.483   2.0712  250.112   5.8014  253.205   8.1710  246.967   8.2384  179.531   2.9002  177.301   2.9609 2.229416 4.144644 
1 1 1    8   16    3 o   61.295   3.4814   29.628   3.3350   30.443   4.6614   28.774   4.7732   61.993   4.8295   60.226   5.0982 1.767628 7.022567 
1 1 1    8   16    4 o  149.422   2.1253  175.321   4.9835  174.176   6.9593  176.527   7.1396  148.879   2.9787  149.876   3.0355 -0.9975586 4.252909 
1 1 1    8   16    5 o  123.941   2.0679  120.631   4.0222  119.107   5.6733  122.171   5.7032  123.105   2.9367  124.680   2.9149 -1.574928 4.137677 
1 1 1    8   16    6 o  158.666   1.9042  197.691   4.7413  200.522   6.7743  194.974   6.6381  159.734   2.7025  157.511   2.6855 2.223618 3.809907 
1 1 1    8   16    7 o   75.202   2.6791   44.509   3.1567   45.221   4.4819   43.807   4.4468   75.690   3.7853   74.491   3.8167 1.199615 5.375444 
1 1 1    8   16    8 o  138.378   1.9959  150.409   4.3343  150.842   6.2615  150.011   6.0057  138.496   2.8809  138.125   2.7706 0.3707581 3.997032 
1 1 1    8   16    9 o  106.778   2.1856   89.591   3.6623   93.000   5.2132   86.269   5.1461  108.673   3.0599  104.654   3.1369 4.019440 4.382168 
1 1 1    8   16   10 o  195.020   2.0762  298.859   6.3541  294.013   8.2479  305.934   9.9662  193.332   2.7185  197.113   3.2219 -3.781067 4.215544 
1 1 1    8   16   11 o   78.399   2.4110   48.382   2.9628   47.615   4.1454   49.182   4.2361   77.651   3.4102   78.918   3.4286 -1.267174 4.835769 
1 1 1    8   16   12 o   21.660   6.5269   3.7865   2.4012   2.4295   3.3076   5.2986   3.4914   20.192   7.6300   25.611   7.9010 -5.419016 10.98376 
1 1 1    8   16   13 o   71.817   2.5204   40.650   2.8361   40.403   3.8850   40.932   4.1499   71.455   3.4750   71.884   3.6911 -0.4286957 5.069471 
1 1 1    8   16   14 o   67.647   2.6579   36.109   2.8161   37.453   3.8797   34.611   4.0940   68.736   3.6094   65.998   3.9712 2.738686 5.366386 
1 1 1    8   16   15 o   16.704   6.4337   1.5338   2.3806   0.3341   3.2437   2.9345   3.5047   16.861   7.1269   21.214   7.8875 -4.352968 10.63043 
1 1 1    8   16   16 o   43.732   3.7335   15.274   2.5378   14.404   3.5197   16.217   3.6625   42.035   5.4649   44.679   5.3285 -2.644089 7.632673 
1 1 1    8   16   17 o   63.317   2.8259   31.756   2.8009   33.991   3.8882   29.345   4.0381   65.264   3.8129   60.490   4.2816 4.774513 5.733308 
1 1 1    8   16   18 o   52.547   3.4277   22.046   2.8111   21.554   3.8886   22.585   4.0686   51.506   4.8687   52.693   4.9793 -1.186764 6.964047 
1 1 1    8   16   19 o   63.262   2.9264   31.841   2.8974   30.365   4.0763   33.349   4.1191   61.302   4.2639   64.323   4.1020 -3.021561 5.916697 
1 1 1    8   16   20 o   14.639   6.2479   0.2391   2.5345   2.8684   3.5493  -2.4967   3.6205   20.556   7.8715   14.456   6.7014 6.100070 10.33775 
1 1 1    8   16   21 o   27.982   5.8578   6.7499   2.4897   4.7689   3.3659   9.1430   3.6995   23.493   7.8110   31.917   7.5119 -8.424143 10.83698 
1 1 1    8   16   22 o   54.697   3.0902   24.040   2.6417   26.506   3.5900   21.127   3.9012   56.977   4.0412   50.311   5.0075 6.665779 6.434821 
1 1 1    8   16   23 o   40.783   3.6811   13.618   2.3306   11.924   3.2371   15.440   3.3582   37.067   5.7512   42.659   5.1185 -5.591698 7.699063 
1 1 1    8   16   24 o   20.240   7.1302   3.6328   2.8145   1.0154   4.0305   6.1238   3.9319   17.863   7.7529   24.911   8.4437 -7.047956 11.46318 
1 1 1    8   16   25 o   24.938   6.1211   5.8734   2.3774   7.1447   3.3888   4.6412   3.3363   26.316   7.7108   21.597   7.7470 4.719204 10.93034 
1 1 1    8   16   26 o   14.738   6.0192   1.4463   2.2033   3.4978   3.2604  -0.2781   2.9892   19.038   7.4734   13.871   6.3018 5.167054 9.775731 
1 1 1    8   16   27 o   20.922   6.0348   4.4066   2.0904   4.8726   2.9677   3.9476   2.9451   20.990   7.3272   19.291   7.2189 1.699697 10.28590 
1 1 1    8   16   28 o   16.710   6.0181   2.7783   2.0156   5.3521   2.9153   0.4212   2.7899   21.481   7.2708   13.750   6.1822 7.731692 9.543770 
1 1 1    8   16   29 o   11.581   5.1999   0.2770   1.9661   1.1936   2.7908  -0.6261   2.7702   13.864   6.2125   12.049   5.6746 1.815179 8.414009 
1 1 1    8   17    0 o   83.163   3.1930   54.565   4.1532   54.565   4.1532   54.565   4.1532   83.163   3.1930   83.163   3.1930 0.000000 0.000000 
1 1 1    8   17    1 o   19.287   6.5866   2.7077   2.3931  -0.4851   3.4426   5.6932   3.3290   16.542   7.1726   26.470   7.6095 -9.928225 10.45708 
1 1 1    8   17    2 o   35.965   4.5883   10.359   2.5307   11.476   3.5482   9.2028   3.6106   37.596   6.2321   33.441   7.0998 4.154476 9.446991 
1 1 1    8   17    3 o   94.533   2.1904   70.199   3.2495   66.676   4.4449   74.244   4.7624   92.029   3.0821   97.112   3.1291 -5.083260 4.392051 
1 1 1    8   17    4 o   72.323   2.7251   41.176   3.0874   45.518   4.4973   37.305   4.2461   75.937   3.7859   68.706   3.9548 7.230827 5.474764 
1 1 1    8   17    5 o   47.350   3.7994   17.771   2.7995   13.972   3.9655   21.546   3.9528   41.531   6.2804   52.011   4.9006 -10.48089 7.966117 
1 1 1    8   17    6 o  125.537   1.9728  123.793   3.8866  122.089   5.5218  125.466   5.4714  124.598   2.8240  126.315   2.7602 -1.717926 3.948872 
1 1 1    8   17    7 o  114.099   2.2146  102.305   3.9654  109.091   6.2748   97.793   5.1166  117.653   3.4021  111.454   2.9279 6.199478 4.488549 
1 1 1    8   17    8 o   42.284   4.1313   14.242   2.7065   14.056   3.8943   14.415   3.7640   41.632   6.1452   42.236   5.8346 -0.6037407 8.473827 
1 1 1    8   17    9 o   97.170   2.0599   74.206   3.1411   75.860   4.4665   72.587   4.4183   98.128   2.9037   95.981   2.9368 2.146637 4.129902 
1 1 1    8   17   10 o   19.590   6.8480   2.7477   2.5928  -0.2105   3.4700   6.4867   3.9012   16.839   7.2508   28.093   8.2845 -11.25397 11.00938 
1 1 1    8   17   11 o   26.793   5.8924   5.9432   2.4100   3.5907   3.4065   8.3008   3.4102   22.316   7.8457   31.554   7.0632 -9.237583 10.55667 
1 1 1    8   17   12 o   29.107   5.8023   6.9971   2.5573   6.0675   3.7174   7.8323   3.5235   27.127   8.1090   30.551   7.4232 -3.424541 10.99362 
1 1 1    8   17   13 o   33.896   4.9433   9.3312   2.5521   12.544   3.7213   6.4783   3.5067   39.062   6.2836   27.809   7.7482 11.25379 9.975858 
1 1 1    8   17   14 o   50.041   3.4868   19.905   2.7210   19.629   3.9335   20.159   3.7681   49.315   5.1589   50.060   4.8575 -0.7446365 7.085859 
1 1 1    8   17   15 o   45.552   3.6592   16.557   2.5938   16.074   3.7394   17.005   3.6008   44.422   5.4802   45.819   5.0938 -1.397011 7.481953 
1 1 1    8   17   16 o   39.618   3.9712   12.621   2.4358   11.965   3.4270   13.291   3.4626   38.004   5.9405   40.193   5.6451 -2.188858 8.194934 
1 1 1    8   17   17 o   40.147   3.8783   12.979   2.4131   12.822   3.3933   13.139   3.4322   39.350   5.6575   39.846   5.6467 -0.4960976 7.993282 
1 1 1    8   17   18 o   46.990   3.3577   17.681   2.4597   16.936   3.5024   18.406   3.4552   45.437   4.9941   47.503   4.6963 -2.066082 6.855435 
1 1 1    8   17   19 o   16.662   6.3092   1.8001   2.2643   0.7138   3.1810   2.9159   3.2240   16.803   7.0775   20.205   7.5546 -3.402494 10.35196 
1 1 1    8   17   20 o   16.244   6.2488   1.6485   2.2438   2.7426   3.1512   0.5232   3.1958   19.675   7.4446   16.479   7.0238 3.196531 10.23509 
1 1 1    8   17   21 f   32.982   4.6652   9.0867   2.3473   11.268   3.3353   6.9460   3.3041   36.081   6.1083   27.629   7.4511 8.451393 9.634851 
1 1 1    8   17   22 o   23.749   6.1401   5.0239   2.3051   5.5300   3.2734   4.5261   3.2466   24.506   7.6651   22.558   7.6724 1.947659 10.84519 
1 1 1    8   17   23 o   20.143   6.3899   3.6301   2.2673   5.2424   3.1772   1.9571   3.2365   23.584   7.5733   17.947   7.3083 5.636833 10.52452 
1 1 1    8   17   24 o   15.221   6.3473   1.1701   2.5194   0.8747   3.6760   1.4318   3.4598   16.749   7.3343   17.072   7.2934 -0.3236275 10.34344 
1 1 1    8   17   25 o   23.163   6.1047   5.2102   2.2499   5.6252   3.1522   4.7792   3.2123   22.996   7.5554   21.361   7.6085 1.634840 10.72260 
1 1 1    8   17   26 o   12.067   5.4847  -0.3988   2.2674   3.9675   3.3011  -4.2988   3.1198   19.405   7.5482   10.938   5.3610 8.467325 9.258276 
1 1 1    8   17   27 o   10.595   5.0282  -1.6822   2.2545  -0.0306   3.2193  -3.2719   3.1583   14.064   6.4469   11.481   5.5751 2.583479 8.523123 
1 1 1    8   17   28 o   14.901   6.2468   1.9496   2.4599  -0.0522   3.4495   4.0209   3.5089   13.776   6.4379   18.047   7.5053 -4.270718 9.888143 
1 1 1    8   17   29 o   9.5540   4.6349  -1.9609   2.1691  -2.0251   3.0969  -1.8991   3.0390   11.229   5.4681   11.218   5.4524 0.1056385E-01 7.721930 
1 1 1    8   18    0 o   91.606   3.1241   66.166   4.4792   66.166   4.4792   66.166   4.4792   91.606   3.1241   91.606   3.1241 0.000000 0.000000 
1 1 1    8   18    1 o  101.790   2.0522   81.399   3.2782   87.121   4.6923   75.943   4.5818  105.210   2.8446   98.209   2.9763 7.001183 4.117023 
1 1 1    8   18    2 o   78.606   2.4161   48.612   2.9769   49.212   4.2175   48.015   4.2025   78.987   3.4105   78.015   3.4411 0.9720993 4.844846 
1 1 1    8   18    3 o   52.473   3.2610   21.757   2.6721   21.904   3.7949   21.613   3.7631   52.461   4.6579   52.110   4.6505 0.3515511 6.582039 
1 1 1    8   18    4 o  113.144   1.9488  100.569   3.4603  103.148   4.9123   98.029   4.8750  114.519   2.7334  111.636   2.7827 2.882690 3.900624 
1 1 1    8   18    5 o   96.738   2.3229   73.563   3.5264   72.420   4.6181   75.160   5.4613   95.870   3.0735   97.598   3.5717 -1.728012 4.712102 
1 1 1    8   18    6 o   47.791   3.7638   18.122   2.8001   16.192   4.0333   19.918   3.8903   44.782   5.8813   49.911   5.0357 -5.128956 7.742590 
1 1 1    8   18    7 o   22.401   7.4772   3.8176   3.0839   3.3962   4.5440   4.1774   4.1989   23.686   8.9447   24.378   8.6971 -0.6920071 12.47588 
1 1 1    8   18    8 o   87.606   2.3953   60.414   3.2899   51.914   4.6329   69.061   4.6726   81.027   3.6529   93.559   3.1872 -12.53217 4.847859 
1 1 1    8   18    9 o   17.409   6.7303   1.6052   2.6122   1.3594   3.7984   1.8259   3.5983   19.526   7.9298   19.780   7.8244 -0.2542591 11.14016 
1 1 1    8   18   10 o   22.643   6.8839   4.1531   2.6628   6.3453   3.5101   1.1813   4.0868   27.609   7.7735   19.839   8.1608 7.769337 11.27056 
1 1 1    8   18   11 o  105.160   2.0550   86.985   3.3914   84.806   4.7634   89.226   4.8296  103.662   2.9311  106.338   2.8968 -2.676270 4.120998 
1 1 1    8   18   12 o   22.832   7.1270   4.2139   2.8315   8.2461   3.9833   0.0951   4.0258   31.192   8.0751   18.354   7.8548 12.83786 11.26519 
1 1 1    8   18   13 o   42.932   4.2915   14.794   2.8526   16.551   4.0307   13.032   4.0377   45.028   5.8418   39.612   6.7363 5.415607 8.916492 
1 1 1    8   18   14 o   31.149   5.7889   8.0576   2.7256   5.1992   3.7622   11.215   3.9542   25.295   8.2508   36.463   7.1660 -11.16786 10.92824 
1 1 1    8   18   15 o   27.405   6.4701   6.3696   2.7377   6.7521   3.8473   5.9773   3.8964   28.061   8.2142   26.643   8.3670 1.418331 11.72514 
1 1 1    8   18   16 o   28.846   6.1741   7.0586   2.7105   5.4090   3.7888   8.7881   3.8794   25.404   8.2794   31.738   7.8364 -6.333929 11.39988 
1 1 1    8   18   17 o   24.942   6.3748   5.3502   2.5043   10.365   3.4661  -0.1264   3.6223   34.813   6.5856   16.834   7.3278 17.97900 9.852216 
1 1 1    8   18   18 o   25.841   6.1827   5.7710   2.4736   4.2678   3.4385   7.3832   3.5611   22.786   7.8910   28.780   7.7241 -5.993734 11.04216 
1 1 1    8   18   19 o   20.900   6.6556   3.7141   2.4578   1.1539   3.4084   6.4876   3.5475   17.721   7.3857   26.829   7.8970 -9.107557 10.81253 
1 1 1    8   18   20 f   19.974   6.6090   3.3686   2.4105   4.5294   3.4616   2.2759   3.3586   22.911   7.9183   19.072   7.5546 3.839209 10.94399 
1 1 1    8   18   21 o   36.676   4.5150   11.230   2.5438   13.059   3.5617   9.3247   3.6344   38.723   6.0598   31.834   7.4138 6.888706 9.575253 
1 1 1    8   18   22 o   14.606   6.1032   0.7974   2.3364  -0.0046   3.2979   1.6054   3.3105   15.607   6.8866   17.608   7.3035 -2.000517 10.03829 
1 1 1    8   18   23 o   12.943   5.7383  -0.1676   2.3165  -0.7891   3.2550   0.4702   3.2974   14.379   6.5496   15.774   6.9258 -1.395477 9.532288 
1 1 1    8   18   24 o   20.641   6.8961   4.2416   2.6230   1.4668   3.6305   7.2720   3.7940   16.930   7.3530   25.582   8.2813 -8.652306 11.07458 
1 1 1    8   18   25 o   9.1858   4.5117  -3.6611   2.2466  -1.7647   3.1741  -5.5649   3.1804   12.761   6.0294   10.440   5.1722 2.321124 7.943870 
1 1 1    8   18   26 f   17.168   6.3330   2.9061   2.2513   4.9972   3.1784   0.8005   3.1894   20.841   7.5502   14.907   6.6632 5.934042 10.06998 
1 1 1    8   18   27 o   7.8294   3.9308  -5.1707   2.1196  -2.1582   3.0090  -8.1380   2.9863   11.706   5.6239   8.7332   4.4190 2.972701 7.152301 
1 1 1    8   18   28 f   10.584   4.9701  -0.7059   2.0978   0.0227   2.9720  -1.4292   2.9614   12.695   5.9465   11.559   5.5600 1.135501 8.140884 
1 1 1    8   19    0 o   21.087   11.152   5.1686   4.9395   5.1686   4.9395   5.1686   4.9395   21.087   11.152   21.087   11.152 -0.000000 0.000000 
1 1 1    8   19    1 o   88.840   3.1462   62.234   4.3794   66.115   6.1165   58.150   6.2734   91.387   4.2768   85.614   4.6872 5.772552 6.345128 
1 1 1    8   19    2 o   26.477   7.4227   5.7746   3.2077   8.4299   4.6138   3.2904   4.4627   31.833   8.8941   23.428   8.8605 8.405813 12.55443 
1 1 1    8   19    3 o   21.684   7.1555   3.6054   2.8262   3.3706   4.0264   3.8335   3.9679   22.884   8.4643   23.532   8.4476 -0.6480865 11.95854 
1 1 1    8   19    4 o   44.645   4.2878   15.899   2.9672   10.596   4.1922   21.222   4.2004   35.662   7.7154   51.454   5.2766 -15.79229 9.347176 
1 1 1    8   19    5 o   34.976   6.6519   10.090   3.5177   10.133   5.0236   10.048   4.9273   34.690   9.1121   34.551   8.9994 0.1386337 12.80696 
1 1 1    8   19    6 o   12.031   5.6231  -2.5258   2.6330  -5.6905   3.7891   0.4295   3.6616   12.985   6.2568   18.045   7.5967 -5.060064 9.841619 
1 1 1    8   19    7 o   96.734   2.4104   73.635   3.6590   72.256   5.0376   75.174   5.3235   95.636   3.3618   97.526   3.4839 -1.889748 4.841452 
1 1 1    8   19    8 o   58.053   3.3841   26.695   3.0696   21.168   4.5826   31.193   4.1342   51.168   5.8097   62.611   4.2325 -11.44345 7.187953 
1 1 1    8   19    9 o   20.597   6.9378   3.2271   2.6544   0.7848   3.8404   5.4608   3.6728   18.806   7.8389   25.924   8.1208 -7.118282 11.28693 
1 1 1    8   19   10 o  107.204   2.2285   90.462   3.7490   94.873   5.3458   86.193   5.2592  109.579   3.1118  104.418   3.2133 5.161446 4.473138 
1 1 1    8   19   11 o   85.881   2.4626   58.165   3.3155   62.176   4.7680   54.410   4.6136   88.586   3.4363   82.831   3.5576 5.754906 4.946121 
1 1 1    8   19   12 o   31.353   5.6531   8.1297   2.6791   11.056   3.8574   5.4022   3.7239   36.285   7.0281   25.686   8.1939 10.59905 10.79503 
1 1 1    8   19   13 o   28.828   6.1263   6.9794   2.6860   5.8760   3.8815   7.9933   3.7208   26.530   8.3535   30.521   7.7541 -3.990923 11.39772 
1 1 1    8   19   14 o   17.867   6.7882   1.9719   2.6265   2.9162   3.7615   1.0736   3.6689   21.302   8.1164   18.547   7.6906 2.754719 11.18131 
1 1 1    8   19   15 o   13.327   5.9579  -0.8817   2.5510  -1.0052   3.6438  -0.7630   3.5727   16.023   7.1448   16.106   7.1342 -0.8280373E-01 10.09678 
1 1 1    8   19   16 o   12.742   5.7784  -1.2120   2.4989  -4.6270   3.4977   2.3485   3.5715   12.636   6.0688   19.906   7.8196 -7.270085 9.898266 
1 1 1    8   19   17 o   32.288   5.3712   8.7696   2.6260   6.4043   3.6664   11.261   3.7630   26.816   8.0617   35.981   6.9156 -9.164713 10.62151 
1 1 1    8   19   18 o   9.7320   4.7802  -4.8278   2.5230  -3.1484   3.5771  -6.4903   3.5592   13.744   6.4651   11.607   5.6966 2.136354 8.616726 
1 1 1    8   19   19 o   14.114   6.2011  -0.2510   2.6475   2.1476   3.5700  -3.1819   3.9463   19.187   7.7252   14.484   6.8062 4.702591 10.29575 
1 1 1    8   19   20 o   17.758   6.9797   2.0364   2.8468   3.8510   4.0368   0.2411   4.0154   21.973   8.3995   17.461   7.6553 4.512213 11.36465 
1 1 1    8   19   21 o   12.855   6.0147  -2.1945   3.0254   1.1875   4.2981  -5.5158   4.2594   18.624   8.0448   13.428   6.5098 5.195651 10.34877 
1 1 1    8   19   22 o   41.138   4.5570   14.461   2.8926   13.544   3.9830   15.484   4.2077   37.872   6.9580   40.659   6.8368 -2.786888 9.754826 
1 1 1    8   19   23 o   12.440   5.6507  -0.5927   2.4018   3.5617   3.2823  -5.3816   3.5240   19.511   7.5438   11.487   5.6439 8.023160 9.421370 
1 1 1    8   19   24 o   12.317   5.7405  -1.1960   2.7132   2.2654   3.6982  -5.2307   3.9927   17.460   7.5013   12.242   6.0130 5.218001 9.613813 
1 1 1    8   19   25 o   12.805   5.8006  -0.1150   2.5102  -0.3020   3.4327   0.0998   3.6800   14.215   6.5669   14.910   6.8559 -0.6951418 9.493524 
1 1 1    8   19   26 f   13.806   5.9556   1.0659   2.3493  -2.1988   3.2907   4.4594   3.3550   12.280   5.8950   19.373   7.5882 -7.092433 9.608942 
1 1 1    8   19   27 o   15.592   6.2603   2.6469   2.3375  -0.6600   3.2988   5.9818   3.3127   12.751   6.0602   20.404   7.6519 -7.652909 9.761051 
1 1 1    8   19   28 o   8.5774   4.2515  -3.2743   2.1585  -8.2654   3.0598   1.6702   3.0454   8.4183   4.2817   13.833   6.3143 -5.415086 7.629070 
1 1 1    8   20    0 o   20.152   9.7312   4.7811   3.5774   4.7811   3.5774   4.7811   3.5774   20.152   9.7312   20.152   9.7312 -0.000000 0.000000 
1 1 1    8   20    1 o   37.403   4.5318   11.242   2.6059   8.7234   3.6319   13.915   3.7410   32.314   7.3310   41.366   5.9325 -9.052124 9.430711 
1 1 1    8   20    2 o   74.914   2.5397   44.225   2.9814   42.372   4.1845   46.135   4.2489   73.157   3.6564   76.362   3.5554 -3.204674 5.100016 
1 1 1    8   20    3 o   41.412   4.1084   13.700   2.6348   10.525   3.7147   16.915   3.7378   35.633   6.8923   45.816   5.2960 -10.18301 8.692027 
1 1 1    8   20    4 o   39.557   4.3323   12.542   2.6454   11.465   3.7536   13.604   3.7288   37.268   6.6627   40.849   5.9952 -3.580414 8.962889 
1 1 1    8   20    5 o   79.812   2.7460   50.247   3.4342   53.125   5.0849   47.833   4.6567   81.836   3.9713   77.673   3.8322 4.162888 5.518743 
1 1 1    8   20    6 o   72.438   2.9050   41.440   3.2956   41.252   4.5814   41.642   4.7443   72.051   4.0684   72.364   4.1957 -0.3129044 5.844326 
1 1 1    8   20    7 f   53.178   3.7183   22.484   3.0834   23.538   4.2793   21.346   4.4468   54.110   5.0997   51.377   5.6062 2.733444 7.578645 
1 1 1    8   20    8 o   24.768   6.8851   5.1132   2.7724   4.7391   3.8277   5.5261   4.0210   24.679   8.3313   26.212   8.5285 -1.533470 11.92249 
1 1 1    8   20    9 o   78.633   2.7425   48.834   3.3790   50.384   4.7156   47.198   4.8443   79.641   3.7839   77.014   4.0222 2.626389 5.522308 
1 1 1    8   20   10 o   70.696   2.9163   39.540   3.2285   39.902   4.4367   39.132   4.7068   70.762   4.0117   69.992   4.3060 0.7702026 5.885199 
1 1 1    8   20   11 o   51.713   3.4545   21.294   2.7873   20.604   3.9159   22.002   3.9684   50.460   5.0113   52.191   4.9026 -1.731682 7.010559 
1 1 1    8   20   12 o   56.767   3.1797   25.621   2.8214   28.117   3.9565   23.039   4.0244   59.167   4.2902   53.350   4.8602 5.817551 6.482809 
1 1 1    8   20   13 o   19.356   6.7572   2.8349   2.5240   6.0613   3.5522  -0.4551   3.5870   26.566   7.9232   16.508   7.2365 10.05852 10.73051 
1 1 1    8   20   14 f   37.275   4.4282   11.332   2.5397   10.544   3.5487   12.159   3.6364   35.126   6.6818   37.929   6.3325 -2.802864 9.205844 
1 1 1    8   20   15 o   16.108   6.4456   1.2576   2.4693  -0.2587   3.4524   2.8456   3.5332   16.253   7.1128   20.559   7.8582 -4.305872 10.59922 
1 1 1    8   20   16 o   19.999   6.6441   3.2937   2.4355  -0.3194   3.3787   7.2023   3.5141   15.931   7.0021   28.352   7.7005 -12.42119 10.40802 
1 1 1    8   20   17 o   12.146   5.5802  -1.4717   2.4307  -1.6157   3.3900  -1.3193   3.4872   14.555   6.6507   15.062   6.8287 -0.5069256 9.532202 
1 1 1    8   20   18 f   14.701   6.2952   0.3152   2.5886   3.5644   3.6821  -2.8604   3.6401   21.400   8.0583   14.009   6.5682 7.391476 10.39606 
1 1 1    8   20   19 o   15.638   6.6318   0.6771   2.8243  -1.2761   3.6848   3.4588   4.3975   15.323   6.9753   21.727   8.6322 -6.404505 11.09822 
1 1 1    8   20   20 o   13.442   5.9825  -0.4007   2.5422   1.1511   3.5804  -1.9785   3.6103   17.463   7.4386   14.385   6.6765 3.077832 9.995416 
1 1 1    8   20   21 o   35.128   5.3883   10.907   2.8757   8.7293   4.1776   12.868   3.9646   28.880   8.5874   36.762   7.1294 -7.881828 11.16122 
1 1 1    8   20   22 o   18.341   6.6475   3.0938   2.4641   1.7787   3.4679   4.4348   3.5019   17.195   7.3226   21.000   7.8691 -3.804537 10.74905 
1 1 1    8   20   23 o   10.367   4.9742  -2.3961   2.3365   1.2431   3.2847  -6.1233   3.3242   15.875   6.9427   10.521   5.2255 5.353383 8.689512 
1 1 1    8   20   24 o   19.908   6.9963   4.3022   2.7086   3.0328   3.7577   5.6751   3.9079   17.974   7.6371   21.485   8.2514 -3.511223 11.24325 
1 1 1    8   20   25 o   10.735   5.1466  -2.1138   2.4900  -0.3606   3.5083  -3.8932   3.5346   14.034   6.5364   11.734   5.7418 2.299085 8.700200 
1 1 1    8   20   26 o   14.886   6.2616   2.0647   2.4844  -0.1836   3.5174   4.3033   3.5097   13.544   6.3834   18.057   7.5076 -4.513108 9.854550 
1 1 1    8   20   27 o   11.653   5.4240   0.0332   2.4094   2.3554   3.4174  -2.2619   3.3974   14.717   6.7063   11.405   5.5907 3.311709 8.731007 
1 1 1    8   21    0 o   42.290   6.2954   15.083   3.9059   15.083   3.9059   15.083   3.9059   42.290   6.2954   42.290   6.2954 0.000000 0.000000 
1 1 1    8   21    1 o   23.552   6.8152   4.5767   2.6621   4.1875   3.7302   4.9808   3.8004   23.661   8.2174   25.121   8.2979 -1.460182 11.67824 
1 1 1    8   21    2 o   36.818   4.8731   10.971   2.7465   6.0383   3.8681   15.986   3.9005   27.076   8.3097   44.344   5.7396 -17.26772 10.09921 
1 1 1    8   21    3 o   42.041   4.2903   14.169   2.7909   15.812   3.9941   12.601   3.9013   44.037   5.9302   39.048   6.6016 4.988728 8.873978 
1 1 1    8   21    4 o   52.605   3.5027   21.981   2.8751   22.462   4.0335   21.484   4.0992   52.872   4.9176   51.646   5.1253 1.226215 7.102890 
1 1 1    8   21    5 o   40.369   4.4582   13.110   2.7773   13.266   3.9622   12.958   3.8942   40.075   6.5244   39.607   6.4898 0.4684029 9.202498 
1 1 1    8   21    6 o   75.927   2.6527   45.515   3.1559   50.881   4.4859   40.257   4.4405   80.086   3.5784   71.118   3.9948 8.967834 5.363183 
1 1 1    8   21    7 o   36.108   4.8894   10.593   2.6995   11.470   3.8064   9.7052   3.8290   37.066   6.7941   33.866   7.4110 3.200012 10.05397 
1 1 1    8   21    8 o   36.227   4.9078   10.678   2.7184   6.8625   3.8303   14.550   3.8587   28.429   8.1593   42.060   6.0173 -13.63155 10.13811 
1 1 1    8   21    9 o   17.834   6.7377   1.9668   2.5789  -1.4987   3.5831   5.6915   3.7147   15.533   6.9932   26.121   8.1647 -10.58774 10.75023 
1 1 1    8   21   10 o   49.685   3.6901   19.740   2.8567   15.893   3.9736   23.856   4.1098   43.881   5.9213   54.287   4.8760 -10.40567 7.670545 
1 1 1    8   21   11 o   89.618   2.4442   63.493   3.4343   67.934   4.6750   58.288   5.0617   92.447   3.2273   85.416   3.7856 7.031456 4.974567 
1 1 1    8   21   12 o   35.061   5.3260   10.198   2.8384   12.131   3.9286   8.0867   4.1053   37.683   6.8974   30.245   8.3670 7.438801 10.84350 
1 1 1    8   21   13 o   24.985   6.7600   5.4055   2.7143   5.6378   3.7448   5.1483   3.9398   25.567   8.2231   24.795   8.4515 0.7723064 11.79184 
1 1 1    8   21   14 o   26.786   6.5324   6.2458   2.7209   3.8126   3.7019   9.1046   4.0127   22.230   8.1341   31.824   8.0348 -9.593794 11.43335 
1 1 1    8   21   15 f   30.378   6.2541   8.0020   2.8821   8.3756   3.9374   7.5707   4.2303   30.310   8.1163   28.717   8.6654 1.592873 11.87279 
1 1 1    8   21   16 o   13.516   6.0848  -0.9276   2.7124   3.3954   3.8442  -5.2137   3.8277   21.432   8.1956   12.921   6.2417 8.511035 10.30177 
1 1 1    8   21   17 f   21.300   7.0249   3.9364   2.7241   6.7053   3.8106   1.0423   3.8958   26.814   8.2511   18.220   7.7602 8.593208 11.32704 
1 1 1    8   21   18 o   16.364   6.6557   1.3873   2.6806   1.8673   3.7626   0.8924   3.8200   18.833   7.7968   17.749   7.6246 1.084345 10.90526 
1 1 1    8   21   19 o   13.459   6.1395  -1.1085   2.8734  -4.9646   4.0389   2.8436   4.0889   13.238   6.3987   20.204   8.2192 -6.966052 10.41627 
1 1 1    8   21   20 o   14.626   6.2549   0.6666   2.5494   4.1684   3.6307  -2.7392   3.5806   21.224   7.9998   13.464   6.3741 7.759933 10.22870 
1 1 1    8   21   21 o   11.842   5.5314  -1.5088   2.5418  -3.6329   3.4975   0.8689   3.7004   12.419   5.9910   16.448   7.2746 -4.029104 9.423994 
1 1 1    8   21   22 o   22.932   6.8617   5.4999   2.6608   4.4177   3.7037   6.6542   3.8251   20.287   7.9648   23.750   8.3166 -3.463760 11.51538 
1 1 1    8   21   23 o   17.460   6.7385   3.0102   2.6154   3.8750   3.7071   2.1533   3.6903   18.997   7.7887   16.914   7.3788 2.082607 10.72899 
1 1 1    8   21   24 o   13.178   6.0678  -0.2718   2.8963   1.3856   4.0625  -1.9849   4.1303   16.138   7.3378   13.771   6.6088 2.367548 9.875183 
1 1 1    8   21   25 o   9.1360   4.5238  -3.9590   2.4208  -4.1388   3.4069  -3.7755   3.4405   11.052   5.4529   11.292   5.5534 -0.2395763 7.782917 
1 1 1    8   21   26 o   11.883   5.5116   0.1433   2.4541   1.6307   3.4376  -1.4029   3.5047   14.174   6.5564   12.082   5.8682 2.092593 8.798927 
1 1 1    8   22    0 o   12.097   7.9332  -0.4501   3.7652  -0.4501   3.7652  -0.4501   3.7652   12.097   7.9332   12.097   7.9332 0.000000 0.000000 
1 1 1    8   22    1 o   39.858   4.5347   12.813   2.7860   14.831   3.9981   10.909   3.8845   42.464   6.1808   36.032   7.1223 6.432411 9.430309 
1 1 1    8   22    2 o   52.142   3.5398   21.633   2.8793   18.957   4.0361   24.408   4.1089   48.333   5.4142   55.092   4.8004 -6.759445 7.235806 
1 1 1    8   22    3 o   14.323   6.2359  -0.3523   2.6246  -3.0423   3.6543   2.5136   3.7719   14.389   6.6915   20.904   8.0858 -6.515576 10.49552 
1 1 1    8   22    4 o   25.973   6.5938   5.6849   2.6919   5.7085   3.8486   5.6623   3.7666   26.296   8.3231   26.168   8.2276 0.1281376 11.70331 
1 1 1    8   22    5 o   37.536   4.9423   11.466   2.8406   6.6390   3.9585   16.591   4.0786   28.002   8.3672   44.963   5.9243 -16.96156 10.25219 
1 1 1    8   22    6 f   51.373   3.9470   21.120   3.1577   18.024   4.3663   24.515   4.5722   46.793   6.0905   54.939   5.3717 -8.146030 8.120936 
1 1 1    8   22    7 o   29.483   6.3967   7.3460   2.8744   8.9620   3.9672   5.5604   4.1703   32.212   7.9075   26.070   8.6950 6.142248 11.75294 
1 1 1    8   22    8 o   19.563   7.1783   2.6603   2.8862   5.8943   3.9264  -1.1412   4.2570   26.436   8.4116   17.346   7.7294 9.089903 11.42361 
1 1 1    8   22    9 o   29.160   6.8311   7.2965   3.0708   3.1490   4.1852   12.134   4.5198   22.153   8.5310   37.349   7.9552 -15.19538 11.66461 
1 1 1    8   22   10 f   33.154   5.6581   9.2054   2.8383   8.2935   3.9729   10.156   4.0562   30.648   8.1284   34.055   7.7630 -3.407227 11.23985 
1 1 1    8   22   11 o   29.523   6.3242   7.4804   2.8418   3.1099   3.9171   12.337   4.1291   21.523   8.2623   37.716   7.2394 -16.19247 10.98520 
1 1 1    8   22   12 o   25.088   6.8789   5.4956   2.7888   5.4744   3.8973   5.5178   3.9924   25.206   8.4056   25.322   8.5085 -0.1167297 11.96027 
1 1 1    8   22   13 o   23.100   6.9508   4.6431   2.7246   4.2943   3.8186   5.0049   3.8887   23.012   8.2839   24.245   8.3918 -1.232809 11.79178 
1 1 1    8   22   14 o   19.897   7.0112   3.1735   2.7215   0.7911   3.8295   5.6047   3.8684   17.997   7.6804   25.111   8.3743 -7.113579 11.36300 
1 1 1    8   22   15 o   21.518   7.0740   4.0040   2.7632   10.382   3.9163  -2.3186   3.8992   33.759   7.5785   15.028   6.9624 18.73060 10.29121 
1 1 1    8   22   16 o   26.029   6.6442   6.1011   2.7229   9.1211   3.9332   3.3218   3.7732   31.162   8.0019   20.978   8.0945 10.18413 11.38207 
1 1 1    8   22   17 o   16.400   6.5766   1.5621   2.5764  -0.3140   3.6046   3.5217   3.6838   15.978   7.1167   20.960   8.0209 -4.981438 10.72297 
1 1 1    8   22   18 o   18.823   6.7314   3.0078   2.5168   1.2548   3.5229   4.8353   3.5970   17.374   7.3888   22.728   8.0557 -5.354649 10.93113 
1 1 1    8   22   19 o   15.703   6.4356   1.4495   2.5296   0.3057   3.5320   2.6539   3.6245   15.952   7.0784   18.879   7.7164 -2.926865 10.47124 
1 1 1    8   22   20 o   23.976   6.9376   5.8220   2.7586  -0.3492   4.0213   11.307   3.7912   15.711   7.2030   33.211   7.4573 -17.50030 10.36799 
1 1 1    8   22   21 o   12.351   5.7063  -0.8637   2.5927  -1.6263   3.7688  -0.1785   3.5723   13.947   6.5838   14.791   6.7841 -0.8436832 9.453595 
1 1 1    8   22   22 o   24.159   6.9834   6.3934   2.7965   6.8142   3.8144   5.9044   4.1120   23.263   8.2904   21.586   8.4165 1.676992 11.81388 
1 1 1    8   22   23 o   9.5308   4.7422  -5.2108   2.7881  -7.9699   3.9186  -2.3821   3.9678   10.651   5.3470   13.281   6.4004 -2.630507 8.339990 
1 1 1    8   22   24 o   11.323   5.4721  -2.2694   2.9501   1.0295   4.1364  -5.6849   4.2088   15.225   7.0933   11.664   5.8074 3.560361 9.167354 
1 1 1    8   22   25 o   10.157   4.9483  -2.1995   2.5446  -6.6331   3.5361   2.5622   3.6646   9.8229   4.9507   15.133   6.9146 -5.309780 8.504194 
1 1 1    8   23    0 o   19.756   11.387   4.3039   5.6776   4.3039   5.6776   4.3039   5.6776   19.756   11.387   19.756   11.387 -0.000000 0.000000 
1 1 1    8   23    1 o   38.153   6.9743   12.293   4.0219   13.683   5.6328   10.847   5.7446   39.410   9.2649   34.942   9.9807 4.467644 13.61807 
1 1 1    8   23    2 o   16.608   7.2650  -0.4481   3.5983  -2.4118   5.2727   1.2636   4.9228   18.405   8.3651   21.106   8.8420 -2.701183 12.17190 
1 1 1    8   23    3 o   23.975   7.5960   4.7650   3.2049   3.8170   4.7068   5.5844   4.3760   23.877   9.0836   26.198   8.9074 -2.320436 12.72221 
1 1 1    8   23    4 o   15.583   6.6824   0.0755   2.9247   5.1898   4.0943  -5.2539   4.1795   25.306   8.6158   14.027   6.7092 11.27969 10.91997 
1 1 1    8   23    5 o   19.704   7.2281   2.7212   2.9261   0.0880   4.0715   5.5343   4.2082   18.157   7.8365   25.907   8.7356 -7.749550 11.73544 
1 1 1    8   23    6 o   13.759   6.2251  -1.3360   2.8798  -6.1828   4.0552   3.5947   4.0902   13.148   6.3686   22.659   8.5015 -9.511035 10.62235 
1 1 1    8   23    7 o   20.668   7.1839   3.3230   2.8512   4.3639   3.9676   2.2114   4.1000   23.650   8.4523   20.653   8.2915 2.997496 11.84022 
1 1 1    8   23    8 o   15.100   6.5225  -0.0177   2.8253   0.2169   3.8855  -0.2809   4.1155   17.770   7.6623   17.708   7.7572 0.6216049E-01 10.90343 
1 1 1    8   23    9 o   37.425   5.2195   11.639   2.9822   12.138   4.1043   11.081   4.3406   37.331   7.2675   35.279   8.0222 2.051723 10.82462 
1 1 1    8   23   10 f   16.205   6.7666   0.7844   2.8691   1.5936   3.9661  -0.1040   4.1557   19.395   8.0147   17.823   7.8017 1.571259 11.18490 
1 1 1    8   23   11 o   17.691   6.9590   1.8360   2.8320   1.8842   3.9978   1.7875   4.0124   19.716   8.0865   19.617   8.0795 0.9891510E-01 11.43105 
1 1 1    8   23   12 o   36.289   5.3014   11.097   2.9300   13.534   4.1030   8.5614   4.1854   39.280   6.9084   30.381   8.4647 8.898460 10.92598 
1 1 1    8   23   13 o   15.173   6.5503   0.1923   2.8462  -0.2366   4.0316   0.6185   4.0187   17.187   7.5976   18.054   7.7887 -0.8667278 10.88063 
1 1 1    8   23   14 o   13.581   6.1392  -0.9839   2.7938   0.4702   3.9857  -2.3884   3.9173   17.707   7.6974   14.944   6.9422 2.763563 10.36549 
1 1 1    8   23   15 o   14.503   6.3829  -0.1636   2.8159   0.3196   3.9649  -0.6554   3.9999   17.381   7.6139   16.488   7.4087 0.8933220 10.62361 
1 1 1    8   23   16 o   37.493   5.5888   12.253   3.1880   10.418   4.5271   14.059   4.4902   32.268   8.7302   38.612   7.6806 -6.343697 11.62791 
1 1 1    8   23   17 o   19.356   7.2639   3.1494   2.9863   1.5861   4.2072   4.7368   4.2395   18.604   7.9970   22.586   8.6140 -3.981974 11.75387 
1 1 1    8   23   18 o   15.763   6.8025   0.9336   3.0675  -3.1135   4.3400   4.9735   4.3361   14.494   6.9063   22.215   8.6483 -7.721329 11.06752 
1 1 1    8   23   19 o   12.904   5.9366  -0.8532   2.7640  -1.1186   3.8768  -0.5789   3.9418   14.758   6.8729   15.289   7.0539 -0.5312891 9.848541 
1 1 1    8   23   20 o   16.406   6.7342   2.1895   2.7751   4.2844   3.8873   0.0123   3.9630   19.880   8.0409   15.410   7.0964 4.470022 10.72453 
1 1 1    8   23   21 o   19.833   7.0598   4.3591   2.7652   2.0310   3.8606   6.8117   3.9626   16.782   7.4258   22.932   8.4115 -6.149939 11.22031 
1 1 1    8   23   22 o   16.091   6.6333   2.3703   2.7078   5.8659   3.8442  -1.0720   3.8148   21.127   8.1654   13.855   6.5650 7.272349 10.47724 
1 1 1    8   23   23 o   13.516   6.0013   0.9326   2.5431  -0.9430   3.4438   3.1822   3.7715   13.013   6.1868   16.915   7.4174 -3.901705 9.658890 
1 1 1    8   23   24 o   15.808   6.7055   3.2081   2.8885   5.7651   3.9926   0.4000   4.1840   18.186   7.8035   13.783   6.6242 4.403647 10.23593 
1 1 1    8   24    0 o   63.007   4.3757   31.983   4.2778   31.983   4.2778   31.983   4.2778   63.007   4.3757   63.007   4.3757 -0.000000 0.000000 
1 1 1    8   24    1 o   15.329   6.5073   0.3207   2.7239   2.7127   3.8056  -2.1921   3.9005   20.884   8.1098   15.492   7.0994 5.392022 10.77819 
1 1 1    8   24    2 o   17.651   6.8496   1.8243   2.7134   1.9153   3.7815   1.7278   3.8957   19.702   7.9444   19.648   8.0115 0.5478096E-01 11.28262 
1 1 1    8   24    3 o   30.955   5.9735   8.1207   2.7967   9.4186   3.9255   6.7829   3.9854   32.716   7.7634   27.780   8.4169 4.935595 11.45052 
1 1 1    8   24    4 o   12.771   5.8680  -1.7141   2.6891  -0.8013   3.7027  -2.7330   3.9117   16.283   7.2352   15.029   6.9663 1.254773 10.04376 
1 1 1    8   24    5 o   39.676   4.8233   12.949   2.9415   12.965   4.1083   12.932   4.2136   38.765   7.0113   38.613   7.2190 0.1516457 10.06339 
1 1 1    8   24    6 o   26.156   6.7713   5.9671   2.8009   8.1744   3.9791   3.7993   3.9433   30.165   8.1947   22.504   8.3666 7.661066 11.71123 
1 1 1    8   24    7 o   13.990   6.2335  -0.7353   2.7682  -4.4738   3.7440   3.7723   4.1112   13.291   6.3554   22.573   8.5117 -9.282192 10.62261 
1 1 1    8   24    8 o   40.924   4.7841   13.838   3.0146   12.197   4.2259   15.539   4.3016   37.078   7.5202   42.453   6.6771 -5.374840 10.05672 
1 1 1    8   24    9 o   16.316   6.8544   0.7722   2.9713   5.8621   4.3450  -3.6990   4.0723   25.770   8.8727   14.498   6.8439 11.27151 11.20556 
1 1 1    8   24   10 o   13.435   6.2137  -1.9864   3.0859  -9.8462   4.3617   5.8911   4.3666   11.920   5.9310   25.684   8.8924 -13.76419 10.68885 
1 1 1    8   24   11 o   13.522   6.3364  -2.7042   3.3793  -4.3846   4.6771  -0.8688   4.8879   15.218   7.2278   18.144   8.1683 -2.926296 10.90700 
1 1 1    8   24   12 o   35.004   6.1055   10.697   3.2320   5.9342   4.5023   15.762   4.6424   25.448   9.0133   41.786   7.3476 -16.33841 11.62870 
1 1 1    8   24   13 f   13.818   6.2064  -0.7353   2.8034  -0.6517   4.0590  -0.8115   3.8764   16.617   7.4653   16.117   7.2633 0.4999599 10.41570 
1 1 1    8   24   14 o   16.892   6.7467   1.7570   2.7002   0.0545   3.8109   3.4733   3.8264   16.693   7.3825   20.935   8.1313 -4.242796 10.98269 
1 1 1    8   24   15 o   16.152   6.7011   1.2774   2.7878   6.1110   3.9250  -3.6433   3.9602   24.891   8.4363   13.815   6.5869 11.07553 10.70325 
1 1 1    8   24   16 o   19.467   7.0744   3.3871   2.7932  -1.8088   3.9103   8.8010   3.9915   14.806   6.8976   29.137   8.3185 -14.33120 10.80623 
1 1 1    8   24   17 o   16.348   6.7503   1.7598   2.8104  -0.2439   3.9865   3.7395   3.9625   15.849   7.2304   20.133   8.1271 -4.283841 10.87794 
1 1 1    8   24   18 o   12.348   5.7487  -1.2133   2.7089  -0.9198   3.7869  -1.5208   3.8766   14.627   6.8055   14.315   6.7327 0.3118906 9.573101 
1 1 1    8   24   19 o   16.287   6.6703   2.2256   2.7151   0.6859   3.8484   3.7515   3.8312   15.708   7.1422   18.976   7.8628 -3.267641 10.62232 
1 1 1    8   24   20 o   13.461   6.2399  -0.4507   3.1392  -3.0250   4.5416   1.9042   4.3439   13.799   6.6972   16.885   7.6417 -3.086057 10.16112 
1 1 1    8   24   21 o   10.621   5.1051  -2.1609   2.4866  -1.9735   3.5308  -2.3453   3.5024   12.756   6.1189   12.472   6.0111 0.2840109 8.577532 
1 1 1    8   24   22 o   15.608   6.4107   2.5048   2.5170   4.2407   3.5675   0.7841   3.5518   17.997   7.5323   14.378   6.6553 3.619153 10.05133 
1 1 1    8   24   23 o   12.174   5.5992   0.4581   2.4561   2.1095   3.4608  -1.2175   3.4861   14.547   6.6741   12.129   5.8823 2.417549 8.896295 
1 1 1    8   25    0 o   8.4893   6.1022  -6.3633   3.9437  -6.3633   3.9437  -6.3633   3.9437   8.4893   6.1022   8.4893   6.1022 0.000000 0.000000 
1 1 1    8   25    1 o   14.001   6.3204  -1.1441   2.9493  -3.7450   4.0654   1.7456   4.2853   14.521   6.8495   20.062   8.3145 -5.541762 10.77251 
1 1 1    8   25    2 o   40.017   5.4756   13.424   3.3486   13.468   4.6469   13.377   4.8295   38.833   7.8946   38.498   8.2424 0.3350220 11.41320 
1 1 1    8   25    3 o   27.118   7.3500   6.5439   3.2054   2.7872   4.4399   10.633   4.6324   21.526   8.6330   33.987   8.6614 -12.46160 12.22902 
1 1 1    8   25    4 o   38.643   5.7807   12.653   3.3980   9.9797   4.6476   15.724   4.9807   32.780   8.8358   41.967   7.8513 -9.186920 11.82003 
1 1 1    8   25    5 o   22.009   7.6031   4.0376   3.1914   2.3029   4.4533   5.8690   4.5759   20.847   8.5409   25.881   9.0936 -5.033110 12.47563 
1 1 1    8   25    6 o   37.860   5.8310   12.225   3.3533   14.396   5.0828   10.553   4.4622   39.561   8.4444   33.743   8.4470 5.817963 11.94401 
1 1 1    8   25    7 o   29.040   6.6005   7.4591   2.9395   7.4193   4.1030   7.5010   4.2133   28.250   8.5361   28.364   8.6665 -0.1137314 12.16442 
1 1 1    8   25    8 o   11.072   5.3555  -4.1150   2.8423  -2.8679   3.9439  -5.4628   4.1001   14.707   6.8766   13.360   6.4552 1.346713 9.431702 
1 1 1    8   25    9 o   30.651   6.2797   8.2793   2.9189   9.5710   4.1707   7.0392   4.0865   31.879   8.2678   27.338   8.5663 4.541176 11.90535 
1 1 1    8   25   10 o   16.501   6.7200   1.3742   2.7367  -2.2649   3.8726   5.0044   3.8680   14.903   6.9162   23.670   8.3570 -8.766955 10.84772 
1 1 1    8   25   11 o   26.341   6.6707   6.3076   2.7599   7.6736   3.8368   4.8429   3.9729   28.304   8.1793   23.307   8.4416 4.997749 11.75426 
1 1 1    8   25   12 o   25.716   6.7191   6.0869   2.7410   8.4598   3.8473   3.6410   3.9061   29.545   8.0709   21.228   8.2236 8.317165 11.52246 
1 1 1    8   25   13 o   18.521   6.9595   2.7461   2.7432   4.1801   3.8599   1.2826   3.8994   21.764   8.2383   17.976   7.7126 3.787563 11.28514 
1 1 1    8   25   14 o   18.532   6.9300   2.8781   2.7131   3.0293   3.8338   2.7264   3.8400   19.780   7.9907   19.385   7.9351 0.3950806 11.26129 
1 1 1    8   25   15 o   10.031   4.9319  -4.6216   2.7066  -5.1026   3.8237  -4.1385   3.8318   12.333   6.0210   12.884   6.2289 -0.5516930 8.663251 
1 1 1    8   25   16 o   11.601   5.4804  -1.9035   2.6210   0.8289   3.6973  -4.6638   3.7161   16.208   7.2141   12.162   5.9372 4.046333 9.343138 
1 1 1    8   25   17 o   10.662   5.1502  -2.8689   2.6068  -3.2483   3.6766  -2.4854   3.6966   12.675   6.1211   13.189   6.3089 -0.5144119 8.790364 
1 1 1    8   25   18 o   16.316   6.8294   2.2299   2.9332   3.4275   3.9937   0.8272   4.3222   18.388   7.8450   16.139   7.4243 2.248777 10.80115 
1 1 1    8   25   19 o   13.985   6.2366   0.7099   2.7770   0.6121   3.9376   0.8068   3.9171   15.307   7.0578   15.448   7.0922 -0.1406803 10.00557 
1 1 1    8   25   20 o   13.800   6.2194   0.6473   2.8424   2.1719   3.8240  -1.2351   4.2491   16.290   7.2877   14.077   6.7418 2.213030 9.927875 
1 1 1    8   25   21 o   11.999   5.6353  -0.5403   2.6994  -1.5646   3.8136   0.4882   3.8214   12.830   6.2055   14.177   6.6731 -1.347030 9.112597 
1 1 1    8   25   22 o   12.476   5.8324   0.4257   2.8351  -1.9820   4.1626   2.5090   3.8721   12.310   6.0649   14.809   6.8874 -2.498964 9.177123 
1 1 1    8   26    0 o   11.155   7.5149  -1.2094   3.7825  -1.2094   3.7825  -1.2094   3.7825   11.155   7.5149   11.155   7.5149 -0.000000 0.000000 
1 1 1    8   26    1 o   24.496   7.0349   5.3708   2.8465   8.5647   3.8936   1.7039   4.1720   30.415   8.0377   19.539   8.1594 10.87594 11.45341 
1 1 1    8   26    2 o   24.912   6.8867   5.5549   2.7823   6.7732   3.9706   4.3796   3.8998   27.029   8.4401   22.916   8.3544 4.112959 11.87560 
1 1 1    8   26    3 o   19.045   7.2178   2.6218   2.9649   1.8143   4.1663   3.4503   4.2202   19.621   8.1706   21.793   8.5180 -2.171305 11.80317 
1 1 1    8   26    4 o   23.603   7.4643   4.9885   3.0959  -1.1585   4.1967   12.328   4.5858   16.590   7.5094   36.386   8.2251 -19.79528 11.13745 
1 1 1    8   26    5 o   23.536   7.3671   4.9816   3.0233   6.1384   4.2799   3.8294   4.2713   25.781   8.8083   22.268   8.6068 3.513094 12.31519 
1 1 1    8   26    6 o   21.354   7.9385   3.6979   3.5500   1.2066   4.9387   6.3615   5.1065   19.921   8.6143   26.189   9.5579 -6.268110 12.86701 
1 1 1    8   26    7 o   14.438   6.4520  -0.5946   2.9886   2.1634   4.2296  -3.3448   4.2236   19.901   8.2551   14.822   6.9884 5.078952 10.81595 
1 1 1    8   26    8 o   10.607   5.2036  -5.2510   2.9600  -8.1138   4.1427  -2.2653   4.2308   12.010   5.9416   15.562   7.2245 -3.552498 9.353959 
1 1 1    8   26    9 o   26.025   6.9424   6.2617   2.8876   8.0433   4.0141   4.3511   4.1570   28.693   8.3880   22.507   8.5427 6.185272 11.97231 
1 1 1    8   26   10 o   17.419   6.9089   2.0224   2.8123   6.1652   3.9359  -2.2990   4.0199   25.131   8.4481   14.940   6.9714 10.19115 10.95310 
1 1 1    8   26   11 f   10.845   5.2453  -3.6721   2.7245  -3.1496   3.8532  -4.1945   3.8528   13.890   6.5864   13.210   6.3510 0.6791782 9.149638 
1 1 1    8   26   12 o   14.472   6.3438   0.2119   2.7564  -3.1208   3.8899   3.5729   3.9063   13.850   6.5821   20.531   8.1427 -6.680835 10.47030 
1 1 1    8   26   13 o   18.492   6.9777   3.0171   2.7639  -2.7897   3.8802   8.9988   3.9381   13.832   6.5737   29.025   8.2549 -15.19307 10.55255 
1 1 1    8   26   14 o   12.736   5.8671  -0.9282   2.7127  -0.0089   3.8306  -1.8531   3.8421   15.642   7.1171   14.178   6.6788 1.463775 9.760131 
1 1 1    8   26   15 o   20.688   7.0054   4.5074   2.7064   4.1769   3.8527   4.8293   3.8026   19.896   8.0201   20.814   8.0998 -0.9176598 11.39868 
1 1 1    8   26   16 o   14.059   6.2166   0.6658   2.7010  -1.1890   3.8403   2.4816   3.7996   14.120   6.6594   17.353   7.5297 -3.233171 10.05209 
1 1 1    8   26   17 o   22.877   6.8996   5.8496   2.6824   10.792   3.8322   1.1024   3.7559   29.957   8.0006   15.616   7.0825 14.34158 10.68510 
1 1 1    8   26   18 f   32.182   6.3164   10.836   3.0760   13.463   4.6542   8.7989   4.0989   31.395   8.9888   25.111   8.6188 6.283905 12.45321 
1 1 1    8   26   19 f   11.074   5.3433  -2.2126   2.7865  -1.7130   3.9451  -2.7100   3.9363   13.245   6.3825   12.671   6.1689 0.5740108 8.876495 
1 1 1    8   26   20 o   9.6616   4.7792  -3.6529   2.6772  -2.0751   3.7369  -5.3167   3.8373   12.218   5.9624   10.882   5.4377 1.336324 8.069618 
1 1 1    8   26   21 o   13.835   6.1660   2.0378   2.7099  -0.1062   3.8583   4.1251   3.8070   12.804   6.2047   15.884   7.1746 -3.079741 9.485418 
1 1 1    8   27    0 o   17.002   9.7109   3.5990   4.0742   3.5990   4.0742   3.5990   4.0742   17.002   9.7109   17.002   9.7109 -0.000000 0.000000 
1 1 1    8   27    1 f   12.848   5.9290  -1.6151   2.7872  -1.3916   3.8838  -1.8524   4.0023   15.585   7.1202   15.439   7.1175 0.1462564 10.06756 
1 1 1    8   27    2 o   31.961   6.0458   9.0141   2.9213   10.408   4.1335   7.6235   4.1291   33.095   8.0396   28.023   8.5827 5.071978 11.76001 
1 1 1    8   27    3 o   22.541   7.2099   4.6127   2.8817   4.3075   4.0912   4.9132   4.0598   22.502   8.4897   23.409   8.5255 -0.9069843 12.03154 
1 1 1    8   27    4 o   28.638   7.0792   7.5881   3.1632   3.2539   4.6825   11.226   4.2901   21.537   8.7829   34.250   8.1082 -12.71239 11.95335 
1 1 1    8   27    5 o   24.432   7.1794   5.5533   2.9341   7.5174   4.1655   3.6190   4.1337   27.612   8.6481   21.424   8.4136 6.187988 12.06554 
1 1 1    8   27    6 o   15.454   6.7216   0.3190   3.0430  -0.0120   4.0311   0.7575   4.6395   16.954   7.5403   18.648   8.2005 -1.693481 11.14019 
1 1 1    8   27    7 o   18.634   7.1040   2.7195   2.8828   5.1217   4.1097   0.3926   4.0447   23.332   8.5649   17.274   7.6240 6.058029 11.46665 
1 1 1    8   27    8 o   20.533   7.1537   3.8112   2.8281   5.1185   3.9924   2.4944   4.0067   23.148   8.4508   19.460   8.0499 3.688702 11.67119 
1 1 1    8   27    9 o   14.972   6.4817   0.5052   2.8023   4.2153   3.9543  -3.2382   3.9720   21.551   8.2940   13.971   6.6430 7.579643 10.62640 
1 1 1    8   27   10 o   11.249   5.4022  -3.1008   2.7710  -4.7518   3.8503  -1.3270   3.9909   12.677   6.1557   15.237   7.0538 -2.560365 9.362074 
1 1 1    8   27   11 o   10.466   5.1129  -4.1045   2.7695  -0.5665   3.9000  -7.7038   3.9336   15.447   7.0862   11.296   5.6227 4.150081 9.045937 
1 1 1    8   27   12 o   14.488   6.3557   0.5826   2.7717   0.5342   3.9200   0.6310   3.9195   16.188   7.2990   16.277   7.3224 -0.8905411E-01 10.33889 
1 1 1    8   27   13 o   13.885   6.2766   0.0020   2.9206   0.8886   4.1138  -0.8989   4.1471   16.420   7.4333   15.028   7.0348 1.391325 10.23436 
1 1 1    8   27   14 f   13.517   6.2371  -0.4557   3.0838   2.1283   4.2127  -3.4390   4.5265   17.282   7.6958   13.750   6.6763 3.532164 10.18813 
1 1 1    8   27   15 o   12.288   5.8552  -1.8202   3.1193  -0.2003   4.3504  -3.5344   4.4751   15.210   7.1469   13.414   6.5412 1.796301 9.688425 
1 1 1    8   27   16 o   9.5625   4.7628  -5.2891   2.8414  -4.8665   4.0006  -5.7193   4.0364   11.937   5.8932   11.625   5.7710 0.3120565 8.248348 
1 1 1    8   27   17 o   10.445   5.1189  -3.4572   2.8422  -2.7513   3.9879  -4.1860   4.0519   12.809   6.2301   12.183   5.9987 0.6253567 8.648549 
1 1 1    8   27   18 o   12.310   5.8096  -0.6709   2.9310  -0.9397   4.0088  -0.3622   4.2961   13.498   6.4866   14.125   6.7685 -0.6263132 9.374848 
1 1 1    8   27   19 o   12.625   5.9538   0.2033   3.0679  -1.3776   4.3442   1.7761   4.3332   12.856   6.3060   14.569   6.9303 -1.713249 9.369885 
1 1 1    8   27   20 o   13.836   6.2579   2.2271   2.9077   0.7475   4.2314   3.5509   4.0024   13.229   6.4306   14.966   6.9744 -1.737224 9.486521 
1 1 1    8   28    0 o   14.143   8.8638   1.7126   4.0739   1.7126   4.0739   1.7126   4.0739   14.143   8.8638   14.143   8.8638 -0.000000 0.000000 
1 1 1    8   28    1 f   15.554   6.6528   0.7502   2.8850   3.6299   4.1080  -2.0523   4.0525   21.037   8.3480   15.076   7.0229 5.961005 10.90918 
1 1 1    8   28    2 o   16.821   6.8697   1.6709   2.8698   0.5505   4.0602   2.7894   4.0569   17.348   7.6485   19.869   8.1473 -2.520952 11.17487 
1 1 1    8   28    3 o   10.843   5.2698  -4.1052   2.8387  -4.7958   3.9943  -3.4006   4.0349   13.118   6.3461   14.051   6.6851 -0.9336243 9.217576 
1 1 1    8   28    4 o   12.138   5.7597  -2.6751   2.9563  -3.3001   4.3542  -2.1405   4.0268   14.688   6.9755   14.873   6.9524 -0.1855545 9.848470 
1 1 1    8   28    5 o   11.090   5.3695  -3.8013   2.8747  -5.0821   4.0794  -2.5379   4.0516   13.055   6.3388   14.575   6.8638 -1.520065 9.343036 
1 1 1    8   28    6 o   21.299   7.4836   4.3484   3.0990   10.404   4.3671  -1.7934   4.3982   31.350   8.6130   15.625   7.2914 15.72453 11.28486 
1 1 1    8   28    7 o   10.379   5.1310  -5.7077   3.0702  -7.6616   4.3611  -3.7878   4.3230   12.227   6.0575   14.061   6.7515 -1.833744 9.070598 
1 1 1    8   28    8 o   13.015   6.1234  -1.9419   3.2119  -1.1892   4.5814  -2.6695   4.5042   15.962   7.4461   14.864   7.0693 1.097710 10.26741 
1 1 1    8   28    9 o   14.660   6.5311   0.3164   3.0375   3.0962   4.2238  -2.6609   4.3713   19.149   8.1150   14.477   6.9074 4.671782 10.65668 
1 1 1    8   28   10 o   15.433   6.7013   1.1599   3.0139   4.3175   4.1992  -2.1949   4.3284   20.241   8.2932   14.508   6.9084 5.733122 10.79364 
1 1 1    8   28   11 o   11.459   5.5222  -2.8133   2.9529  -1.1741   4.1500  -4.4942   4.2025   14.698   6.9294   12.834   6.2758 1.864401 9.348887 
1 1 1    8   28   12 o   12.525   5.8669  -1.1011   2.8926  -1.2129   4.0954  -0.9899   4.0861   14.370   6.8073   14.510   6.8513 -0.1394434 9.658107 
1 1 1    8   28   13 o   18.688   7.1382   3.9192   2.9140   0.8359   4.2318   6.6996   4.0185   15.779   7.2900   22.264   8.4108 -6.485076 11.13038 
1 1 1    8   28   14 o   12.534   5.8170  -0.5037   2.7402  -6.9377   3.8419   6.1586   3.9094   10.796   5.4019   21.217   8.2250 -10.42037 9.840234 
1 1 1    8   28   15 o   9.2873   4.6257  -4.9578   2.6803  -4.5363   3.8031  -5.3737   3.7779   11.637   5.7453   11.224   5.5738 0.4130640 8.004734 
1 1 1    8   28   16 o   21.498   6.9960   5.7137   2.7057   3.5271   3.8078   7.9439   3.8455   17.123   7.4823   23.044   8.3107 -5.920124 11.18269 
1 1 1    8   28   17 o   15.512   6.5201   2.8510   2.6907   3.0771   3.7969   2.6228   3.8136   15.784   7.1437   15.380   7.0374 0.4038486 10.02783 
1 1 1    8   28   18 f   14.355   6.2404   2.5114   2.6201   6.0008   3.6812  -1.0712   3.7300   17.902   7.5807   12.120   5.9237 5.781537 9.620667 
1 1 1    8   29    0 f   12.968   8.6501   0.1357   4.7934   0.1357   4.7934   0.1357   4.7934   12.968   8.6501   12.968   8.6501 0.000000 0.000000 
1 1 1    8   29    1 o   27.301   8.0040   7.9882   3.6504   6.8452   5.3502   8.9838   4.9933   24.151   9.5449   27.244   9.5047 -3.092865 13.47015 
1 1 1    8   29    2 o   15.789   7.0027   0.5952   3.4529  -2.6071   4.8171   3.9796   4.9521   15.357   7.3058   20.801   8.7997 -5.443737 11.43715 
1 1 1    8   29    3 o   16.241   7.0763   1.1505   3.3846   0.1819   4.7963   2.1113   4.7770   17.148   7.8636   18.745   8.2790 -1.597214 11.41835 
1 1 1    8   29    4 f   14.598   6.5931  -0.0549   3.2141   2.6764   4.7174  -2.4215   4.3911   19.093   8.3358   14.684   6.9827 4.408971 10.87401 
1 1 1    8   29    5 o   12.293   5.8401  -2.2360   3.0566  -1.3143   4.3221  -3.1582   4.3232   15.210   7.1396   14.035   6.7422 1.175360 9.819973 
1 1 1    8   29    6 o   13.342   6.1711  -0.8656   3.0450   1.9239   4.2879  -3.7036   4.3250   17.689   7.8267   13.634   6.5976 4.055427 10.23653 
1 1 1    8   29    7 f   16.638   6.9700   2.1486   3.0590   3.2278   4.3311   1.0744   4.3210   18.801   8.0982   16.744   7.5953 2.057119 11.10263 
1 1 1    8   29    8 o   11.923   5.7050  -2.3247   3.0271  -1.4478   4.2757  -3.2059   4.2862   14.615   6.9328   13.581   6.5709 1.034968 9.551959 
1 1 1    8   29    9 o   11.878   5.7389  -2.8740   3.2404  -4.1754   4.2559  -1.0788   4.9986   12.892   6.3068   15.497   7.3917 -2.604002 9.716615 
1 1 1    8   29   10 o   13.634   6.2513  -0.0021   3.0296   3.2082   4.3023  -3.1599   4.2670   17.929   7.8901   13.278   6.4553 4.650652 10.19435 
1 1 1    8   29   11 o   11.760   5.6367  -2.0309   2.9838  -4.7140   4.1858   0.7410   4.2544   12.287   6.0590   15.556   7.2295 -3.268964 9.432790 
1 1 1    8   29   12 f   15.492   6.7098   1.9611   3.0058   1.4254   4.2790   2.4829   4.2231   15.920   7.3465   16.767   7.5665 -0.8469715 10.54624 
1 1 1    8   29   13 o   11.695   5.6092  -1.8284   2.9647   1.0237   4.1805  -4.7138   4.2050   15.341   7.1421   12.104   5.9877 3.237639 9.319965 
1 1 1    8   29   14 o   15.815   6.9693   2.4676   3.3673  -4.9348   4.5049   11.839   5.0689   12.213   6.0686   25.561   9.4891 -13.34762 11.26373 
1 1 1    8   29   15 o   9.8302   4.9016  -4.6794   3.0449  -0.3362   4.3125  -8.9969   4.2997   13.663   6.6059   10.299   5.2213 3.363716 8.420141 
1 1 1    8   29   16 o   9.1846   4.6226  -5.5403   3.0258  -4.6862   4.2246  -6.4400   4.3360   11.143   5.5880   10.707   5.4069 0.4352846 7.775666 
1 1 1    8   29   17 o   12.975   6.0489   1.5227   3.0154   6.1743   4.1543  -3.6565   4.3836   16.687   7.5198   11.292   5.6670 5.394781 9.416103 
1 1 1    8   30    0 o   17.768   10.050   5.2209   4.3061   5.2209   4.3061   5.2209   4.3061   17.768   10.050   17.768   10.050 0.000000 0.000000 
1 1 1    8   30    1 f   11.531   5.5523  -2.6950   2.9720  -0.2845   4.1661  -5.1928   4.2410   15.252   7.1102   12.493   6.1483 2.759185 9.399846 
1 1 1    8   30    2 o   19.636   7.2793   4.2392   2.9809   4.2248   4.1510   4.2546   4.2835   19.484   8.1378   19.529   8.2187 -0.4484558E-01 11.56597 
1 1 1    8   30    3 o   11.423   5.4989  -2.5971   2.9097  -3.5213   4.1190  -1.6766   4.1110   13.063   6.3486   14.132   6.7305 -1.069673 9.252224 
1 1 1    8   30    4 o   18.000   7.1070   3.3698   2.9635   1.6335   4.1865   5.1135   4.1955   16.640   7.5192   20.334   8.3056 -3.694126 11.20357 
1 1 1    8   30    5 o   20.893   7.2767   5.0551   2.9261   8.0805   4.1392   2.0330   4.1370   24.442   8.6436   16.839   7.5531 7.602964 11.47874 
1 1 1    8   30    6 o   14.015   6.3259   0.5132   2.9533  -1.1921   4.1472   2.2677   4.2066   14.232   6.7729   16.949   7.6084 -2.716883 10.18624 
1 1 1    8   30    7 o   15.368   6.6939   1.7149   3.0268   7.3001   4.4302  -3.1744   4.1451   22.348   8.7296   12.984   6.3235 9.364574 10.77928 
1 1 1    8   30    8 o   15.123   6.6841   1.5262   3.1190   1.0549   4.3713   2.0150   4.4515   15.770   7.3286   16.562   7.5879 -0.7921934 10.54915 
1 1 1    8   30    9 o   10.597   5.2487  -4.7846   3.2686  -3.3456   4.3081  -6.7365   5.0175   12.943   6.3344   12.481   6.2339 0.4620667 8.887424 
1 1 1    8   30   10 o   14.651   6.6536   1.0889   3.3280   2.3618   4.3780  -0.6536   5.1220   16.493   7.5443   15.030   7.2505 1.462268 10.46350 
1 1 1    8   30   11 o   15.258   6.7730   1.9303   3.2372   0.9074   4.5290   2.9988   4.6288   15.278   7.2137   16.816   7.7166 -1.538176 10.56328 
1 1 1    8   30   12 o   14.647   6.5629   1.7165   3.1142  -1.6693   4.2779   5.5338   4.5422   13.248   6.4456   18.521   8.1303 -5.273087 10.37533 
1 1 1    8   30   13 o   10.972   5.3723  -2.4573   3.1091  -2.5497   4.3031  -2.3563   4.4971   12.405   6.1218   12.671   6.2543 -0.2668180 8.751741 
1 1 1    8   30   14 o   10.500   5.1735  -2.5290   3.0303   3.2365   4.2857  -8.2932   4.2852   14.949   7.0458   10.084   5.1227 4.865194 8.711246 
1 1 1    8   30   15 o   11.548   5.5585  -0.2073   2.9716   0.9101   4.3142  -1.2160   4.0990   13.042   6.3736   11.944   5.9090 1.098784 8.691296 
1 1 1    8   31    0 o   14.638   9.7040   3.0641   5.8769   3.0641   5.8769   3.0641   5.8769   14.638   9.7040   14.638   9.7040 -0.000000 0.000000 
1 1 1    8   31    1 o   21.964   8.5228   7.1063   4.2006   13.418   6.0509   1.2345   5.8360   26.543   10.248   16.681   7.9652 9.861383 12.97950 
1 1 1    8   31    2 f   13.566   6.4316  -0.8540   3.6704   5.3392   5.1135  -7.4365   5.2717   19.301   8.5430   12.573   6.2964 6.727523 10.61261 
1 1 1    8   31    3 o   14.388   6.7005   0.2629   3.6847  -3.5027   5.0916   4.4036   5.3392   13.774   6.7706   18.441   8.3954 -4.666924 10.78538 
1 1 1    8   31    4 o   16.519   6.9839   2.8173   3.1161   2.7961   4.5048   2.8368   4.3149   16.968   7.7198   16.939   7.6459 0.2892494E-01 10.86536 
1 1 1    8   31    5 o   16.950   7.0526   3.1820   3.1006   6.8516   4.4126  -0.3969   4.3577   21.035   8.5454   14.513   6.9168 6.521379 10.99388 
1 1 1    8   31    6 o   16.997   7.1023   3.2724   3.1641   5.3434   4.5193   1.2813   4.4313   19.116   8.2533   15.611   7.2958 3.505268 11.01568 
1 1 1    8   31    7 o   11.377   5.5120  -2.3577   3.0417  -0.8368   4.3594  -3.8005   4.2459   14.078   6.7651   12.433   6.1254 1.645217 9.126148 
1 1 1    8   31    8 o   11.062   5.3910  -2.6895   3.0255  -3.7079   4.2326  -1.6255   4.3264   12.347   6.0893   13.466   6.5357 -1.118453 8.932760 
1 1 1    8   31    9 o   12.011   5.7769  -1.4243   3.1946  -3.7388   4.1942   1.7741   4.9304   12.117   5.9915   15.548   7.3952 -3.431623 9.517660 
1 1 1    8   31   10 o   9.6311   4.7991  -4.4259   2.8984  -5.7209   3.9992  -2.9933   4.2064   10.845   5.4386   12.166   6.0128 -1.320334 8.107570 
1 1 1    8   31   11 o   13.213   6.0906   1.2792   2.9298  -1.7345   4.0429   4.6126   4.2519   12.184   5.9976   16.222   7.4258 -4.037868 9.545321 
1 1 1    8   31   12 o   14.382   6.3609   2.7991   2.8293   2.1218   3.9058   3.5469   4.1040   13.834   6.5803   14.818   6.9561 -0.9844809 9.575374 
1 1 1    8   31   13 o   10.494   5.1217  -1.2709   2.7596  -0.0553   3.8041  -2.6212   4.0093   12.142   5.9445   11.165   5.5760 0.9771004 8.150446 
1 1 1    8   32    0 o   11.994   8.0006   1.3211   4.1006   1.3211   4.1006   1.3211   4.1006   11.994   8.0006   11.994   8.0006 0.000000 0.000000 
1 1 1    8   32    1 o   16.473   6.8517   3.1904   2.9250   2.6448   4.0937   3.7594   4.1808   16.051   7.3244   17.053   7.6253 -1.001736 10.57314 
1 1 1    8   32    2 o   15.519   6.6656   2.5196   2.9187   0.9990   4.1387   4.0240   4.1166   14.760   6.9465   17.258   7.6507 -2.498218 10.33373 
1 1 1    8   32    3 o   15.741   6.7474   2.7349   2.9795   5.3965   4.1938   0.0221   4.2339   18.519   7.9726   14.118   6.7530 4.400440 10.44820 
1 1 1    8   32    4 o   10.431   5.1242  -3.1299   2.9023  -3.5994   4.1021  -2.6594   4.1068   12.009   5.9359   12.445   6.1098 -0.4355755 8.518452 
1 1 1    8   32    5 o   10.465   5.1639  -3.4498   3.0595  -3.3137   4.7477  -3.5464   4.0009   12.702   6.2977   11.796   5.8365 0.9058762 8.586376 
1 1 1    8   32    6 o   9.0606   4.5485  -5.3721   2.8341  -5.8075   3.9799  -4.9242   4.0368   10.734   5.3889   11.125   5.5620 -0.3906384 7.744452 
1 1 1    8   32    7 o   15.403   6.6212   3.1755   2.8841  -0.6124   4.0482   7.0798   4.1099   12.813   6.2424   18.911   8.0091 -6.097520 10.15442 
1 1 1    8   32    8 o   21.491   7.5132   7.5879   3.1210   6.5349   4.4065   8.6478   4.4210   17.295   7.7734   19.339   8.2527 -2.044718 11.33724 
1 1 1    8   32    9 o   13.669   6.3588   2.2284   3.3042   0.5400   4.3187   4.6122   5.1315   12.932   6.3318   15.024   7.2497 -2.091787 9.625522 
1 1 1    8   32   10 o   19.105   7.2876   6.7423   3.0347   5.4626   4.2614   8.0591   4.3225   15.498   7.2136   17.595   7.8177 -2.096921 10.63734 
1 1 1    8   33    0 o   7.6609   5.5919  -5.8365   4.0477  -5.8365   4.0477  -5.8365   4.0477   7.6609   5.5919   7.6609   5.5919 -0.000000 0.000000 
1 1 1    8   33    1 o   18.426   7.1261   5.7114   2.9293   1.9243   4.1833   9.3546   4.1031   13.770   6.6194   20.567   8.2814 -6.797011 10.60182 
1 1 1    8   33    2 o   8.3496   4.2350  -6.6310   2.8505  -3.8006   4.0128  -9.5138   4.0498   10.952   5.4856   9.3449   4.7687 1.606674 7.268525 
1 1 1    8   33    3 o   11.816   5.7367  -0.3796   3.3400   4.1786   4.8494  -4.4933   4.6069   14.849   7.1353   11.213   5.6514 3.635541 9.102294 
1 1 1    8   33    4 o   10.754   5.2503  -1.2510   2.9064   1.0161   4.1837  -3.3654   4.0405   12.975   6.3265   10.993   5.5063 1.981098 8.387098 
1 1 1    8   33    5 o   11.747   5.6668   0.1295   3.1305  -0.2037   4.1957   0.5479   4.7016   12.244   6.0431   12.773   6.3211 -0.5289440 8.745034 
1 1 1    8   33    6 o   12.374   5.8313   1.3198   2.9337   5.5024   4.1249  -2.9615   4.1733   15.408   7.1462   11.029   5.5344 4.378682 9.038735 
1 1 1    8   33    7 o   9.7152   4.8507  -3.1104   3.0257  -2.9987   4.2722  -3.2228   4.2860   11.007   5.5334   10.945   5.5076 0.6190491E-01 7.807230 
1 1 1    9    0    1 o   85.304   1.9790   57.196   2.6460   57.196   2.6460   57.196   2.6460   85.304   1.9790   85.304   1.9790 0.000000 0.000000 
1 1 1    9    0    2 f   97.620   2.2536   74.904   3.4482   74.904   3.4482   74.904   3.4482   97.620   2.2536   97.620   2.2536 -0.000000 0.000000 
1 1 1    9    0    3 o  210.802   1.8971  348.797   6.2748  348.797   6.2748  348.797   6.2748  210.802   1.8971  210.802   1.8971 -0.000000 0.000000 
1 1 1    9    0    4 o  963.484   5.1848  7289.28   78.389  7289.28   78.389  7289.28   78.389  963.484   5.1848  963.484   5.1848 -0.000000 0.000000 
1 1 1    9    0    5 o  469.364   2.8366  1729.10   20.892  1729.10   20.892  1729.10   20.892  469.364   2.8366  469.364   2.8366 -0.000000 0.000000 
1 1 1    9    0    6 o  368.274   2.4178  1064.45   13.972  1064.45   13.972  1064.45   13.972  368.274   2.4178  368.274   2.4178 -0.000000 0.000000 
1 1 1    9    0    7 o  802.097   5.0722  5050.98   63.840  5050.98   63.840  5050.98   63.840  802.097   5.0722  802.097   5.0722 -0.000000 0.000000 
1 1 1    9    0    8 f  133.757   1.8739  140.471   3.9318  140.471   3.9318  140.471   3.9318  133.757   1.8739  133.757   1.8739 0.000000 0.000000 
1 1 1    9    0    9 o  728.840   5.6970  4170.89   65.151  4170.89   65.151  4170.89   65.151  728.840   5.6970  728.840   5.6970 -0.000000 0.000000 
1 1 1    9    0   10 o  415.207   3.0193  1353.12   19.671  1353.12   19.671  1353.12   19.671  415.207   3.0193  415.207   3.0193 -0.000000 0.000000 
1 1 1    9    0   11 o  247.679   2.0056  481.474   7.7942  481.474   7.7942  481.474   7.7942  247.679   2.0056  247.679   2.0056 -0.000000 0.000000 
1 1 1    9    0   12 o  207.734   2.0571  338.734   6.7046  338.734   6.7046  338.734   6.7046  207.734   2.0571  207.734   2.0571 -0.000000 0.000000 
1 1 1    9    0   13 o   42.210   3.5032   14.271   2.2824   14.271   2.2824   14.271   2.2824   42.210   3.5032   42.210   3.5032 -0.000000 0.000000 
1 1 1    9    0   14 o  425.734   3.0529  1422.85   20.394  1422.85   20.394  1422.85   20.394  425.734   3.0529  425.734   3.0529 -0.000000 0.000000 
1 1 1    9    0   15 o   36.285   4.4921   10.806   2.4525   10.806   2.4525   10.806   2.4525   36.285   4.4921   36.285   4.4921 -0.000000 0.000000 
1 1 1    9    0   16 o   57.347   2.9854   26.031   2.6700   26.031   2.6700   26.031   2.6700   57.347   2.9854   57.347   2.9854 -0.000000 0.000000 
1 1 1    9    0   17 o  103.909   2.2379   84.885   3.6454   84.885   3.6454   84.885   3.6454  103.909   2.2379  103.909   2.2379 -0.000000 0.000000 
1 1 1    9    0   18 o   86.925   2.3894   59.469   3.2539   59.469   3.2539   59.469   3.2539   86.925   2.3894   86.925   2.3894 -0.000000 0.000000 
1 1 1    9    0   19 o   11.337   7.2812   0.0984   2.9517   0.0984   2.9517   0.0984   2.9517   11.337   7.2812   11.337   7.2812 -0.000000 0.000000 
1 1 1    9    0   20 o   35.434   4.8754   10.443   2.5652   10.443   2.5652   10.443   2.5652   35.434   4.8754   35.434   4.8754 -0.000000 0.000000 
1 1 1    9    0   21 o   62.105   2.8714   30.524   2.7849   30.524   2.7849   30.524   2.7849   62.105   2.8714   62.105   2.8714 -0.000000 0.000000 
1 1 1    9    0   22 o   5.5011   3.9967  -4.1068   1.9296  -4.1068   1.9296  -4.1068   1.9296   5.5011   3.9967   5.5011   3.9967 -0.000000 0.000000 
1 1 1    9    0   23 o   33.003   4.3191   9.0372   2.1309   9.0372   2.1309   9.0372   2.1309   33.003   4.3191   33.003   4.3191 0.000000 0.000000 
1 1 1    9    0   24 o   77.085   2.2418   46.873   2.7068   46.873   2.7068   46.873   2.7068   77.085   2.2418   77.085   2.2418 -0.000000 0.000000 
1 1 1    9    0   25 o   11.753   6.6963   1.4756   1.9305   1.4756   1.9305   1.4756   1.9305   11.753   6.6963   11.753   6.6963 -0.000000 0.000000 
1 1 1    9    0   26 o   57.460   2.6991   26.234   2.4215   26.234   2.4215   26.234   2.4215   57.460   2.6991   57.460   2.6991 -0.000000 0.000000 
1 1 1    9    0   27 o   21.483   7.4709   4.8957   2.2746   4.8957   2.2746   4.8957   2.2746   21.483   7.4709   21.483   7.4709 -0.000000 0.000000 
1 1 1    9    0   28 o   48.998   2.7602   19.196   2.1069   19.196   2.1069   19.196   2.1069   48.998   2.7602   48.998   2.7602 -0.000000 0.000000 
1 1 1    9    0   29 o   10.320   6.0207   1.1371   1.6174   1.1371   1.6174   1.1371   1.6174   10.320   6.0207   10.320   6.0207 0.000000 0.000000 
1 1 1    9    0   30 o   11.593   6.7550   1.5641   2.0320   1.5641   2.0320   1.5641   2.0320   11.593   6.7550   11.593   6.7550 -0.000000 0.000000 
1 1 1    9    0   31 o   13.285   8.6995   1.1592   4.5027   1.1592   4.5027   1.1592   4.5027   13.285   8.6995   13.285   8.6995 -0.000000 0.000000 
1 1 1    9    0   32 o   17.066   10.077   4.8201   4.6240   4.8201   4.6240   4.8201   4.6240   17.066   10.077   17.066   10.077 0.000000 0.000000 
1 1 1    9    0   33 o   36.136   9.5807   15.494   4.6939   15.494   4.6939   15.494   4.6939   36.136   9.5807   36.136   9.5807 -0.000000 0.000000 
1 1 1    9    1    0 o  114.443   2.6455  102.952   4.7455  102.952   4.7455  102.952   4.7455  114.443   2.6455  114.443   2.6455 -0.000000 0.000000 
1 1 1    9    1    1 o  346.921   1.7604  944.518   9.5840  962.792   14.853  931.481   12.545  350.223   2.7025  344.498   2.3205 5.724396 3.562042 
1 1 1    9    1    2 o  249.611   1.5717  488.943   6.1567  487.469   9.9201  489.867   7.8519  249.208   2.5366  249.836   2.0027 -0.6282043 3.231873 
1 1 1    9    1    3 o  178.748   1.3006  250.724   3.6483  257.375   5.2205  244.376   5.1007  181.095   1.8370  176.463   1.8419 4.632538 2.601348 
1 1 1    9    1    4 o  490.457   2.0731  1887.85   15.956  1861.75   22.282  1915.32   22.859  487.006   2.9155  493.960   2.9489 -6.953735 4.146862 
1 1 1    9    1    5 o  126.277   1.3066  125.130   2.5894  124.625   3.6477  125.643   3.6763  126.018   1.8445  126.531   1.8514 -0.5132294 2.613412 
1 1 1    9    1    6 o  423.993   1.8702  1410.76   12.444  1423.64   17.739  1398.29   17.460  425.895   2.6542  422.086   2.6360 3.808685 3.740715 
1 1 1    9    1    7 o  453.413   2.4775  1613.45   17.629  1603.16   27.741  1620.42   22.831  451.894   3.9119  454.359   3.2020 -2.465485 5.055223 
1 1 1    9    1    8 o  231.383   1.3940  420.113   5.0617  425.068   7.2005  415.272   7.1167  232.737   1.9715  230.039   1.9714 2.697647 2.788033 
1 1 1    9    1    9 o  256.479   1.6648  516.198   6.7009  522.565   8.3048  504.320   11.343  258.051   2.0508  253.491   2.8515 4.559433 3.512364 
1 1 1    9    1   10 o  233.167   1.7764  426.632   6.4998  423.930   9.1635  429.368   9.2211  232.416   2.5124  233.902   2.5121 -1.485718 3.552880 
1 1 1    9    1   11 o  124.098   1.3442  120.846   2.6177  114.247   3.6632  127.732   3.7420  120.657   1.9347  127.580   1.8690 -6.922974 2.690005 
1 1 1    9    1   12 o  190.316   1.3458  284.225   4.0193  285.126   5.6746  283.319   5.6937  190.610   1.8971  190.004   1.9095 0.6052399 2.691690 
1 1 1    9    1   13 o  373.940   1.8438  1097.37   10.820  1095.75   15.269  1099.01   15.334  373.632   2.6042  374.187   2.6114 -0.5551453 3.687977 
1 1 1    9    1   14 o   83.142   1.7156   54.251   2.2384   52.515   3.0776   56.200   3.2616   81.758   2.4013   84.578   2.4600 -2.819702 3.437737 
1 1 1    9    1   15 o  251.937   1.7077  498.185   6.7515  503.100   9.2097  492.473   9.9267  253.145   2.3183  250.444   2.5257 2.700806 3.428391 
1 1 1    9    1   16 o  128.102   1.5307  128.810   3.0772  127.216   4.3219  130.449   4.3824  127.283   2.1637  128.891   2.1666 -1.607407 3.062004 
1 1 1    9    1   17 o  128.568   1.5820  129.773   3.1920  128.679   4.3127  131.098   4.7467  127.994   2.1471  129.179   2.3415 -1.184868 3.176865 
1 1 1    9    1   18 o  150.469   1.5378  177.772   3.6314  175.939   5.0718  179.699   5.2017  149.644   2.1597  151.231   2.1918 -1.587448 3.077048 
1 1 1    9    1   19 o  154.919   1.5416  188.475   3.7480  185.198   5.2405  191.906   5.3625  153.503   2.1754  156.256   2.1869 -2.753754 3.084622 
1 1 1    9    1   20 o   84.801   1.9691   56.523   2.6204   54.805   3.6579   58.334   3.7556   83.383   2.7994   86.030   2.7854 -2.647507 3.949101 
1 1 1    9    1   21 o   12.823   5.2541   0.4623   1.6856  -0.1564   2.4095   1.0553   2.3590   14.036   6.0429   15.821   6.3104 -1.785420 8.737138 
1 1 1    9    1   22 o   26.824   3.9639   5.8229   1.6184   5.2454   2.3278   6.3632   2.2517   25.072   5.9970   27.768   5.3613 -2.695848 8.044140 
1 1 1    9    1   23 o   93.519   1.4867   68.755   2.1819   68.222   3.0970   69.280   3.0745   93.065   2.1206   93.789   2.0889 -0.7244263 2.976654 
1 1 1    9    1   24 o   35.780   2.7015   10.183   1.5056   10.612   2.1521   9.7711   2.1072   36.287   3.8372   34.782   3.9293 1.505806 5.492155 
1 1 1    9    1   25 o   78.701   1.5594   48.764   1.9259   49.367   2.7482   48.183   2.6997   79.018   2.2184   78.068   2.2059 0.9507370 3.128432 
1 1 1    9    1   26 o   10.490   4.6220  -0.3354   1.4805  -0.6819   2.1257  -0.0090   2.0633   12.200   5.4475   12.961   5.5861 -0.7610254 7.802597 
1 1 1    9    1   27 f   55.731   1.9860   24.596   1.7341   25.814   2.3502   23.141   2.5693   56.898   2.6393   53.717   3.0605 3.180759 4.041322 
1 1 1    9    1   28 o   25.603   3.6392   5.4112   1.4210   5.5894   2.0336   5.2411   1.9866   25.403   5.2738   24.568   5.3080 0.8356361 7.482520 
1 1 1    9    1   29 o   15.251   4.4755   2.0022   1.1409   0.2011   1.6455   3.6697   1.5832   11.716   5.0181   20.364   4.9931 -8.647986 7.078997 
1 1 1    9    1   30 o   15.107   5.1377   1.9652   1.4558   2.8684   2.0194   0.9879   2.1007   17.722   6.0505   13.982   5.8104 3.740082 8.388614 
1 1 1    9    1   31 o   10.045   4.8981  -3.5055   2.5086  -1.7229   3.5891  -5.2080   3.5076   13.676   6.4465   11.377   5.5979 2.298969 8.537829 
1 1 1    9    1   32 o   21.464   6.9109   4.9988   2.6445   8.4768   3.7408   1.5239   3.7391   26.509   8.1783   16.348   7.2668 10.16177 10.94031 
1 1 1    9    1   33 o   16.552   7.0074   3.0641   3.1443   7.1881   4.4762  -0.9529   4.4178   20.925   8.5667   14.032   6.7599 6.893376 10.91255 
1 1 1    9    2    0 f  158.992   2.3146  198.501   5.7724  198.501   5.7724  198.501   5.7724  158.992   2.3146  158.992   2.3146 0.000000 0.000000 
1 1 1    9    2    1 o  222.503   1.3617  388.499   4.7547  381.925   6.6622  395.323   6.7879  220.601   1.9244  224.438   1.9272 -3.836105 2.723543 
1 1 1    9    2    2 o  225.805   1.6551  400.135   5.8649  399.407   8.6810  400.745   7.9549  225.581   2.4522  225.964   2.2433 -0.3832397 3.323530 
1 1 1    9    2    3 o  471.246   2.0101  1742.85   14.866  1745.67   21.054  1740.05   20.993  471.580   2.8449  470.820   2.8412 0.7597351 4.020702 
1 1 1    9    2    4 o  247.779   1.4631  481.780   5.6891  480.193   7.7754  483.609   8.3462  247.360   2.0030  248.234   2.1425 -0.8748169 2.932980 
1 1 1    9    2    5 o  216.645   1.5121  368.312   5.1408  376.538   7.6566  361.560   6.9370  219.038   2.2275  214.641   2.0595 4.397324 3.033629 
1 1 1    9    2    6 o  186.389   1.3274  272.614   3.8826  276.166   5.5213  269.139   5.4609  187.593   1.8755  185.191   1.8791 2.402084 2.654880 
1 1 1    9    2    7 o  196.150   2.0327  301.935   6.2571  302.021   9.5417  301.871   8.2879  196.160   3.0996  196.119   2.6929 0.4113770E-01 4.105993 
1 1 1    9    2    8 o  333.059   1.6194  870.472   8.4642  858.046   11.841  883.455   12.103  330.661   2.2820  335.520   2.2987 -4.859650 3.239056 
1 1 1    9    2    9 f  729.580   3.2968  4177.93   37.746  4182.27   46.308  4169.35   65.155  729.899   4.0429  728.597   5.6984 1.301697 6.986853 
1 1 1    9    2   10 o  269.344   1.4740  569.274   6.2302  560.714   8.7305  578.157   8.8935  267.302   2.0813  271.428   2.0879 -4.125793 2.948061 
1 1 1    9    2   11 o  267.222   1.5583  560.353   6.5348  560.607   9.2378  560.100   9.2455  267.271   2.2025  267.150   2.2053 0.1209412 3.116766 
1 1 1    9    2   12 o  115.761   1.4854  105.159   2.6984  102.175   3.7714  108.289   3.8625  114.101   2.1062  117.466   2.0953 -3.364510 2.970968 
1 1 1    9    2   13 o  249.868   1.5274  489.949   5.9893  487.118   8.4312  492.832   8.5095  249.130   2.1565  250.587   2.1639 -1.456711 3.055020 
1 1 1    9    2   14 o  281.765   1.7206  623.079   7.6078  621.112   10.723  625.071   10.795  281.290   2.4292  282.185   2.4378 -0.8946533 3.441493 
1 1 1    9    2   15 o   88.841   1.9155   61.954   2.6705   60.811   3.6781   63.230   3.8837   87.960   2.6677   89.689   2.7626 -1.728752 3.840376 
1 1 1    9    2   16 o  218.403   1.4732  374.412   5.0492  371.505   7.0826  377.416   7.2001  217.515   2.0749  219.237   2.0927 -1.722153 2.946998 
1 1 1    9    2   17 o   60.536   1.9338   28.808   1.8347   31.212   2.5828   26.359   2.6068   62.966   2.6195   57.834   2.8813 5.132702 3.894084 
1 1 1    9    2   18 o  159.311   1.5374  199.279   3.8436  197.245   5.3657  201.423   5.5085  158.444   2.1580  160.109   2.1924 -1.665817 3.076251 
1 1 1    9    2   19 o   98.473   1.6768   76.164   2.5912   75.787   3.6322   76.554   3.6977   98.180   2.3574   98.673   2.3879 -0.4927216 3.355544 
1 1 1    9    2   20 o   15.652   5.3572   1.7880   1.5833   1.3660   2.3249   2.1531   2.1623   16.332   6.3396   17.599   6.2451 -1.267588 8.898985 
1 1 1    9    2   21 o   33.068   3.1263   8.7017   1.6031   7.6194   2.2362   9.8460   2.2993   30.613   4.8135   34.997   4.2751 -4.384161 6.437900 
1 1 1    9    2   22 o  102.107   1.5192   81.933   2.4344   84.696   3.5789   79.554   3.3209  103.727   2.1987  100.542   2.1048 3.184692 3.043712 
1 1 1    9    2   23 o   44.426   2.5203   15.622   1.7499   16.456   2.5303   14.858   2.4226   45.404   3.5802   43.123   3.6130 2.280544 5.086367 
1 1 1    9    2   24 o   98.720   1.6175   76.696   2.5059   76.706   3.5029   76.685   3.5863   98.587   2.2641   98.560   2.3187 0.2707672E-01 3.240758 
1 1 1    9    2   25 o   39.546   2.5047   12.428   1.5465   14.072   2.2291   10.903   2.1472   41.870   3.4224   36.726   3.7795 5.144562 5.098750 
1 1 1    9    2   26 o   18.171   5.2477   2.7789   1.5798   3.8010   2.2935   1.8561   2.1791   21.114   6.3825   16.595   6.2096 4.519547 8.904808 
1 1 1    9    2   27 o   10.901   4.6168   0.1490   1.3658   1.6617   1.9989  -1.1755   1.8705   15.751   5.9360   10.673   4.9004 5.078066 7.697443 
1 1 1    9    2   28 o   27.281   3.2987   6.0834   1.3836   5.0163   1.9791   7.1035   1.9351   23.981   5.3904   29.102   4.3721 -5.121416 6.940604 
1 1 1    9    2   29 o   6.5142   3.2174  -2.5313   1.1969   0.1647   1.9806  -4.0826   1.5023   12.602   5.4523   6.6723   3.3442 5.929741 6.396192 
1 1 1    9    2   30 o   24.976   4.4137   5.4652   1.6667   7.0332   2.3326   3.8297   2.3824   27.619   5.5742   19.925   6.5694 7.694084 8.615632 
1 1 1    9    2   31 o   22.968   4.2140   4.6623   1.4629   6.3267   2.0288   2.8597   2.1114   26.200   5.1181   17.406   6.1717 8.793863 8.017819 
1 1 1    9    2   32 o   13.794   6.0825   0.6224   2.5686   1.0884   3.5708   0.1227   3.6976   15.697   7.0309   14.958   6.8759 0.7388544 9.834194 
1 1 1    9    2   33 o   11.084   5.1669  -0.6239   2.1992  -0.5722   3.0909  -0.6770   3.1299   12.690   5.9819   12.664   5.9846 0.2661991E-01 8.461631 
1 1 1    9    3    0 o  340.930   2.3112  912.275   12.364  912.275   12.364  912.275   12.364  340.930   2.3112  340.930   2.3112 0.000000 0.000000 
1 1 1    9    3    1 o  172.414   1.3031  233.271   3.5258  228.112   4.9444  238.607   5.0291  170.490   1.8480  174.368   1.8379 -3.877975 2.606334 
1 1 1    9    3    2 o  279.331   1.4829  612.298   6.5002  609.824   9.1648  614.802   9.2207  278.751   2.0951  279.886   2.0993 -1.135315 2.965888 
1 1 1    9    3    3 o  274.566   1.5209  591.587   6.5531  596.663   9.0268  585.931   9.5286  275.728   2.0862  273.233   2.2222 2.494690 3.048000 
1 1 1    9    3    4 o  441.224   1.9219  1527.80   13.307  1498.23   18.492  1559.56   19.165  436.899   2.6971  445.748   2.7397 -8.849579 3.844564 
1 1 1    9    3    5 o   89.794   1.6595   63.273   2.3384   62.003   3.2965   64.559   3.3176   88.851   2.3663   90.667   2.3336 -1.815300 3.323434 
1 1 1    9    3    6 f  107.996   1.5404   91.522   2.6106   90.309   3.3143   93.505   4.2376  107.275   1.9687  109.152   2.4739 -1.877213 3.161650 
1 1 1    9    3    7 o   54.288   2.0610   23.162   1.7527   24.934   2.6861   21.848   2.3128   56.280   3.0527   52.686   2.8075 3.594086 4.147385 
1 1 1    9    3    8 o  373.913   1.7316  1097.13   10.161  1091.89   14.308  1102.46   14.432  373.002   2.4444  374.804   2.4536 -1.801819 3.463416 
1 1 1    9    3    9 o  353.939   1.7935  983.051   9.9615  993.140   14.184  973.231   13.993  355.734   2.5408  352.151   2.5321 3.583466 3.587102 
1 1 1    9    3   10 o  385.935   1.8857  1168.84   11.421  1164.03   16.092  1173.73   16.211  385.117   2.6626  386.718   2.6712 -1.601013 3.771594 
1 1 1    9    3   11 o  220.111   1.4744  380.186   5.0929  378.322   7.1782  382.075   7.2268  219.561   2.0833  220.647   2.0871 -1.086319 2.948918 
1 1 1    9    3   12 o  102.480   1.6258   82.415   2.6146   83.861   3.5864   80.776   3.8198  103.369   2.2109  101.449   2.3993 1.920891 3.262613 
1 1 1    9    3   13 o   83.825   1.9013   55.145   2.5011   56.631   3.7280   53.929   3.3727   84.891   2.8022   82.848   2.5973 2.042892 3.820822 
1 1 1    9    3   14 o  137.978   1.5053  149.408   3.2593  145.627   4.3911  154.046   4.8638  136.211   2.0543  140.089   2.2124 -3.878036 3.019085 
1 1 1    9    3   15 o  233.238   1.5065  426.962   5.5142  427.199   7.7778  426.722   7.8190  233.272   2.1246  233.141   2.1371 0.1309509 3.013525 
1 1 1    9    3   16 o  141.756   1.4484  157.733   3.2221  151.761   4.4763  164.154   4.6417  139.021   2.0518  144.586   2.0457 -5.565155 2.897376 
1 1 1    9    3   17 o   53.036   2.1556   22.132   1.7904   21.572   2.5010   22.720   2.5640   52.286   3.0615   53.664   3.0572 -1.378487 4.326585 
1 1 1    9    3   18 o   34.311   3.3354   9.3541   1.7733   8.1094   2.4169   10.805   2.6097   31.648   5.0349   36.708   4.6332 -5.059372 6.842316 
1 1 1    9    3   19 o  190.857   1.5753  286.085   4.7183  282.421   6.5945  289.928   6.7538  189.545   2.2170  192.044   2.2410 -2.498825 3.152312 
1 1 1    9    3   20 o   80.255   1.8467   50.619   2.3258   46.943   3.2385   54.533   3.3424   77.174   2.6781   83.201   2.5630 -6.027176 3.706885 
1 1 1    9    3   21 o   84.167   1.5649   55.662   2.0669   54.554   2.9263   56.766   2.9199   83.235   2.2423   84.914   2.1930 -1.678917 3.136474 
1 1 1    9    3   22 o   26.768   3.8639   5.7935   1.5762   3.3918   2.1321   8.6880   2.3406   20.413   6.1501   32.709   4.6942 -12.29608 7.736881 
1 1 1    9    3   23 o  109.347   1.4280   93.993   2.4504   92.853   3.4831   95.109   3.4479  108.578   2.0442  109.898   1.9992 -1.319763 2.859296 
1 1 1    9    3   24 o   13.620   5.0989   1.1558   1.4696   1.4366   2.2271   0.9392   1.9558   16.020   6.2086   14.408   5.7461 1.611460 8.459620 
1 1 1    9    3   25 o   25.731   4.1916   5.4527   1.6343   5.8418   2.3545   5.0909   2.2703   26.166   5.8780   24.387   5.9790 1.778448 8.384511 
1 1 1    9    3   26 o   25.956   4.7323   5.6430   1.8566   6.5638   2.6326   4.7320   2.6187   27.518   6.2404   23.326   6.7624 4.192434 9.201738 
1 1 1    9    3   27 o   12.479   4.8727   0.8490   1.3799   0.4071   2.0132   1.2406   1.8951   13.394   5.6355   14.643   5.7126 -1.249124 8.024464 
1 1 1    9    3   28 o   55.795   1.8829   24.684   1.6463   22.242   2.3450   27.058   2.3118   52.603   2.8513   58.174   2.5384 -5.571075 3.817567 
1 1 1    9    3   29 o   20.429   4.9265   3.6974   1.5609   2.3072   1.9551   6.1413   2.5923   16.654   5.9354   25.592   6.4562 -8.937471 8.769905 
1 1 1    9    3   30 o   12.574   5.3117   0.5756   1.8002   2.6348   2.7581  -0.9528   2.3762   17.649   6.8897   11.975   5.5075 5.673856 8.820437 
1 1 1    9    3   31 o   10.584   4.6955  -0.1284   1.5533   1.8909   2.1853  -2.1908   2.2084   15.444   6.1013   10.196   4.8770 5.248329 7.810992 
1 1 1    9    3   32 o   8.2808   3.9065  -1.1278   1.3229  -0.1029   1.7861  -2.3733   1.9690   11.134   4.9809   9.2220   4.4600 1.911905 6.685858 
1 1 1    9    3   33 o   8.5748   4.2509  -3.7010   2.1610  -2.4043   3.0820  -4.9551   3.0309   11.329   5.5026   9.8749   4.9184 1.453770 7.380339 
1 1 1    9    4    0 o  215.817   2.4374  365.659   8.2527  365.659   8.2527  365.659   8.2527  215.817   2.4374  215.817   2.4374 0.000000 0.000000 
1 1 1    9    4    1 o  246.423   1.4187  476.519   5.4863  480.084   7.7937  473.018   7.7243  247.331   2.0080  245.504   2.0049 1.826782 2.837545 
1 1 1    9    4    2 o  295.056   1.5238  683.174   7.0556  674.492   9.8968  692.149   10.061  293.159   2.1512  296.971   2.1589 -3.812164 3.047734 
1 1 1    9    4    3 o  455.254   1.9644  1626.52   14.034  1634.84   19.939  1618.35   19.757  456.377   2.7840  454.070   2.7726 2.306458 3.929090 
1 1 1    9    4    4 f  450.360   1.9515  1591.71   13.792  1574.30   19.323  1609.80   19.693  447.855   2.7493  452.875   2.7710 -5.019684 3.903434 
1 1 1    9    4    5 o  184.046   1.3345  265.801   3.8545  267.043   5.4638  264.571   5.4383  184.469   1.8874  183.613   1.8874 0.8557434 2.669165 
1 1 1    9    4    6 o  336.407   1.7470  888.081   9.2228  886.857   13.054  889.301   13.032  336.158   2.4745  336.621   2.4670 -0.4629822 3.494182 
1 1 1    9    4    7 o  447.458   2.0821  1571.23   14.621  1550.31   20.457  1593.08   20.904  444.440   2.9330  450.527   2.9567 -6.087158 4.164694 
1 1 1    9    4    8 o  113.483   1.5099  101.057   2.6889   98.083   3.7788  104.107   3.8270  111.796   2.1539  115.179   2.1173 -3.382355 3.020274 
1 1 1    9    4    9 o  324.528   1.7825  826.465   9.0781  821.721   12.315  832.111   13.435  323.582   2.4251  325.616   2.6292 -2.034119 3.576870 
1 1 1    9    4   10 o  417.326   2.1432  1366.78   14.036  1371.47   19.895  1362.13   19.805  418.009   3.0329  416.583   3.0295 1.425873 4.286780 
1 1 1    9    4   11 o  210.654   1.8348  348.241   6.0655  348.766   8.1667  347.596   9.0581  210.801   2.4687  210.441   2.7429 0.3600464 3.690213 
1 1 1    9    4   12 o  494.831   2.2379  1921.72   17.378  1938.05   24.754  1905.86   24.402  496.869   3.1746  492.728   3.1558 4.141022 4.476319 
1 1 1    9    4   13 o  251.659   1.5523  497.010   6.1305  493.784   8.6099  500.327   8.7311  250.823   2.1874  252.479   2.2036 -1.655838 3.104920 
1 1 1    9    4   14 o  183.242   1.4542  263.516   4.1817  264.785   5.8925  262.229   5.9354  183.667   2.0444  182.777   2.0693 0.8894043 2.908840 
1 1 1    9    4   15 o  141.469   1.4533  157.079   3.2264  156.087   4.5328  158.097   4.5936  141.003   2.0485  141.908   2.0627 -0.9046021 2.907065 
1 1 1    9    4   16 o  255.986   1.5589  514.415   6.2623  515.215   8.8275  513.605   8.8852  256.125   2.1962  255.723   2.2141 0.4026489 3.118573 
1 1 1    9    4   17 o  167.234   1.4409  219.558   3.7814  213.860   5.2652  225.629   5.4343  165.007   2.0333  169.486   2.0432 -4.478561 2.882530 
1 1 1    9    4   18 o   45.862   2.2925   16.571   1.6447   15.876   2.3257   17.267   2.3263   44.782   3.3333   46.729   3.1914 -1.947128 4.614737 
1 1 1    9    4   19 o  181.285   1.4711  258.087   4.1852  254.934   5.8461  261.401   5.9941  180.100   2.0685  182.366   2.0945 -2.265961 2.943686 
1 1 1    9    4   20 o   71.762   1.8659   40.503   2.0995   42.771   2.9785   38.263   2.9599   73.668   2.5803   69.656   2.7129 4.012169 3.744099 
1 1 1    9    4   21 o   39.238   2.7504   12.192   1.6829   13.794   2.5378   10.935   2.2483   41.561   3.9381   36.963   3.9365 4.598282 5.568161 
1 1 1    9    4   22 o   69.864   1.8549   38.421   2.0318   36.364   2.7587   40.859   3.0039   67.863   2.5951   71.928   2.6658 -4.065849 3.720398 
1 1 1    9    4   23 o   73.737   1.7440   42.785   2.0181   45.809   3.0074   40.308   2.7220   76.139   2.5204   71.434   2.4317 4.705406 3.502257 
1 1 1    9    4   24 o   45.734   2.2729   16.554   1.6262   17.946   2.3729   15.322   2.2329   47.424   3.2073   43.789   3.2730 3.635159 4.582531 
1 1 1    9    4   25 f   36.303   2.7787   10.519   1.5710   14.339   2.2937   7.1426   2.1562   42.230   3.4922   29.312   4.8574 12.91835 5.982421 
1 1 1    9    4   26 o   55.875   2.2015   24.748   1.9266   24.831   2.7796   24.671   2.6729   55.660   3.1957   55.521   3.0798 0.1388321 4.438148 
1 1 1    9    4   27 o   33.130   3.1497   8.8706   1.6179   4.9593   2.3444   12.427   2.2356   23.732   6.2204   39.068   3.6902 -15.33576 7.232593 
1 1 1    9    4   28 f   9.6803   4.3621  -0.5696   1.3976   1.3254   2.0831  -2.1213   1.8849   15.048   5.9531   9.6135   4.5724 5.434772 7.506448 
1 1 1    9    4   29 o   10.825   4.4715   0.4271   1.2339  -0.2175   2.0064   0.8192   1.5647   12.067   5.3457   12.627   5.1035 -0.5604191 7.390704 
1 1 1    9    4   30 o   7.8681   3.8851  -3.4202   1.7413  -3.0600   2.4374  -3.7957   2.4885   10.252   4.9590   9.8869   4.8335 0.3646193 6.924902 
1 1 1    9    4   31 f   20.206   5.4118   3.8901   1.7503   4.4099   2.4505   3.3487   2.5010   20.728   6.6504   18.438   6.6949 2.290894 9.436629 
1 1 1    9    4   32 o   9.7794   4.6157  -1.3459   1.8509  -0.8229   2.5814  -1.8993   2.6553   12.116   5.6309   11.332   5.4004 0.7836552 7.801981 
1 1 1    9    4   33 o   14.709   5.0117   2.1792   1.3854   2.0147   1.9149   2.3598   2.0069   14.345   5.6973   15.056   5.8771 -0.7107639 8.185310 
1 1 1    9    5    0 o  163.733   1.8810  210.454   4.8317  210.454   4.8317  210.454   4.8317  163.733   1.8810  163.733   1.8810 -0.000000 0.000000 
1 1 1    9    5    1 o  241.049   1.4173  455.960   5.3614  471.031   7.7207  441.924   7.4509  244.990   2.0082  237.299   2.0008 7.690063 2.834787 
1 1 1    9    5    2 o  380.180   1.7496  1134.26   10.438  1134.53   14.761  1133.99   14.762  380.200   2.4741  380.110   2.4748 0.8999634E-01 3.499360 
1 1 1    9    5    3 o  302.100   1.6549  716.185   7.8455  716.938   11.104  715.435   11.087  302.242   2.3410  301.925   2.3399 0.3168030 3.309915 
1 1 1    9    5    4 o  497.305   2.7965  1941.11   21.824  1954.39   29.464  1924.98   32.485  498.942   3.7630  495.144   4.1806 3.798035 5.624743 
1 1 1    9    5    5 o  416.214   2.4683  1359.57   16.122  1364.95   19.829  1349.09   27.694  417.014   3.0300  414.521   4.2573 2.493103 5.225495 
1 1 1    9    5    6 o  380.350   2.0262  1135.28   12.094  1140.96   17.146  1129.64   17.062  381.277   2.8657  379.381   2.8658 1.895874 4.052761 
1 1 1    9    5    7 o  141.520   1.6608  157.163   3.6885  165.059   5.5149  150.773   4.9615  145.025   2.4232  138.608   2.2810 6.416580 3.327878 
1 1 1    9    5    8 o  138.187   1.5450  149.844   3.3504  145.958   4.8698  153.337   4.6166  136.377   2.2754  139.784   2.1046 -3.406509 3.099468 
1 1 1    9    5    9 o  342.379   1.7746  919.888   9.5347  914.787   13.407  925.108   13.562  341.411   2.5024  343.331   2.5172 -1.920197 3.549368 
1 1 1    9    5   10 o  292.860   1.7108  673.047   7.8626  683.362   10.810  661.461   11.457  295.082   2.3344  290.310   2.5147 4.771698 3.431256 
1 1 1    9    5   11 o  105.416   2.0145   87.210   3.3325   91.203   4.9933   84.003   4.4749  107.750   2.9558  103.414   2.7599 4.335434 4.043943 
1 1 1    9    5   12 o  387.637   1.9037  1179.25   11.580  1178.23   16.347  1180.28   16.407  387.434   2.6887  387.771   2.6962 -0.3370972 3.807709 
1 1 1    9    5   13 o  282.469   1.6274  626.176   7.2140  615.341   10.057  637.658   10.353  279.990   2.2889  285.021   2.3147 -5.031036 3.255316 
1 1 1    9    5   14 o  227.643   1.4205  406.695   5.0747  400.475   7.0955  413.209   7.2607  225.873   2.0017  229.436   2.0166 -3.562134 2.841387 
1 1 1    9    5   15 o   90.297   1.6122   64.001   2.2845   65.792   3.3429   62.431   3.1292   91.503   2.3299   89.138   2.2387 2.364731 3.231130 
1 1 1    9    5   16 o  173.652   1.3665  236.705   3.7240  237.495   5.2555  235.909   5.2777  173.908   1.9257  173.325   1.9403 0.5823975 2.733713 
1 1 1    9    5   17 o   88.834   1.5490   61.960   2.1594   64.192   3.0545   59.730   3.0533   90.393   2.1532   87.163   2.2341 3.230659 3.102828 
1 1 1    9    5   18 o  135.584   1.4426  144.343   3.0696  146.228   4.1847  142.147   4.5162  136.428   1.9546  134.494   2.1397 1.933899 2.898102 
1 1 1    9    5   19 o   81.593   1.6307   52.296   2.0880   52.747   2.9866   51.864   2.9204   81.866   2.3271   81.180   2.2947 0.6857529 3.268133 
1 1 1    9    5   20 o   69.714   1.8834   38.231   2.0586   37.354   2.8008   39.262   3.0358   68.831   2.5976   70.549   2.7473 -1.718674 3.780922 
1 1 1    9    5   21 o   72.986   1.8943   41.918   2.1679   40.583   3.0441   43.291   3.0881   71.707   2.7100   74.072   2.6610 -2.364853 3.798029 
1 1 1    9    5   22 o   34.763   3.6335   9.6795   1.9530   9.5237   3.1795   9.7739   2.4750   33.851   6.2142   34.711   4.6612 -0.8600464 7.768071 
1 1 1    9    5   23 o   77.336   1.8971   47.097   2.3023   49.523   3.3111   44.826   3.2036   79.120   2.6705   75.260   2.7169 3.860184 3.809655 
1 1 1    9    5   24 o   29.451   3.5932   7.0138   1.6263   6.4672   2.4922   7.4192   2.1463   27.618   5.9275   29.999   4.7144 -2.380919 7.573651 
1 1 1    9    5   25 o   27.183   3.9679   6.0539   1.6427   8.3545   2.3981   4.0199   2.2549   31.687   4.9873   21.697   6.2706 9.990343 8.012058 
1 1 1    9    5   26 o   47.733   2.3954   18.113   1.7886   18.665   2.5970   17.615   2.4670   48.122   3.4621   46.770   3.3842 1.352123 4.841334 
1 1 1    9    5   27 o   22.016   5.0625   4.1681   1.7125   3.3904   2.4558   4.9041   2.3893   20.012   6.6724   23.533   6.3318 -3.521471 9.198490 
1 1 1    9    5   28 o   14.127   5.0627   1.5046   1.4245   2.7949   2.1011   0.4070   1.9378   18.171   6.1723   13.017   5.5056 5.153259 8.271024 
1 1 1    9    5   29 o   20.990   4.2130   3.8146   1.3395   4.3520   2.0491   3.4136   1.7700   21.673   5.8777   19.357   5.5437 2.315987 8.079597 
1 1 1    9    5   30 o   17.797   6.6544   2.8877   2.5015   5.0157   3.6058   0.9133   3.4732   21.673   8.0111   16.029   7.0701 5.644600 10.68480 
1 1 1    9    5   31 o   15.710   5.8922   2.1623   1.9644   0.7580   2.7576   3.6089   2.7989   14.488   6.3482   18.896   7.0442 -4.408150 9.482624 
1 1 1    9    5   32 o   17.160   5.8120   2.9840   1.8628   1.9074   2.6124   4.0977   2.6571   15.346   6.4358   19.127   6.9069 -3.780816 9.440600 
1 1 1    9    5   33 o   9.0440   4.2412  -0.8194   1.5189  -1.1090   2.2334  -0.5702   2.0717   10.555   5.0077   10.731   5.0063 -0.1760664 7.081010 
1 1 1    9    6    0 o  511.423   4.2920  2053.47   34.442  2053.47   34.442  2053.47   34.442  511.423   4.2920  511.423   4.2920 -0.000000 0.000000 
1 1 1    9    6    1 o  355.064   2.1359  989.389   11.901  983.412   16.751  995.481   16.911  353.958   3.0157  356.123   3.0260 -2.165009 4.272179 
1 1 1    9    6    2 o  183.939   1.7164  265.505   4.9546  266.425   7.0140  264.587   6.9997  184.247   2.4258  183.610   2.4293 0.6366577 3.433064 
1 1 1    9    6    3 f  228.620   1.8795  410.168   6.7430  416.387   10.180  405.307   9.0004  230.328   2.8165  227.250   2.5238 3.078552 3.781825 
1 1 1    9    6    4 o   70.886   2.2771   39.475   2.5298   34.348   3.5662   44.669   3.5894   66.059   3.4520   75.377   3.0407 -9.318565 4.600214 
1 1 1    9    6    5 o  524.973   2.3479  2162.86   19.343  2158.33   27.271  2167.44   27.440  524.377   3.3140  525.482   3.3275 -1.105225 4.696311 
1 1 1    9    6    6 o  149.923   1.5506  176.378   3.6482  179.552   4.9907  172.736   5.3463  151.261   2.1025  148.360   2.2963 2.901001 3.113420 
1 1 1    9    6    7 o  107.492   1.6177   90.670   2.7289   91.543   3.8280   89.767   3.8913  108.005   2.2585  106.951   2.3185 1.053566 3.236683 
1 1 1    9    6    8 o  283.303   1.5353  629.811   6.8258  617.363   9.5149  643.010   9.7976  280.479   2.1617  286.245   2.1811 -5.766235 3.070861 
1 1 1    9    6    9 o   85.651   1.6701   57.569   2.2448   58.810   3.1732   56.325   3.1760   86.534   2.3388   84.683   2.3923 1.851028 3.345613 
1 1 1    9    6   10 o  276.369   1.5138  599.375   6.5654  602.173   9.2983  596.593   9.2716  277.000   2.1390  275.714   2.1428 1.286652 3.027735 
1 1 1    9    6   11 o  228.090   1.4345  408.254   5.1348  400.846   7.1816  416.003   7.3447  226.000   2.0249  230.233   2.0328 -4.233215 2.869253 
1 1 1    9    6   12 o  395.110   1.8081  1225.16   11.211  1229.00   15.887  1221.36   15.823  395.691   2.5585  394.460   2.5561 1.231140 3.616562 
1 1 1    9    6   13 o  166.808   1.3980  218.362   3.6597  212.940   5.1169  224.040   5.2363  164.711   1.9796  168.949   1.9750 -4.238434 2.796306 
1 1 1    9    6   14 o  261.431   1.4867  536.415   6.0994  547.442   8.7226  525.864   8.5324  264.070   2.1048  258.814   2.1008 5.256317 2.973802 
1 1 1    9    6   15 o  203.091   1.4481  323.754   4.6154  315.970   6.6530  330.975   6.4081  200.594   2.1135  205.311   1.9889 -4.716751 2.902139 
1 1 1    9    6   16 o   69.484   1.7934   37.936   1.9539   38.548   2.7555   37.318   2.7711   69.995   2.5126   68.863   2.5687 1.131737 3.593280 
1 1 1    9    6   17 f   97.254   1.5737   74.267   2.4018   73.520   3.4854   74.943   3.3143   96.725   2.2962   97.665   2.1624 -0.9399490 3.154139 
1 1 1    9    6   18 o  113.224   1.4701  100.667   2.6122   98.972   3.6987  102.353   3.6897  112.222   2.1002  114.126   2.0602 -1.903931 2.941972 
1 1 1    9    6   19 o  125.420   1.5295  123.554   3.0104  119.974   4.3159  126.948   4.2011  123.518   2.2266  127.071   2.1067 -3.553749 3.065278 
1 1 1    9    6   20 o   23.461   4.8701   4.5315   1.7343   3.4671   2.5836   5.4044   2.3397   21.055   6.8352   25.506   5.9542 -4.451342 9.064932 
1 1 1    9    6   21 f   24.343   5.8616   4.9378   2.2123   0.9238   3.2618   8.3574   3.0106   17.705   7.2875   31.717   6.2709 -14.01241 9.614170 
1 1 1    9    6   22 o   47.626   3.2225   18.030   2.3943   18.308   3.6360   17.817   3.1813   47.587   4.9407   47.093   4.3540 0.4938087 6.585439 
1 1 1    9    6   23 o   21.708   6.1871   3.9517   2.2099   0.4871   3.2079   7.0810   3.0487   16.802   7.0939   28.785   6.8489 -11.98376 9.860537 
1 1 1    9    6   24 f   37.067   3.1016   10.992   1.7876   10.536   2.7531   11.325   2.3506   35.725   5.0515   37.373   4.0737 -1.647762 6.489428 
1 1 1    9    6   25 o   27.737   3.8125   6.2854   1.6156   6.3219   2.3468   6.2524   2.2275   27.231   5.6760   27.163   5.4158 0.6842995E-01 7.845219 
1 1 1    9    6   26 o   38.536   2.7911   11.887   1.6764   11.987   2.4177   11.794   2.3266   38.275   4.0884   38.010   3.9584 0.2649231 5.690702 
1 1 1    9    6   27 o   11.073   4.7953  -0.0564   1.5348   0.8345   2.3513  -0.7179   2.0260   14.874   6.1611   11.711   5.2667 3.162992 8.105440 
1 1 1    9    6   28 o   19.656   4.7044   3.3603   1.4318   3.6173   2.0607   3.1205   1.9908   20.092   6.0447   18.828   5.9894 1.263960 8.509472 
1 1 1    9    6   29 o   14.498   4.8967   1.7702   1.3223   2.8458   1.9457   0.8470   1.8025   17.767   5.9394   13.177   5.4200 4.589930 8.040684 
1 1 1    9    6   30 o   19.707   5.5991   3.6912   1.8127   4.1814   2.5801   3.2135   2.5472   20.348   6.8400   18.367   6.7429 1.980791 9.604812 
1 1 1    9    6   31 o   11.126   4.9697  -0.1553   1.7711  -2.7049   2.5850   2.1004   2.4315   10.722   5.1669   15.956   6.3923 -5.234221 8.219391 
1 1 1    9    6   32 o   10.839   5.0575  -0.8781   2.1152   3.1615   3.0310  -4.7133   2.9533   17.192   7.0451   10.051   4.9805 7.141017 8.627809 
1 1 1    9    6   33 o   11.470   5.0246   0.5946   1.7268   2.3588   2.4537  -1.1363   2.4305   14.952   6.2517   10.881   5.1801 4.071517 8.118912 
1 1 1    9    7    0 o  326.198   2.3098  835.115   11.822  835.115   11.822  835.115   11.822  326.198   2.3098  326.198   2.3098 0.000000 0.000000 
1 1 1    9    7    1 o  262.647   1.5996  541.327   6.5930  534.834   9.2581  548.008   9.3913  261.055   2.2599  264.251   2.2647 -3.195526 3.199314 
1 1 1    9    7    2 o  220.618   1.9050  381.954   6.5955  379.608   8.8488  384.888   9.8934  219.928   2.5639  221.447   2.8469 -1.518372 3.831205 
1 1 1    9    7    3 o  180.060   1.5028  254.417   4.2465  251.708   5.9763  257.179   6.0351  179.093   2.1264  181.029   2.1244 -1.935760 3.005748 
1 1 1    9    7    4 o   42.950   3.0120   14.550   2.0172   15.680   2.9097   13.504   2.7992   44.491   4.2178   41.240   4.3927 3.250988 6.089792 
1 1 1    9    7    5 o  174.799   1.4999  239.765   4.1143  234.706   5.7955  244.905   5.8419  172.939   2.1354  176.657   2.1072 -3.717880 3.000093 
1 1 1    9    7    6 o  344.467   1.7995  931.140   9.7276  931.982   13.782  930.304   13.732  344.606   2.5484  344.296   2.5415 0.3102112 3.599171 
1 1 1    9    7    7 o  473.271   2.1844  1757.77   16.223  1764.92   23.060  1750.76   22.829  474.197   3.0988  472.292   3.0801 1.905365 4.369162 
1 1 1    9    7    8 o  535.155   2.3878  2247.61   20.053  2252.58   28.469  2242.72   28.251  535.693   3.3864  534.521   3.3679 1.172180 4.776053 
1 1 1    9    7    9 o  125.092   1.5721  122.795   3.0862  119.183   4.3698  126.389   4.3592  123.232   2.2596  126.904   2.1889 -3.671494 3.145979 
1 1 1    9    7   10 o  188.934   1.5100  280.118   4.4769  278.938   6.3829  281.260   6.2810  188.525   2.1575  189.309   2.1142 -0.7837524 3.020689 
1 1 1    9    7   11 o  185.591   1.5045  270.298   4.3818  273.613   6.2816  267.156   6.1153  186.715   2.1438  184.499   2.1121 2.215546 3.009471 
1 1 1    9    7   12 o  180.326   1.5055  255.189   4.2604  261.717   6.1682  249.234   5.8914  182.604   2.1525  178.197   2.1068 4.406677 3.011922 
1 1 1    9    7   13 o  309.493   1.7080  751.791   8.2957  758.737   11.878  745.179   11.591  310.875   2.4348  308.087   2.3973 2.787354 3.416947 
1 1 1    9    7   14 o  183.520   1.5516  264.355   4.4685  267.483   6.6773  261.818   6.0134  184.566   2.3054  182.612   2.0984 1.953735 3.117372 
1 1 1    9    7   15 o  144.081   1.6253  162.976   3.6749  162.540   5.3266  163.372   5.0767  143.846   2.3596  144.222   2.2431 -0.3757782 3.255632 
1 1 1    9    7   16 o   89.647   1.8459   63.114   2.5969   65.654   3.8234   60.939   3.5382   91.352   2.6699   88.017   2.5643 3.335175 3.701911 
1 1 1    9    7   17 o  108.859   1.7043   93.068   2.9115   98.029   4.3077   88.896   3.9505  111.669   2.4582  106.347   2.3671 5.321640 3.412597 
1 1 1    9    7   18 o   31.488   3.9383   7.9462   1.9036   6.1792   2.8298   9.4069   2.5729   27.295   6.6650   34.119   4.9495 -6.824392 8.301801 
1 1 1    9    7   19 o   84.302   1.8219   55.852   2.4103   51.314   3.3743   60.580   3.4442   80.688   2.6685   87.701   2.5051 -7.012779 3.660138 
1 1 1    9    7   20 o   37.231   3.1351   11.013   1.8147   9.4615   2.6480   12.387   2.4919   34.115   5.1026   39.339   4.0965 -5.223335 6.543539 
1 1 1    9    7   21 o   39.669   3.7306   12.573   2.2951   10.292   3.3356   14.625   3.1628   35.254   6.2584   42.573   4.8188 -7.318504 7.898588 
1 1 1    9    7   22 o   30.215   3.9944   7.3860   1.8476   8.4745   2.7543   6.4955   2.4913   31.959   5.7009   27.850   5.8848 4.108982 8.193389 
1 1 1    9    7   23 o   47.865   2.6240   18.172   1.9635   18.803   2.6522   17.406   2.9206   48.490   3.5091   46.500   4.0425 1.990662 5.353155 
1 1 1    9    7   24 o   45.973   3.1230   16.887   2.2398   14.961   3.3200   18.496   3.0343   42.634   5.0608   47.828   4.0816 -5.194065 6.501661 
1 1 1    9    7   25 o   33.951   3.2419   9.2848   1.7063   8.6295   2.4256   9.9268   2.4008   32.168   4.9645   34.712   4.5141 -2.543697 6.709950 
1 1 1    9    7   26 o   14.189   5.3128   1.3317   1.5956   0.9018   2.2855   1.7404   2.2287   14.934   6.1185   16.346   6.2428 -1.411839 8.741240 
1 1 1    9    7   27 o   16.265   5.2843   2.1924   1.5440   2.1198   2.2672   2.2553   2.1085   17.010   6.3402   17.074   6.1544 -0.6369781E-01 8.835994 
1 1 1    9    7   28 f   35.442   3.2002   10.280   1.7608   10.596   2.5453   9.9911   2.4383   35.164   4.7324   34.171   4.6691 0.9937630 6.648057 
1 1 1    9    7   29 o   12.144   4.8318   0.8613   1.3797   0.2326   2.0160   1.4152   1.8922   12.606   5.4772   14.404   5.6814 -1.797604 7.891669 
1 1 1    9    7   30 o   13.883   4.8178   1.6466   1.2821   1.5116   1.8875   1.7623   1.7469   14.355   5.6706   14.699   5.5472 -0.3441868 7.932659 
1 1 1    9    7   31 o   12.831   5.3684   0.8735   1.8113   1.2021   2.5732   0.5509   2.5500   14.648   6.2747   13.746   6.0608 0.9025421 8.723834 
1 1 1    9    7   32 f   9.1423   4.3581  -1.4515   1.7320  -0.2544   2.4513  -2.6449   2.4475   12.077   5.5686   10.041   4.8832 2.035941 7.406411 
1 1 1    9    8    0 f   75.827   2.5856   45.277   3.0686   45.277   3.0686   45.277   3.0686   75.827   2.5856   75.827   2.5856 -0.000000 0.000000 
1 1 1    9    8    1 o  168.971   1.4178  224.041   3.7596  221.792   5.3236  226.279   5.3102  168.115   2.0179  169.807   1.9927 -1.692444 2.835978 
1 1 1    9    8    2 o  204.478   1.6369  328.100   5.2525  339.672   8.2040  320.061   6.8376  208.041   2.5129  201.951   2.1575 6.089600 3.311985 
1 1 1    9    8    3 o  139.711   1.4532  153.167   3.1860  153.755   4.5228  152.587   4.4888  139.974   2.0590  139.442   2.0513 0.5322571 2.906424 
1 1 1    9    8    4 o  285.211   1.8799  638.348   8.4140  635.474   11.335  641.874   12.557  284.556   2.5383  285.979   2.7980 -1.423187 3.777794 
1 1 1    9    8    5 o  353.945   1.8424  983.092   10.234  999.345   14.666  967.668   14.287  356.841   2.6189  351.140   2.5928 5.700378 3.685255 
1 1 1    9    8    6 o  537.814   2.5000  2270.01   21.100  2261.71   28.643  2279.86   31.202  536.784   3.4002  538.916   3.6893 -2.132141 5.017230 
1 1 1    9    8    7 o  452.576   2.1319  1607.42   15.141  1595.58   21.298  1619.52   21.530  450.871   3.0101  454.241   3.0203 -3.369995 4.264133 
1 1 1    9    8    8 o  204.598   1.5610  328.490   5.0121  336.590   7.2189  320.952   6.9644  207.095   2.2212  202.227   2.1945 4.867844 3.122459 
1 1 1    9    8    9 o  488.185   2.2435  1870.45   17.188  1871.06   24.345  1869.84   24.270  488.208   3.1776  488.049   3.1688 0.1585999 4.487584 
1 1 1    9    8   10 o  276.579   1.5472  600.296   6.7155  601.734   9.5287  598.877   9.4658  276.894   2.1929  276.236   2.1836 0.6577454 3.094631 
1 1 1    9    8   11 o  178.223   1.5347  249.269   4.2923  249.553   6.1096  248.993   6.0315  178.311   2.1834  178.112   2.1579 0.1992798 3.069797 
1 1 1    9    8   12 o  110.809   1.6738   96.367   2.9107   98.093   4.1955   94.766   4.0414  111.783   2.3917  109.872   2.3439 1.910843 3.348730 
1 1 1    9    8   13 o  193.606   1.5278  294.194   4.6418  300.962   6.6747  287.854   6.4597  195.792   2.1723  191.482   2.1497 4.309906 3.056165 
1 1 1    9    8   14 o  238.253   1.5747  445.593   5.8877  447.676   8.3889  443.570   8.2653  238.757   2.2389  237.662   2.2161 1.095245 3.150234 
1 1 1    9    8   15 o   57.155   2.1908   25.698   1.9614   28.354   2.8317   23.249   2.7193   59.975   3.0184   54.276   3.2069 5.698948 4.403917 
1 1 1    9    8   16 o  103.059   1.5613   83.396   2.5251   82.513   3.5961   84.255   3.5466  102.475   2.2362  103.554   2.1824 -1.079041 3.124634 
1 1 1    9    8   17 o   55.637   2.2166   24.368   1.9315   27.237   2.8034   21.776   2.6649   58.744   3.0514   52.485   3.2515 6.259171 4.459061 
1 1 1    9    8   18 o   44.823   2.6165   15.864   1.8324   15.467   2.6279   16.240   2.5565   44.096   3.8356   45.223   3.6328 -1.126900 5.282938 
1 1 1    9    8   19 f   53.165   2.2708   22.278   1.8902   20.719   2.7114   23.751   2.6365   51.124   3.3989   54.799   3.0782 -3.674744 4.585612 
1 1 1    9    8   20 o   61.613   2.1008   29.902   2.0283   30.057   2.9339   29.760   2.8072   61.643   3.0423   61.356   2.9239 0.2876701 4.219570 
1 1 1    9    8   21 o   88.507   1.7502   61.610   2.4309   61.564   3.5929   61.649   3.3012   88.313   2.5953   88.416   2.3814 -0.1026306 3.522260 
1 1 1    9    8   22 o   30.374   3.9080   7.4622   1.8197   7.1526   2.7723   7.6966   2.4119   29.124   6.2528   30.519   5.2238 -1.394859 8.147685 
1 1 1    9    8   23 o   43.236   2.6386   14.849   1.7818   15.708   2.6046   14.092   2.4429   44.195   3.7920   41.853   3.7594 2.342506 5.339685 
1 1 1    9    8   24 o   11.763   5.1708  -0.3600   1.8431   1.5416   2.7042  -2.0097   2.5187   17.084   6.7751   11.955   5.5581 5.129105 8.763283 
1 1 1    9    8   25 o   21.330   5.7283   3.9130   1.9578   4.7107   2.8092   3.1597   2.7299   23.253   7.0709   19.963   7.0231 3.289619 9.966039 
1 1 1    9    8   26 o   11.362   5.0378  -0.4316   1.7856  -1.8801   2.7553   0.6171   2.3445   12.626   5.8507   14.577   6.1040 -1.950739 8.455173 
1 1 1    9    8   27 o   18.397   5.4650   2.9365   1.6926   4.8467   2.4864   1.2868   2.3106   23.142   6.5517   15.449   6.2168 7.692681 9.031838 
1 1 1    9    8   28 o   15.128   5.4077   1.8381   1.6241   3.2088   2.3879   0.6582   2.2155   18.949   6.5752   13.912   5.8856 5.036748 8.824595 
1 1 1    9    8   29 o   22.581   4.9525   4.6181   1.7066   2.3471   2.4457   6.7734   2.3826   16.838   6.5115   26.850   5.8225 -10.01204 8.735055 
1 1 1    9    8   30 o   16.077   4.9836   2.3765   1.3872   3.5966   2.0377   1.3227   1.8937   19.125   6.0566   13.939   5.6214 5.186174 8.263290 
1 1 1    9    8   31 o   14.384   4.8224   1.8794   1.2826   4.3366   2.1373   0.4966   1.6033   20.522   6.1519   11.630   4.9665 8.892347 7.906479 
1 1 1    9    8   32 o   11.303   5.0430   0.2476   1.8179  -0.5566   2.5877   1.0312   2.5544   11.883   5.5606   13.521   6.0084 -1.637768 8.186629 
1 1 1    9    9    0 o  120.800   2.2089  114.626   4.1843  114.626   4.1843  114.626   4.1843  120.800   2.2089  120.800   2.2089 -0.000000 0.000000 
1 1 1    9    9    1 o  344.341   1.9627  930.477   10.606  913.992   13.718  954.971   16.722  341.263   2.5615  348.815   3.0548 -7.551636 3.986603 
1 1 1    9    9    2 f  292.038   1.5885  669.249   7.2798  652.934   10.149  686.538   10.448  288.445   2.2421  295.774   2.2509 -7.329102 3.177066 
1 1 1    9    9    3 o  290.786   1.5925  663.526   7.2670  663.995   10.313  663.064   10.242  290.877   2.2592  290.674   2.2452 0.2036133 3.185128 
1 1 1    9    9    4 o  559.028   2.3219  2452.55   20.369  2444.82   28.740  2460.35   28.874  558.099   3.2815  559.867   3.2863 -1.768982 4.644113 
1 1 1    9    9    5 o  165.536   1.5620  215.029   4.0576  210.184   5.5304  220.678   5.9718  163.654   2.1534  167.689   2.2693 -4.034134 3.128376 
1 1 1    9    9    6 o  371.032   2.1597  1080.37   12.575  1109.72   19.075  1057.81   16.723  376.000   3.2328  367.113   2.9028 8.886841 4.344780 
1 1 1    9    9    7 o  373.335   1.9062  1093.80   11.168  1098.26   15.912  1089.47   15.678  374.066   2.7107  372.568   2.6816 1.498260 3.812948 
1 1 1    9    9    8 o   55.877   2.8097   24.569   2.4559   23.802   3.8710   25.086   3.1772   54.864   4.5365   56.411   3.6079 -1.546951 5.796291 
1 1 1    9    9    9 o  451.078   2.1353  1596.89   15.115  1605.21   21.523  1588.79   21.233  452.201   3.0329  449.884   3.0075 2.316620 4.271204 
1 1 1    9    9   10 o  230.244   1.6728  416.031   6.0441  419.339   8.3667  412.420   8.7409  231.140   2.3066  229.221   2.4299 1.918900 3.350370 
1 1 1    9    9   11 o  306.925   1.7405  739.340   8.3834  742.388   11.951  736.387   11.763  307.520   2.4764  306.276   2.4474 1.243652 3.481727 
1 1 1    9    9   12 o  128.051   1.6207  128.697   3.2569  131.035   4.6980  126.533   4.5190  129.191   2.3172  126.953   2.2683 2.237602 3.242630 
1 1 1    9    9   13 o   64.334   2.2767   32.542   2.2949   34.468   3.3484   30.836   3.1515   66.147   3.2355   62.557   3.2211 3.589890 4.565506 
1 1 1    9    9   14 o  100.522   1.6350   79.331   2.5792   77.518   3.7047   81.037   3.5930   99.336   2.3765  101.571   2.2541 -2.235336 3.275490 
1 1 1    9    9   15 o  111.286   1.5703   97.237   2.7424   94.334   3.9157  100.033   3.8421  109.573   2.2772  112.841   2.1697 -3.268417 3.145299 
1 1 1    9    9   16 o   84.260   1.7550   55.762   2.3207   58.409   3.3256   53.251   3.2400   86.161   2.4621   82.261   2.5128 3.900162 3.517921 
1 1 1    9    9   17 o   26.230   4.5129   5.5922   1.7907   10.469   2.5883   1.1155   2.4800   36.080   4.6816   16.275   6.4771 19.80575 7.991894 
1 1 1    9    9   18 o   32.757   3.5917   8.5702   1.8161   10.020   2.6176   7.2245   2.5217   35.218   4.8662   29.653   5.6248 5.565620 7.437624 
1 1 1    9    9   19 o   78.086   1.8610   47.936   2.2805   49.001   3.2638   46.921   3.1877   78.827   2.6422   77.134   2.6373 1.692993 3.733165 
1 1 1    9    9   20 f   29.047   4.1216   6.8239   1.8261   7.9326   2.6316   5.7943   2.5359   31.021   5.6123   26.324   6.2354 4.697647 8.389101 
1 1 1    9    9   21 o   41.779   2.9263   13.863   1.9065   14.060   2.7813   13.688   2.6184   41.791   4.3023   41.277   4.0962 0.5140991 5.940374 
1 1 1    9    9   22 o   51.113   2.6066   20.704   2.0839   21.336   3.1328   20.203   2.7910   51.579   3.8993   50.274   3.5606 1.304211 5.280350 
1 1 1    9    9   23 o   28.560   4.1037   6.6691   1.7865   6.7496   2.5853   6.5955   2.4715   28.159   6.0320   27.887   5.8352 0.2714405 8.392568 
1 1 1    9    9   24 o   38.134   3.4564   11.723   2.0460   9.3550   2.9312   13.973   2.8573   33.205   5.8381   41.309   4.4793 -8.104137 7.358517 
1 1 1    9    9   25 o   12.014   5.0996   0.1790   1.6726  -1.8253   2.4033   2.0620   2.3293   11.705   5.4375   17.189   6.4225 -5.484179 8.415157 
1 1 1    9    9   26 o   14.219   5.4366   1.2819   1.6914   3.2100   2.4705  -0.4194   2.3207   19.588   6.6921   12.982   5.7504 6.606015 8.823320 
1 1 1    9    9   27 o   26.319   4.7343   5.9436   1.8835   7.5278   2.7620   4.5665   2.5751   28.866   6.2765   22.327   6.7659 6.538603 9.228906 
1 1 1    9    9   28 o   15.364   5.3832   1.9696   1.6028   1.8203   2.3285   2.1040   2.2096   15.992   6.3041   16.373   6.2250 -0.3816500 8.859574 
1 1 1    9    9   29 o   17.897   5.2696   2.9732   1.5794   2.1662   2.2936   3.7009   2.1781   16.229   6.2976   19.499   6.2713 -3.270397 8.887545 
1 1 1    9    9   30 o   14.827   5.5533   1.8656   1.7436   0.3868   2.6049   3.0662   2.3470   13.739   6.0885   17.764   6.4803 -4.025009 8.891827 
1 1 1    9    9   31 o   25.241   3.8129   5.6287   1.4633   4.5342   2.1552   6.5647   1.9930   20.738   6.1684   26.291   5.0135 -5.553638 7.948819 
1 1 1    9    9   32 o   10.199   4.7924  -0.8357   1.9565   1.8435   2.6841  -3.8733   2.8579   14.444   6.2972   9.9790   4.9365 4.464822 8.001522 
1 1 1    9   10    0 o  545.596   3.2457  2336.36   27.788  2336.36   27.788  2336.36   27.788  545.596   3.2457  545.596   3.2457 -0.000000 0.000000 
1 1 1    9   10    1 o  356.503   1.8962  997.362   10.609  1000.82   16.211  994.772   14.030  357.092   2.8928  356.023   2.5111 1.068756 3.830682 
1 1 1    9   10    2 o  347.920   1.8706  949.920   10.213  933.875   14.294  966.653   14.597  344.950   2.6406  350.951   2.6505 -6.001160 3.741374 
1 1 1    9   10    3 o   78.549   2.4022   48.467   2.9576   47.354   4.2859   49.479   4.0865   77.589   3.5292   79.326   3.2898 -1.737053 4.824728 
1 1 1    9   10    4 o  503.129   2.4927  1986.70   19.681  2005.52   28.154  1968.72   27.523  505.448   3.5494  500.792   3.5022 4.655945 4.986320 
1 1 1    9   10    5 o  188.900   1.7374  280.021   5.1504  276.075   7.3627  283.802   7.2074  187.552   2.5015  190.160   2.4152 -2.607956 3.477183 
1 1 1    9   10    6 o   92.955   2.1339   67.812   3.1128   67.067   4.9877   68.287   3.9838   92.363   3.4472   93.234   2.7257 -0.8708725 4.394593 
1 1 1    9   10    7 o  272.228   1.6882  581.568   7.2122  568.216   10.124  595.323   10.276  269.066   2.3978  275.410   2.3777 -6.343750 3.376763 
1 1 1    9   10    8 o  136.134   1.8036  145.439   3.8532  149.556   5.4486  141.320   5.4500  138.037   2.5152  134.181   2.5882 3.855896 3.609036 
1 1 1    9   10    9 o  265.752   1.7346  554.255   7.2341  556.529   9.9552  551.710   10.530  266.276   2.3824  265.114   2.5310 1.161316 3.475873 
1 1 1    9   10   10 o  108.853   1.8719   92.999   3.1977   91.850   4.8683   93.870   4.2408  108.121   2.8718  109.351   2.4713 -1.229988 3.788688 
1 1 1    9   10   11 o  138.337   1.6986  150.205   3.6874  151.973   5.1293  148.314   5.3048  139.130   2.3493  137.442   2.4595 1.688782 3.401175 
1 1 1    9   10   12 o   84.754   2.0136   56.395   2.6782   50.024   3.7022   63.390   3.8792   79.741   2.9636   89.792   2.7562 -10.05062 4.047189 
1 1 1    9   10   13 o  121.854   1.7358  116.578   3.3193  119.045   4.6659  114.050   4.7231  123.103   2.4152  120.488   2.4979 2.615059 3.474622 
1 1 1    9   10   14 o  104.087   1.8607   85.083   3.0394   82.032   4.2903   88.156   4.3064  102.123   2.6794  105.908   2.5911 -3.785431 3.727288 
1 1 1    9   10   15 o  122.781   1.9550  118.421   3.7669  112.384   5.3186  124.496   5.3357  119.536   2.8353  125.826   2.7022 -6.290245 3.916708 
1 1 1    9   10   16 o   87.560   2.2595   60.307   3.1021   61.900   4.5237   58.893   4.2621   88.591   3.2594   86.425   3.1478 2.166168 4.531242 
1 1 1    9   10   17 o  168.617   1.9516  223.460   5.1641  222.128   7.0765  224.977   7.5531  167.989   2.6843  169.029   2.8474 -1.040436 3.913216 
1 1 1    9   10   18 o   62.556   2.5351   30.858   2.4835   31.140   3.5648   30.592   3.4619   62.678   3.6399   62.134   3.5654 0.5436707 5.095151 
1 1 1    9   10   19 o   92.173   2.0220   66.831   2.9248   66.373   4.1469   67.286   4.1258   91.692   2.8855   92.328   2.8509 -0.6358414 4.056365 
1 1 1    9   10   20 o   90.543   2.0337   64.528   2.8896   64.342   4.1667   64.700   4.0109   90.211   2.9472   90.489   2.8279 -0.2779007 4.084526 
1 1 1    9   10   21 o   16.613   6.0381   1.8854   2.0349   1.4669   2.8624   2.3131   2.8935   17.510   6.9619   19.003   7.1461 -1.492992 9.976753 
1 1 1    9   10   22 o   33.320   4.2172   9.0303   2.1558   11.678   3.2822   7.0219   2.8589   37.447   5.7703   28.665   6.5051 8.782709 8.695551 
1 1 1    9   10   23 o   16.655   5.9195   2.0404   1.9434   3.2087   2.8199   0.9835   2.6820   20.319   7.1387   16.152   6.6240 4.166281 9.738497 
1 1 1    9   10   24 o   38.344   3.9772   11.972   2.3585   13.363   3.4556   10.759   3.2270   39.820   5.6916   35.525   6.0020 4.295204 8.271538 
1 1 1    9   10   25 o   11.616   5.1731  -0.5369   1.9040  -2.3728   2.7557   1.1402   2.6338   12.194   5.7165   16.080   6.5758 -3.886005 8.713162 
1 1 1    9   10   26 o   21.196   5.6295   3.9469   1.9039   4.1614   2.7425   3.7474   2.6453   21.660   7.0430   20.748   6.9252 0.9124813 9.877336 
1 1 1    9   10   27 o   17.079   5.7857   2.4917   1.8460   7.3607   2.6731  -1.9475   2.5524   28.385   6.1770   11.732   5.5005 16.65275 8.271057 
1 1 1    9   10   28 f   15.196   5.8843   1.7217   1.9992   2.7938   2.9467   0.8073   2.7214   18.192   7.1156   14.925   6.4238 3.267445 9.586306 
1 1 1    9   10   29 o   11.123   4.9380  -0.1139   1.7209   0.7180   2.5353  -0.8247   2.3435   14.160   6.1475   11.884   5.4670 2.276248 8.226729 
1 1 1    9   10   30 o   16.097   5.4271   2.4318   1.6243  -1.8994   2.2629   7.0349   2.3328   10.506   5.0007   26.947   5.6950 -16.44091 7.578904 
1 1 1    9   10   31 f   9.9424   4.5854  -0.5873   1.6634   0.7032   2.4177  -1.7474   2.2922   13.202   5.8573   10.409   4.9760 2.793261 7.685653 
1 1 1    9   10   32 o   11.198   4.6567   0.8498   1.3507   1.4858   1.9996   0.3160   1.8319   13.229   5.5938   11.212   5.0278 2.017256 7.521312 
1 1 1    9   11    0 o  116.248   3.0153  106.266   5.4924  106.266   5.4924  106.266   5.4924  116.248   3.0153  116.248   3.0153 -0.000000 0.000000 
1 1 1    9   11    1 o  373.203   1.9353  1093.03   11.335  1104.74   16.119  1081.56   15.942  375.171   2.7378  371.215   2.7365 3.956146 3.870915 
1 1 1    9   11    2 o  208.369   1.6247  340.713   5.3126  337.610   7.4515  343.921   7.5763  207.407   2.2893  209.337   2.3063 -1.929352 3.249602 
1 1 1    9   11    3 o  180.220   1.6313  254.879   4.6135  253.840   6.4573  255.962   6.5939  179.843   2.2880  180.593   2.3267 -0.7497406 3.263162 
1 1 1    9   11    4 o  143.963   1.7436  162.645   3.9393  166.394   5.4228  158.457   5.7320  145.605   2.3732  142.086   2.5707 3.518311 3.498654 
1 1 1    9   11    5 o   73.184   2.1992   42.073   2.5228   43.609   3.6185   40.620   3.5193   74.469   3.1031   71.866   3.1280 2.603615 4.406092 
1 1 1    9   11    6 o  318.282   1.7988  795.002   8.9847  803.921   13.872  788.557   11.792  320.028   2.7621  316.971   2.3707 3.057404 3.640012 
1 1 1    9   11    7 o  253.277   1.5617  503.412   6.2074  506.951   8.8457  499.978   8.7132  254.148   2.2179  252.395   2.1998 1.753311 3.123806 
1 1 1    9   11    8 o  265.712   1.7050  554.091   7.1097  554.536   9.3992  553.496   10.870  265.800   2.2534  265.536   2.6084 0.2643738 3.446966 
1 1 1    9   11    9 o  159.877   1.5853  200.602   3.9775  198.385   5.4421  203.145   5.8279  158.977   2.1814  160.869   2.3085 -1.892380 3.176088 
1 1 1    9   11   10 o  336.563   1.8348  889.119   9.6911  881.090   14.757  895.207   12.850  334.961   2.8074  337.669   2.4250 -2.707642 3.709729 
1 1 1    9   11   11 o  193.501   1.5037  293.885   4.5660  288.043   6.4385  299.796   6.4763  191.537   2.1420  195.407   2.1119 -3.870361 3.008075 
1 1 1    9   11   12 o  155.240   1.5924  189.188   3.8795  194.954   5.5354  183.621   5.4387  157.551   2.2388  152.901   2.2666 4.649551 3.185891 
1 1 1    9   11   13 o   31.452   3.9984   7.9157   1.9290   9.3194   2.7677   6.5896   2.6900   33.940   5.3751   28.307   6.2254 5.633560 8.224801 
1 1 1    9   11   14 o   45.653   2.8060   16.451   2.0006   14.388   2.8693   18.403   2.7908   42.487   4.3654   48.193   3.7189 -5.705791 5.734672 
1 1 1    9   11   15 o  126.714   1.5812  126.095   3.1442  129.523   4.5405  122.936   4.3582  128.369   2.2539  125.065   2.2205 3.303337 3.164016 
1 1 1    9   11   16 o   54.388   2.4850   23.318   2.1154   24.747   3.0805   22.043   2.9100   55.907   3.5291   52.750   3.5357 3.156670 4.995552 
1 1 1    9   11   17 o   28.323   4.5164   6.5106   1.9401   5.0635   2.7801   7.8841   2.7086   24.748   6.9002   30.966   5.7865 -6.217287 9.005391 
1 1 1    9   11   18 o   45.800   2.9269   16.607   2.0927   16.136   3.0223   17.042   2.9005   44.901   4.3434   46.215   4.0399 -1.314148 5.931811 
1 1 1    9   11   19 o  128.023   1.8341  128.902   3.6848  127.832   5.3441  129.872   5.0876  127.326   2.6745  128.372   2.5254 -1.045799 3.678440 
1 1 1    9   11   20 o   16.875   6.1163   1.9477   2.0861   9.7747   3.1323  -4.2909   2.7965   34.297   6.0403   11.049   5.3368 23.24743 8.060158 
1 1 1    9   11   21 o   24.422   5.5061   5.0147   2.0597   5.5097   3.0314   4.5902   2.8071   25.418   7.2469   23.385   7.0593 2.033360 10.11695 
1 1 1    9   11   22 o   51.960   2.5840   21.427   2.1004   21.456   3.0282   21.399   2.9158   51.673   3.7601   51.648   3.6205 0.2536011E-01 5.219801 
1 1 1    9   11   23 o   24.037   5.2055   4.8979   1.9066   2.7060   2.7137   7.0345   2.6793   19.146   6.9707   28.592   6.1536 -9.446312 9.298235 
1 1 1    9   11   24 o   36.905   3.9674   11.124   2.2617   9.3384   3.2559   12.788   3.1440   32.693   6.5742   39.051   5.2644 -6.357765 8.422252 
1 1 1    9   11   25 o   48.781   2.8691   19.084   2.1867   17.173   3.1328   20.900   3.0536   45.583   4.4355   50.616   3.8737 -5.033520 5.888870 
1 1 1    9   11   26 o   14.562   5.8284   1.1539   2.0195   0.9184   2.9989   1.3493   2.7317   16.204   6.8510   16.320   6.6880 -0.1164093 9.574224 
1 1 1    9   11   27 o   12.013   5.3116  -0.1777   1.9718  -0.5004   2.8545   0.1167   2.7269   13.820   6.2301   14.252   6.2764 -0.4320498 8.843469 
1 1 1    9   11   28 f   32.721   4.0689   9.2093   2.0444   9.5356   2.9409   8.9041   2.8439   31.653   6.1421   30.560   6.1434 1.093891 8.687111 
1 1 1    9   11   29 o   9.7160   4.5946  -1.5397   1.8505  -2.6144   2.6934  -0.5789   2.5467   11.084   5.3241   12.546   5.7446 -1.461699 7.832363 
1 1 1    9   11   30 o   20.311   5.9821   4.2062   2.0352   4.4868   3.1069   3.9953   2.6935   19.917   7.4223   19.217   6.9520 0.7004108 10.16965 
1 1 1    9   11   31 f   10.320   4.6865  -0.1735   1.6509   2.7999   2.4389  -2.6879   2.2428   16.019   6.4072   9.4332   4.6068 6.585453 7.891430 
1 1 1    9   12    0 o   60.013   3.6975   28.589   3.4517   28.589   3.4517   28.589   3.4517   60.013   3.6975   60.013   3.6975 0.000000 0.000000 
1 1 1    9   12    1 o  278.315   1.6195  607.860   7.0735  613.769   10.051  602.062   9.9565  279.647   2.2903  276.967   2.2907 2.680054 3.239296 
1 1 1    9   12    2 o  322.102   1.6934  814.185   8.5596  823.567   12.210  805.119   12.003  323.930   2.4020  320.281   2.3880 3.648163 3.387031 
1 1 1    9   12    3 o  136.609   1.6439  146.450   3.5243  147.687   4.9777  145.207   4.9905  137.175   2.3123  136.018   2.3380 1.157227 3.288290 
1 1 1    9   12    4 o   87.795   2.1508   60.495   2.9633   61.052   4.4033   60.034   4.0064   88.129   3.1891   87.403   2.9250 0.7259903 4.327357 
1 1 1    9   12    5 o  311.564   1.6853  761.796   8.2403  772.454   11.780  751.583   11.531  313.712   2.3928  309.446   2.3745 4.266327 3.371031 
1 1 1    9   12    6 o  322.837   1.8318  817.963   9.2805  803.007   12.949  833.758   13.307  319.840   2.5799  325.906   2.6019 -6.065521 3.664137 
1 1 1    9   12    7 o  170.077   1.7028  227.016   4.5448  228.376   6.3957  225.629   6.4595  170.568   2.3894  169.538   2.4279 1.030350 3.406413 
1 1 1    9   12    8 o   49.430   3.7413   19.305   2.8806   19.011   3.4834   19.939   5.1231   48.964   4.5868   49.867   6.7171 -0.9031754 8.133759 
1 1 1    9   12    9 o  111.018   2.2606   96.762   3.9385   92.209   4.9935  104.258   6.4067  108.313   2.9405  115.135   3.5501 -6.822212 4.609704 
1 1 1    9   12   10 o  136.648   1.9657  146.597   4.2154  149.969   6.2326  143.754   5.7229  138.167   2.8745  135.283   2.6956 2.883392 3.940705 
1 1 1    9   12   11 o  173.272   1.5605  235.689   4.2434  242.003   6.2406  230.258   5.7871  175.533   2.2655  171.228   2.1537 4.304474 3.125822 
1 1 1    9   12   12 o   61.143   2.3364   29.415   2.2377   29.578   3.2304   29.264   3.1027   61.222   3.3754   60.907   3.2579 0.3148689 4.691222 
1 1 1    9   12   13 o   53.812   2.5375   22.813   2.1368   21.216   3.0477   24.357   2.9968   51.759   3.7782   55.516   3.4569 -3.757278 5.121025 
1 1 1    9   12   14 o  112.155   1.6747   98.790   2.9475   99.059   4.1914   98.528   4.1457  112.254   2.3793  111.954   2.3597 0.2998276 3.351004 
1 1 1    9   12   15 o   98.430   1.7761   76.116   2.7435   75.490   3.9109   76.722   3.8495   97.927   2.5471   98.731   2.4865 -0.8039322 3.559555 
1 1 1    9   12   16 o   20.290   5.8119   3.3604   1.9453   2.1194   2.8270   4.4764   2.6809   18.764   7.0620   23.403   6.8586 -4.639021 9.844416 
1 1 1    9   12   17 o   40.654   3.2833   13.130   2.0769   11.114   2.9926   15.003   2.8846   36.988   5.3075   43.298   4.3022 -6.309910 6.832169 
1 1 1    9   12   18 o   65.208   2.4261   33.538   2.4784   32.762   3.5126   34.308   3.4974   64.269   3.4959   65.791   3.3989 -1.522522 4.875873 
1 1 1    9   12   19 o   53.642   2.8155   22.782   2.3619   20.665   3.3894   24.781   3.2930   50.774   4.2940   55.756   3.7860 -4.982052 5.724689 
1 1 1    9   12   20 o   19.483   6.1654   3.0660   2.1119   1.2193   2.9925   4.8985   2.9809   17.384   7.0464   24.168   7.2700 -6.784008 10.12444 
1 1 1    9   12   21 o   36.910   3.7119   10.977   2.1209   9.3998   2.9813   12.592   3.0178   33.462   5.8926   39.159   5.0265 -5.696869 7.745260 
1 1 1    9   12   22 o   19.155   6.1038   3.0191   2.0669   2.3906   2.8948   3.6727   2.9520   18.885   7.1376   21.348   7.3147 -2.463257 10.22010 
1 1 1    9   12   23 o   23.141   5.9565   4.6289   2.1758   6.2076   3.1488   3.1862   3.0100   26.442   7.3327   20.338   7.3504 6.103817 10.38248 
1 1 1    9   12   24 o   32.285   5.1917   8.8169   2.5413   11.731   3.5671   5.8137   3.6212   36.705   6.4268   25.370   8.0787 11.33508 10.32326 
1 1 1    9   12   25 o   39.591   3.3892   12.744   2.0855   10.382   2.9771   15.020   2.9223   34.634   5.6738   42.492   4.4483 -7.857754 7.209643 
1 1 1    9   12   26 o   12.804   5.4288   0.4029   1.8920   0.5104   2.7105   0.3007   2.6421   14.909   6.4139   14.482   6.2815 0.4269772 8.977506 
1 1 1    9   12   27 o   14.290   5.6294   1.3746   1.8557   5.2379   2.6853  -2.1566   2.5673   23.049   6.8924   11.402   5.3977 11.64743 8.754406 
1 1 1    9   12   28 o   10.330   4.7701  -0.9113   1.8086  -2.1710   2.5940   0.2803   2.5229   11.262   5.3587   13.591   6.0088 -2.328417 8.051183 
1 1 1    9   12   29 o   23.896   4.9706   5.3070   1.8032   3.4393   2.5455   7.1885   2.5548   18.437   6.7451   26.808   6.1969 -8.370916 9.159600 
1 1 1    9   12   30 o   12.622   5.1994   1.0474   1.6621   0.5662   2.3709   1.5125   2.3308   13.112   5.8097   14.389   6.0595 -1.277624 8.394675 
1 1 1    9   12   31 o   12.263   5.2484   1.0070   1.7977   0.8249   2.5763   1.1798   2.5096   13.033   5.8931   13.377   5.9493 -0.3430920 8.373959 
1 1 1    9   13    0 o  193.054   2.3844  292.618   7.2214  292.618   7.2214  292.618   7.2214  193.054   2.3844  193.054   2.3844 -0.000000 0.000000 
1 1 1    9   13    1 o  227.657   1.5943  406.725   5.6960  401.972   8.0001  411.611   8.1119  226.307   2.2526  229.005   2.2572 -2.697021 3.188931 
1 1 1    9   13    2 o  216.194   1.5848  366.797   5.3768  369.771   7.6304  363.863   7.5778  217.053   2.2401  215.312   2.2427 1.741119 3.169832 
1 1 1    9   13    3 o   44.776   3.5638   15.843   2.4835   19.253   3.5410   12.541   3.4842   49.287   4.6324   39.524   5.7890 9.763153 7.414353 
1 1 1    9   13    4 o  240.915   1.5912  455.490   6.0157  456.804   8.5064  454.176   8.5085  241.242   2.2469  240.547   2.2539 0.6952209 3.182596 
1 1 1    9   13    5 o   55.532   2.8724   24.277   2.4947   19.956   3.5165   28.654   3.5397   50.192   4.5125   60.282   3.7604 -10.09028 5.873971 
1 1 1    9   13    6 o  127.006   1.7103  126.599   3.4089  125.108   4.8462  128.060   4.7960  126.239   2.4463  127.721   2.3928 -1.482040 3.421949 
1 1 1    9   13    7 o  270.418   1.6260  573.938   6.9004  569.807   9.7317  578.115   9.7858  269.406   2.3018  271.364   2.2979 -1.957184 3.252522 
1 1 1    9   13    8 o  268.880   1.7927  567.508   7.5644  561.346   9.7206  576.967   12.044  267.380   2.3166  271.030   2.8318 -3.649170 3.658677 
1 1 1    9   13    9 o   56.128   2.7154   24.806   2.3847   21.625   3.3597   28.036   3.3853   52.265   4.1297   59.602   3.6367 -7.336815 5.502728 
1 1 1    9   13   10 o  232.907   1.8917  425.951   6.9142  425.797   9.4772  426.125   10.110  232.790   2.5942  232.857   2.7666 -0.6770325E-01 3.792621 
1 1 1    9   13   11 o  130.034   1.6528  132.764   3.3728  131.016   4.7769  134.502   4.7628  129.131   2.3573  130.840   2.3196 -1.709488 3.307159 
1 1 1    9   13   12 o   32.789   4.4231   8.6332   2.2179   9.5768   3.0012   7.4978   3.2921   34.319   5.7776   30.107   7.0865 4.212196 9.143242 
1 1 1    9   13   13 o   84.793   2.2859   56.554   3.0391   55.137   4.1916   58.125   4.4126   83.625   3.1999   85.853   3.2812 -2.228348 4.583234 
1 1 1    9   13   14 o  138.729   1.8812  151.223   4.0955  156.886   5.8226  145.678   5.7616  141.210   2.6275  136.062   2.6983 5.147415 3.766280 
1 1 1    9   13   15 f   41.114   3.9028   13.475   2.4879   9.5218   3.4686   17.663   3.5705   33.909   6.7555   46.934   4.9209 -13.02444 8.357758 
1 1 1    9   13   16 o   65.252   2.7233   33.601   2.7825   37.298   3.9482   29.953   3.9221   68.597   3.6812   61.373   4.0957 7.224239 5.506857 
1 1 1    9   13   17 o   51.515   2.7685   20.983   2.2299   20.512   3.1881   21.435   3.1202   50.713   4.0392   51.884   3.8597 -1.171101 5.586849 
1 1 1    9   13   18 o   33.091   4.1308   8.8312   2.0985   6.5891   3.0126   10.944   2.9248   27.945   6.9090   36.626   5.2376 -8.680204 8.669909 
1 1 1    9   13   19 o   99.015   1.8554   77.175   2.8830   75.946   4.0934   78.385   4.0611   98.020   2.6636   99.599   2.6005 -1.579239 3.722510 
1 1 1    9   13   20 f   15.359   6.0643   1.1729   2.1578  -0.4415   2.8185   3.4589   3.3540   14.626   6.4130   21.576   7.7640 -6.950150 10.07008 
1 1 1    9   13   21 o   43.102   3.2545   14.876   2.1851   16.335   3.0991   13.432   3.0813   44.797   4.4679   40.407   4.9634 4.389545 6.678151 
1 1 1    9   13   22 o   11.308   5.2737  -1.9317   2.2951   1.3122   3.2194  -5.2844   3.2729   17.674   7.2537   11.595   5.6408 6.079192 9.188851 
1 1 1    9   13   23 o   42.991   3.3022   14.895   2.2108   16.956   3.1431   12.877   3.1101   45.406   4.4688   39.201   5.1824 6.204880 6.843068 
1 1 1    9   13   24 o   26.154   5.5781   5.9391   2.2196   5.7619   3.0202   6.1473   3.2729   25.189   7.2501   25.899   7.5749 -0.7100945 10.48537 
1 1 1    9   13   25 o   26.535   5.1620   6.1108   2.0721   4.2686   2.9236   7.9703   2.9374   21.761   7.2807   29.665   6.4905 -7.904078 9.753707 
1 1 1    9   13   26 o   9.0101   4.4205  -3.7670   2.1379  -6.1612   3.0741  -1.5242   2.9753   10.228   5.0705   13.081   6.0678 -2.853020 7.907454 
1 1 1    9   13   27 o   13.517   5.5844   0.9690   1.9247   1.4687   2.7491   0.4884   2.6957   15.740   6.6016   14.328   6.2772 1.412583 9.109617 
1 1 1    9   13   28 o   12.246   5.3127   0.3676   1.8909  -0.5400   2.7015   1.2392   2.6476   12.913   5.9141   14.950   6.3832 -2.036789 8.701814 
1 1 1    9   13   29 o   12.853   5.3726   0.9252   1.8115   2.9326   2.6141  -0.9294   2.5126   17.293   6.7197   11.938   5.5507 5.354883 8.715735 
1 1 1    9   13   30 o   11.210   4.9920   0.2126   1.7725  -0.0555   2.5268   0.4722   2.4869   12.345   5.6781   12.857   5.8040 -0.5126600 8.119535 
1 1 1    9   14    0 o  324.394   2.4729  826.039   12.587  826.039   12.587  826.039   12.587  324.394   2.4729  324.394   2.4729 -0.000000 0.000000 
1 1 1    9   14    1 o   28.631   5.7741   6.6800   2.5047   8.0803   3.5983   5.3638   3.4885   31.398   7.4209   26.011   7.8734 5.386610 10.81947 
1 1 1    9   14    2 o  227.306   1.6173  405.500   5.7690  413.030   8.2417  398.266   8.0778  229.382   2.2896  225.245   2.2852 4.136826 3.234877 
1 1 1    9   14    3 o   85.067   2.1955   56.842   2.9285   59.437   4.1790   54.337   4.1050   86.945   3.0676   83.121   3.1527 3.823601 4.398839 
1 1 1    9   14    4 o  236.694   1.6049  439.701   5.9614  449.301   8.5202  430.495   8.3439  239.234   2.2694  234.174   2.2705 5.060150 3.210232 
1 1 1    9   14    5 o  150.034   1.6548  176.680   3.8962  174.424   5.4858  178.976   5.5347  149.051   2.3453  150.984   2.3359 -1.932739 3.310106 
1 1 1    9   14    6 o  137.926   1.7826  149.330   3.8583  153.003   5.5871  145.982   5.3347  139.583   2.5506  136.345   2.4932 3.237518 3.566780 
1 1 1    9   14    7 o  261.922   1.6353  538.510   6.7217  543.378   9.5596  533.751   9.4531  263.049   2.3158  260.709   2.3105 2.340179 3.271280 
1 1 1    9   14    8 o   12.039   5.6275  -2.5961   2.6384   3.1185   3.7493  -8.2020   3.7135   22.218   8.1767   11.514   5.6830 10.70444 9.957599 
1 1 1    9   14    9 o  201.684   1.6914  319.374   5.3534  314.210   7.4908  324.764   7.6535  199.984   2.3869  203.313   2.3988 -3.329498 3.383955 
1 1 1    9   14   10 o  244.452   1.8564  469.298   7.1213  470.378   10.138  468.246   10.006  244.622   2.6408  244.071   2.6123 0.5502014 3.714573 
1 1 1    9   14   11 o  139.659   1.7714  153.186   3.8823  156.921   5.5115  149.508   5.4696  141.288   2.4858  137.906   2.5273 3.381622 3.544914 
1 1 1    9   14   12 o  107.321   1.7976   90.474   3.0275   90.285   4.2961   90.660   4.2672  107.149   2.5550  107.373   2.5324 -0.2241974 3.597370 
1 1 1    9   14   13 o   91.117   1.9908   65.248   2.8466   67.828   3.9745   62.530   4.0790   92.797   2.7322   89.071   2.9222 3.726341 4.000511 
1 1 1    9   14   14 o   83.448   2.0225   54.744   2.6486   55.538   3.8037   53.996   3.6902   83.918   2.8926   82.751   2.8459 1.167488 4.057878 
1 1 1    9   14   15 o   54.257   2.6947   23.246   2.2873   25.591   3.2637   20.983   3.2064   56.785   3.6823   51.337   4.0118 5.447586 5.445523 
1 1 1    9   14   16 o   39.248   3.6086   12.284   2.1977   13.854   3.1404   10.777   3.0767   41.432   4.9263   36.318   5.5763 5.113918 7.440638 
1 1 1    9   14   17 o   40.594   3.5529   13.145   2.2405   10.710   3.2146   15.446   3.1245   36.065   5.8824   43.799   4.6151 -7.734936 7.476743 
1 1 1    9   14   18 o   80.876   2.2772   51.603   2.8873   51.541   4.0775   51.665   4.0891   80.609   3.2299   80.703   3.2353 -0.9486389E-01 4.571584 
1 1 1    9   14   19 o   67.593   2.5045   36.146   2.6520   37.544   3.7875   34.800   3.7146   68.615   3.5293   66.033   3.5982 2.582291 5.040151 
1 1 1    9   14   20 o   30.863   5.4922   7.9816   2.5625   6.8990   3.6828   8.9976   3.5678   28.038   7.9858   32.181   7.2404 -4.142891 10.77940 
1 1 1    9   14   21 o   36.557   3.9630   10.865   2.2372   8.9785   3.2312   12.601   3.1007   32.220   6.6122   38.942   5.2039 -6.722672 8.414372 
1 1 1    9   14   22 f   38.918   3.9219   12.337   2.3626   9.6160   3.1141   16.027   3.6267   33.413   6.1659   43.748   5.3968 -10.33501 8.194179 
1 1 1    9   14   23 o   60.974   2.5374   29.631   2.4227   28.062   3.4244   31.204   3.4280   58.808   3.7298   62.129   3.5304 -3.320683 5.135686 
1 1 1    9   14   24 o   44.934   3.4892   16.442   2.4411   16.917   3.3048   15.872   3.6214   44.895   4.7634   43.027   5.4879 1.867401 7.266885 
1 1 1    9   14   25 o   12.413   5.5180  -0.3301   2.1563  -2.4375   3.0533   1.7670   3.0457   12.609   5.9441   17.234   7.0622 -4.624867 9.230802 
1 1 1    9   14   26 o   17.073   6.1869   2.5359   2.1343   5.0468   3.0650   0.1721   2.9739   22.334   7.4543   14.627   6.4925 7.706820 9.885309 
1 1 1    9   14   27 o   12.568   5.5251   0.2014   2.1044   4.2984   3.0435  -3.5518   2.9130   20.305   7.3836   11.020   5.3520 9.285409 9.119315 
1 1 1    9   14   28 o   20.255   6.4267   4.2356   2.2934   4.6174   3.2379   3.8512   3.2488   20.378   7.5805   19.123   7.4739 1.255507 10.64530 
1 1 1    9   14   29 o   10.717   4.9969  -0.9259   2.0588  -1.9432   3.1212  -0.1423   2.7392   12.128   5.8002   12.966   5.9446 -0.8381100 8.305450 
1 1 1    9   14   30 o   10.601   4.8814  -0.2775   1.8750   0.5256   2.6151  -1.1272   2.6897   12.779   5.8400   11.385   5.4281 1.394557 7.973037 
1 1 1    9   15    0 o  139.542   2.4995  152.990   5.4696  152.990   5.4696  152.990   5.4696  139.542   2.4995  139.542   2.4995 0.000000 0.000000 
1 1 1    9   15    1 o  311.440   1.7515  761.349   8.5606  754.833   12.051  767.986   12.163  310.048   2.4768  312.738   2.4782 -2.689514 3.503729 
1 1 1    9   15    2 o  256.876   1.8498  517.974   7.4569  517.657   10.927  518.249   10.202  256.735   2.7121  256.897   2.5305 -0.1617432 3.709288 
1 1 1    9   15    3 o   36.576   5.0496   10.730   2.8212   13.143   4.0444   8.4432   3.9373   40.292   6.6265   32.042   7.8848 8.249641 10.29951 
1 1 1    9   15    4 o  102.838   2.2293   83.042   3.5976   87.543   5.1627   78.792   5.0161  105.505   3.1216  100.083   3.1978 5.422638 4.468844 
1 1 1    9   15    5 o   69.457   2.8416   37.968   3.0908   37.625   4.3984   38.302   4.3443   69.032   4.0783   69.662   3.9906 -0.6299362 5.705876 
1 1 1    9   15    6 o  215.086   1.7151  363.201   5.7891  363.817   8.2787  362.611   8.0982  215.205   2.4513  214.853   2.4018 0.3522797 3.431887 
1 1 1    9   15    7 o  154.243   1.7594  186.803   4.2587  183.010   6.0659  190.490   5.9804  152.613   2.5328  155.708   2.4474 -3.094788 3.522055 
1 1 1    9   15    8 o  198.257   1.8299  308.671   5.6934  317.905   8.1156  299.722   7.9892  201.118   2.5714  195.278   2.6070 5.840805 3.661757 
1 1 1    9   15    9 o   44.524   3.6446   15.716   2.5242   10.994   3.5684   20.445   3.5712   36.703   6.4295   50.700   4.5364 -13.99737 7.868745 
1 1 1    9   15   10 o  169.307   1.8787  225.171   4.9917  221.968   6.6058  229.434   7.6213  168.027   2.5052  170.780   2.8437 -2.753799 3.789808 
1 1 1    9   15   11 o  150.260   1.7770  177.360   4.1901  175.708   5.9856  178.947   5.8676  149.468   2.5518  150.850   2.4786 -1.381348 3.557431 
1 1 1    9   15   12 o   82.379   2.3405   53.412   3.0227   54.485   4.1965   52.255   4.3575   83.089   3.2244   81.339   3.4214 1.750832 4.701418 
1 1 1    9   15   13 f   44.279   3.6800   15.588   2.5340   17.143   3.5074   13.890   3.6651   46.226   4.9099   41.359   5.8066 4.866753 7.604191 
1 1 1    9   15   14 o   49.473   3.3488   19.409   2.5846   18.685   3.5372   20.239   3.7859   48.282   4.7290   50.238   4.8627 -1.956558 6.783074 
1 1 1    9   15   15 o   75.732   2.4380   45.216   2.8938   47.904   4.0853   42.509   4.0995   77.792   3.3543   73.227   3.5782 4.565285 4.904617 
1 1 1    9   15   16 o   35.327   4.4637   10.083   2.4195   8.9588   3.3431   11.319   3.5061   32.702   6.7385   36.996   6.2621 -4.293755 9.199008 
1 1 1    9   15   17 o   64.433   2.7577   32.852   2.7820   32.317   4.0306   33.339   3.8445   63.594   4.0600   64.665   3.8053 -1.071426 5.564516 
1 1 1    9   15   18 o   40.969   3.8930   13.498   2.4729   9.7022   3.4647   17.439   3.5307   33.815   6.7656   46.303   4.9348 -12.48845 8.374086 
1 1 1    9   15   19 o   18.332   6.6643   2.3955   2.4791   0.4853   3.6929   3.9627   3.3449   17.738   7.5552   22.376   7.7809 -4.637918 10.84547 
1 1 1    9   15   20 f   44.866   4.0999   16.329   2.8548   14.220   4.2589   18.050   3.8470   40.641   6.9258   46.675   5.3485 -6.034050 8.750578 
1 1 1    9   15   21 o   14.749   6.1807   0.5652   2.4066   4.0841   3.2743  -3.5693   3.5491   22.217   7.6998   13.396   6.3433 8.820696 9.976229 
1 1 1    9   15   22 o   68.072   2.7339   36.987   2.9145   36.880   3.9679   37.112   4.2951   67.466   3.7627   67.495   4.0739 -0.2912903E-01 5.545698 
1 1 1    9   15   23 o   13.876   6.0061   0.1005   2.4052   4.5468   3.2808  -5.0656   3.5364   22.642   7.7125   12.208   5.9216 10.43403 9.723551 
1 1 1    9   15   24 o   18.712   6.8298   2.8743   2.6075   4.4393   3.3489   0.4646   4.1554   22.092   7.7781   17.611   7.7521 4.480686 10.98149 
1 1 1    9   15   25 o   17.624   6.1836   2.7322   2.1153   3.9893   3.0035   1.4949   2.9796   20.540   7.3526   16.450   6.8842 4.090448 10.07240 
1 1 1    9   15   26 o   20.092   6.0970   3.9130   2.0901   1.2839   2.9647   6.5111   2.9471   15.727   6.7359   25.077   7.1441 -9.349718 9.818913 
1 1 1    9   15   27 o   12.129   5.3905   0.0383   2.0567   0.3142   2.9273  -0.2307   2.8902   14.196   6.3618   13.554   6.1729 0.6428909 8.864420 
1 1 1    9   15   28 o   9.7423   4.6475  -1.7879   1.9771  -2.0605   2.8208  -1.5247   2.7720   11.603   5.5397   11.927   5.6350 -0.3232374 7.901977 
1 1 1    9   15   29 o   11.295   5.0999   0.0490   1.9212   1.9240   2.7762  -1.6740   2.6614   14.938   6.4591   11.136   5.3339 3.801781 8.376718 
1 1 1    9   15   30 o   9.9564   4.7722  -1.3621   2.1384  -1.2239   3.1338  -1.4825   2.9253   11.778   5.6791   11.305   5.4598 0.4733791 7.877872 
1 1 1    9   16    0 o  265.320   2.3796  552.773   9.9062  552.773   9.9062  552.773   9.9062  265.320   2.3796  265.320   2.3796 0.000000 0.000000 
1 1 1    9   16    1 o   33.967   5.2866   9.3128   2.7263   10.313   3.8984   8.3555   3.8142   35.449   7.2524   31.829   7.7169 3.620041 10.58998 
1 1 1    9   16    2 o   66.933   2.7842   35.266   2.9181   36.817   4.2208   33.846   4.0389   68.283   3.9559   65.461   3.9500 2.822350 5.590288 
1 1 1    9   16    3 o  111.135   2.0452   96.995   3.5668   94.892   5.0789   99.043   5.0103  109.832   2.9493  112.220   2.8473 -2.387886 4.099500 
1 1 1    9   16    4 o   77.005   2.5553   46.646   3.0836   43.892   4.4217   49.254   4.3025   74.578   3.7905   79.047   3.4769 -4.469078 5.143608 
1 1 1    9   16    5 o  126.055   1.9470  124.794   3.8515  123.120   5.4764  126.431   5.4177  125.147   2.7885  126.824   2.7221 -1.676971 3.896847 
1 1 1    9   16    6 o   57.139   2.8664   25.736   2.5621   28.591   3.6576   22.986   3.5899   60.121   3.8978   53.829   4.2851 6.292347 5.792645 
1 1 1    9   16    7 o   78.701   2.2536   48.710   2.7804   51.734   3.9442   45.723   3.9202   81.029   3.1075   76.149   3.2882 4.879982 4.524273 
1 1 1    9   16    8 o   79.912   2.3794   50.239   2.9806   50.253   4.4182   50.228   4.0379   79.796   3.5370   79.814   3.2304 -0.1802826E-01 4.790231 
1 1 1    9   16    9 o   50.952   3.0866   20.511   2.4564   23.995   3.5014   17.135   3.4470   54.993   4.0865   46.304   4.8139 8.688828 6.314497 
1 1 1    9   16   10 o  152.920   1.8207  183.725   4.3692  184.993   5.8519  182.127   6.5678  153.370   2.4314  152.128   2.7511 1.241867 3.671529 
1 1 1    9   16   11 o   43.188   3.5924   14.819   2.4127   16.608   3.4324   13.071   3.3921   45.515   4.8817   40.186   5.5249 5.329460 7.372643 
1 1 1    9   16   12 o   39.231   3.8477   12.280   2.3384   11.061   3.3398   13.451   3.2751   36.768   5.9945   40.806   5.2348 -4.037903 7.958492 
1 1 1    9   16   13 o   62.263   2.6276   30.591   2.5617   27.759   3.6346   33.386   3.6110   59.092   3.9420   64.902   3.5590 -5.809654 5.310892 
1 1 1    9   16   14 o   27.488   5.8455   6.2771   2.4439   6.9382   3.5220   5.6632   3.3939   28.699   7.6723   26.132   7.7326 2.567068 10.89303 
1 1 1    9   16   15 o   16.898   6.4769   1.6215   2.4047   5.5080   3.5597  -1.6412   3.2615   25.834   7.9792   14.629   6.6209 11.20480 10.36847 
1 1 1    9   16   16 o   32.794   4.9889   8.8051   2.4866   10.466   3.6149   7.3132   3.4259   35.283   6.7749   29.272   7.4425 6.010284 10.06433 
1 1 1    9   16   17 o   12.002   5.4712  -1.3317   2.2767  -1.6787   3.1993  -0.9756   3.2407   14.318   6.5108   15.147   6.7470 -0.8285284 9.376167 
1 1 1    9   16   18 o   56.994   2.8106   25.807   2.5061   26.906   3.5948   24.767   3.4955   57.843   3.9846   55.466   4.0437 2.377148 5.676989 
1 1 1    9   16   19 o   46.518   3.3360   17.349   2.4191   19.563   3.4229   15.140   3.4194   48.998   4.5018   42.783   5.1996 6.214363 6.877626 
1 1 1    9   16   20 o   60.404   2.6871   29.050   2.5408   31.636   3.5822   26.433   3.6043   62.658   3.6590   57.086   4.0496 5.572521 5.457778 
1 1 1    9   16   21 o   11.466   5.2845  -1.4457   2.2042  -2.3444   3.1343  -0.5663   3.1005   13.246   6.1725   14.902   6.6210 -1.655638 9.051982 
1 1 1    9   16   22 o   10.443   4.9704  -2.5385   2.2355  -7.2987   3.1540   2.2669   3.1689   10.123   5.0379   18.670   7.3561 -8.547750 8.915869 
1 1 1    9   16   23 o   20.583   6.3205   3.7807   2.2375   4.3395   3.1662   3.2233   3.1623   21.964   7.5737   19.955   7.4777 2.009275 10.64316 
1 1 1    9   16   24 o   22.108   6.3462   4.5771   2.3170   8.5607   3.1264  -0.2768   3.4510   30.039   6.7920   15.306   6.8795 14.73223 9.667419 
1 1 1    9   16   25 o   25.332   5.7100   6.0058   2.2155   6.0355   3.1711   5.9775   3.0966   24.011   7.5491   23.972   7.4485 0.3901100E-01 10.60521 
1 1 1    9   16   26 o   16.174   6.3317   2.2251   2.3348   2.6837   3.3274   1.7803   3.2771   17.693   7.3290   16.479   7.0703 1.213959 10.18351 
1 1 1    9   16   27 o   21.324   6.4993   4.7732   2.3716   6.5432   3.4822   3.2418   3.2388   23.402   7.9460   18.076   7.3293 5.326313 10.81004 
1 1 1    9   16   28 o   12.053   5.4310   0.0755   2.1662   0.3474   3.0519  -0.2006   3.0752   13.836   6.3175   13.354   6.1853 0.4819565 8.841317 
1 1 1    9   16   29 o   12.031   5.4003   0.5501   2.1187   1.1542   3.0296  -0.0280   2.9640   13.764   6.2884   12.616   5.9188 1.148211 8.635750 
1 1 1    9   17    0 o   64.342   3.8468   32.892   3.8521   32.892   3.8521   32.892   3.8521   64.342   3.8468   64.342   3.8468 -0.000000 0.000000 
1 1 1    9   17    1 o   95.046   2.0940   70.964   3.1233   66.002   4.3974   76.016   4.4369   91.552   3.0650   98.279   2.8799 -6.727364 4.205741 
1 1 1    9   17    2 o   74.635   2.4205   43.821   2.8312   46.111   4.0578   41.649   3.9521   76.468   3.3899   72.657   3.4762 3.810799 4.855433 
1 1 1    9   17    3 o   76.668   2.3610   46.236   2.8373   48.273   4.0232   44.220   4.0020   78.252   3.2835   74.875   3.4149 3.377197 4.737400 
1 1 1    9   17    4 o   97.298   2.0507   74.372   3.1313   71.322   4.4296   77.418   4.4270   95.173   2.9694   99.175   2.8474 -4.001534 4.114027 
1 1 1    9   17    5 o  183.411   1.8031  264.214   5.1899  264.315   6.8312  264.076   7.9817  183.380   2.3738  183.239   2.7757 0.1405029 3.652289 
1 1 1    9   17    6 f   90.841   2.1311   64.846   3.0380   63.200   4.2998   66.487   4.2930   89.558   3.0639   91.871   2.9816 -2.312485 4.275221 
1 1 1    9   17    7 o   98.497   2.0953   76.242   3.2387   76.123   4.7444   76.347   4.4321   98.284   3.0798   98.457   2.8716 -0.1723251 4.210851 
1 1 1    9   17    8 o   52.102   3.7086   21.521   3.0125   23.023   4.6383   20.425   3.9618   53.561   5.6010   50.524   5.0649 3.036942 7.551468 
1 1 1    9   17    9 o   46.666   4.0872   17.339   2.9630   21.636   4.4664   13.962   3.9598   51.879   5.5733   41.387   6.2949 10.49226 8.407628 
1 1 1    9   17   10 o   21.140   7.1398   3.3718   2.8112  -1.3068   4.1041   7.5072   3.8584   17.161   7.6217   29.953   8.0407 -12.79135 11.07894 
1 1 1    9   17   11 o   61.905   3.2709   30.325   3.1664   33.350   4.6835   27.779   4.2973   64.660   4.6466   58.976   4.6815 5.683781 6.595993 
1 1 1    9   17   12 o   70.205   2.7749   38.911   3.0511   39.671   4.2287   38.085   4.4068   70.695   3.8258   69.210   4.0754 1.485664 5.589795 
1 1 1    9   17   13 o   53.958   3.2880   23.093   2.7709   24.257   4.0096   22.029   3.8336   55.008   4.6895   52.397   4.7125 2.610325 6.648286 
1 1 1    9   17   14 o   12.947   5.7035  -0.5615   2.2534  -2.4890   3.1876   1.3642   3.1860   13.621   6.3050   18.118   7.2968 -4.496955 9.643409 
1 1 1    9   17   15 o   25.411   5.9840   5.4307   2.3466   1.4984   3.2845   9.5304   3.3537   18.446   7.4158   33.671   6.5828 -15.22525 9.915962 
1 1 1    9   17   16 o   46.385   3.4143   17.183   2.4679   17.710   3.4770   16.649   3.5035   46.699   4.8133   45.196   5.0245 1.502701 6.957961 
1 1 1    9   17   17 o   36.287   4.3176   10.718   2.4105   8.6341   3.4129   12.792   3.4052   31.614   7.0579   39.205   5.7016 -7.591322 9.073171 
1 1 1    9   17   18 o   18.043   6.3961   2.4454   2.2676   2.5664   3.2161   2.3257   3.1977   19.670   7.5025   19.250   7.4452 0.4201241 10.56969 
1 1 1    9   17   19 o   46.528   3.5274   17.451   2.5564   17.801   3.4966   17.049   3.7470   46.449   4.8692   45.204   5.3879 1.245014 7.262118 
1 1 1    9   17   20 o   22.685   6.5638   4.5117   2.4694   5.2550   3.4581   3.7383   3.5273   24.351   7.9080   21.684   7.9390 2.666197 11.20557 
1 1 1    9   17   21 o   28.273   5.8133   6.9653   2.4931   7.1390   3.5151   6.7894   3.5365   27.776   7.7642   27.075   7.8612 0.7006741 11.04910 
1 1 1    9   17   22 o   10.027   4.8569  -3.4673   2.3579  -5.5195   3.3540  -1.4619   3.3156   11.445   5.5987   14.257   6.5379 -2.811969 8.607558 
1 1 1    9   17   23 o   12.693   5.7010  -0.5382   2.3652  -2.7223   3.3576   1.6132   3.3324   13.079   6.1860   17.403   7.2816 -4.324082 9.554473 
1 1 1    9   17   24 o   17.084   6.6075   2.3785   2.5186   1.1665   3.3403   3.9754   3.8341   16.377   7.0833   20.516   8.0889 -4.138617 10.75187 
1 1 1    9   17   25 o   13.849   5.9324   0.8100   2.3004  -1.3347   3.2118   3.0693   3.2965   13.282   6.2087   18.336   7.4088 -5.054025 9.666355 
1 1 1    9   17   26 o   9.9180   4.7827  -2.4722   2.2244  -3.4607   3.1270  -1.4597   3.1648   11.393   5.5360   12.872   6.0629 -1.478024 8.210152 
1 1 1    9   17   27 o   23.634   6.0220   5.7476   2.2396   2.6340   3.1358   8.9892   3.1996   16.820   7.0523   28.343   7.1850 -11.52358 10.06775 
1 1 1    9   17   28 o   18.864   6.2531   4.1460   2.1576   4.8087   3.0423   3.4754   3.0604   18.901   7.2748   16.847   7.0081 2.054129 10.10130 
1 1 1    9   18    0 o   39.030   7.3218   13.225   4.0230   13.225   4.0230   13.225   4.0230   39.030   7.3218   39.030   7.3218 -0.000000 0.000000 
1 1 1    9   18    1 o   16.898   6.7129   1.2169   2.6590   0.3419   3.6292   2.2310   3.9071   17.930   7.5565   21.035   8.2034 -3.104769 11.15334 
1 1 1    9   18    2 o   38.925   5.0449   12.185   3.0092   15.191   4.2965   9.2913   4.2160   43.226   6.5379   33.392   8.1242 9.834064 10.42814 
1 1 1    9   18    3 o   95.208   2.4879   71.326   3.7140   72.866   5.2350   69.766   5.2700   96.102   3.4769   94.018   3.5784 2.084206 4.989369 
1 1 1    9   18    4 o   37.056   5.2197   11.088   2.9514   5.5421   4.1417   16.810   4.2069   26.603   8.6555   45.607   6.0252 -19.00388 10.54608 
1 1 1    9   18    5 o   34.666   6.9893   9.9361   3.6709   8.2202   5.0488   11.860   5.3468   31.597   9.4514   37.552   9.1568 -5.955053 13.15964 
1 1 1    9   18    6 o   56.911   3.2441   25.606   2.8854   24.766   3.9886   26.529   4.1791   55.754   4.5996   57.706   4.6542 -1.952888 6.543554 
1 1 1    9   18    7 o   42.234   4.4613   14.273   2.9123   20.951   4.3204   8.7111   3.9426   51.052   5.4782   32.254   7.8618 18.79842 9.582191 
1 1 1    9   18    8 o   76.852   2.6596   46.558   3.2027   47.415   4.6464   45.783   4.4206   77.365   3.8391   76.042   3.7157 1.323418 5.342743 
1 1 1    9   18    9 o   22.723   6.6189   4.2310   2.5035   6.8789   3.4920   1.4309   3.5910   28.663   7.6291   19.169   7.7373 9.494246 10.86594 
1 1 1    9   18   10 o   53.349   3.3267   22.562   2.7713   22.051   3.7706   23.162   4.0870   52.490   4.6247   53.742   4.8998 -1.252026 6.737611 
1 1 1    9   18   11 o   70.332   2.6816   39.048   2.9544   38.347   4.0778   39.822   4.2862   69.498   3.7529   70.798   3.8725 -1.300522 5.392643 
1 1 1    9   18   12 o   20.956   6.7282   3.4927   2.5078   6.4049   3.4679   0.3007   3.6307   27.577   7.7132   17.688   7.5111 9.888174 10.76613 
1 1 1    9   18   13 o   22.483   6.4749   4.2008   2.4082   4.9440   3.3897   3.4433   3.4219   24.591   7.8146   21.858   7.8451 2.732721 11.07309 
1 1 1    9   18   14 o   33.011   4.9018   8.9225   2.4624   14.193   3.5255   3.9022   3.4407   41.592   5.5389   22.593   7.8893 18.99905 9.639507 
1 1 1    9   18   15 o   55.074   3.0674   24.124   2.6406   27.247   3.7657   21.102   3.7038   58.229   4.1481   51.037   4.6764 7.191525 6.251026 
1 1 1    9   18   16 o   51.734   3.3920   21.409   2.7387   23.870   3.7901   18.720   3.9617   54.262   4.4911   47.665   5.3909 6.597424 7.016517 
1 1 1    9   18   17 o   29.969   5.7828   7.6255   2.6212   7.9697   3.7669   7.3024   3.6497   29.913   7.9061   28.667   7.8730 1.246624 11.15757 
1 1 1    9   18   18 o   37.111   4.7154   11.389   2.6843   12.805   3.8072   9.9886   3.7852   38.551   6.5257   33.545   7.3902 5.005810 9.859025 
1 1 1    9   18   19 o   49.648   3.7636   19.999   2.9105   19.936   3.9725   20.073   4.2764   48.818   5.2687   48.737   5.6988 0.8081055E-01 7.761204 
1 1 1    9   18   20 o   15.610   6.4596   0.9601   2.5812   0.9745   3.6975   0.9464   3.6050   17.807   7.5713   17.608   7.4809 0.1989422 10.64371 
1 1 1    9   18   21 o   14.673   6.1873   0.6458   2.4355   0.5820   3.3447   0.7178   3.5533   16.486   7.1088   17.032   7.3357 -0.5466213 10.21501 
1 1 1    9   18   22 o   12.366   5.6324  -0.9467   2.4067  -0.4226   3.3349  -1.5163   3.4768   15.105   6.7780   14.369   6.6276 0.7363405 9.479824 
1 1 1    9   18   23 o   13.617   5.8992   0.3985   2.3248   2.0854   3.2591  -1.3491   3.3173   17.527   7.2562   13.844   6.4164 3.683207 9.686256 
1 1 1    9   18   24 o   29.103   5.8188   8.0380   2.5646   9.5305   3.5375   6.3844   3.7234   29.990   7.5287   23.709   8.2113 6.280907 11.14029 
1 1 1    9   18   25 o   13.020   5.7370   0.3656   2.2815  -0.0228   3.2393   0.7479   3.2138   14.292   6.5193   15.035   6.7067 -0.7426214 9.353168 
1 1 1    9   18   26 o   12.917   5.7406   0.3380   2.3324  -2.5184   3.2339   3.4346   3.3671   12.080   5.8106   18.146   7.4296 -6.066072 9.431945 
1 1 1    9   18   27 o   12.199   5.5188   0.1985   2.2634   0.8711   3.2212  -0.4573   3.1810   14.244   6.4988   13.022   6.1165 1.222310 8.924433 
1 1 1    9   18   28 o   11.095   5.1869  -0.3385   2.2429   1.9090   3.1696  -2.5927   3.1744   14.354   6.5086   10.996   5.3932 3.357359 8.452755 
1 1 1    9   19    0 o   29.213   9.0419   8.4535   3.6287   8.4535   3.6287   8.4535   3.6287   29.213   9.0419   29.213   9.0419 0.000000 0.000000 
1 1 1    9   19    1 o   35.337   4.8026   10.070   2.5944   10.206   3.6719   9.9336   3.6661   35.131   6.9065   34.632   6.9869 0.4991913 9.824310 
1 1 1    9   19    2 o   67.638   2.9729   36.103   3.1479   41.811   4.3986   30.111   4.5069   72.660   3.8715   61.478   4.7073 11.18217 6.094852 
1 1 1    9   19    3 o   78.880   2.6238   49.025   3.2434   46.923   4.4606   51.383   4.7244   77.008   3.7019   80.586   3.7460 -3.577484 5.266547 
1 1 1    9   19    4 o   64.104   3.0273   32.453   3.0369   34.637   4.2474   30.168   4.3437   66.056   4.1179   61.552   4.5286 4.504158 6.120889 
1 1 1    9   19    5 o   69.608   3.0201   38.259   3.2912   40.136   4.7951   36.588   4.5255   71.068   4.3198   67.853   4.2717 3.215492 6.075239 
1 1 1    9   19    6 o   63.397   3.1090   31.770   3.0837   31.851   4.2701   31.682   4.4578   63.261   4.3274   63.049   4.5357 0.2117195 6.268901 
1 1 1    9   19    7 o   66.548   3.1650   35.021   3.2958   32.932   4.6127   37.199   4.7109   64.248   4.6056   68.347   4.4158 -4.098885 6.380463 
1 1 1    9   19    8 f   76.302   2.5653   45.912   3.0673   42.575   4.2936   49.391   4.3835   73.261   3.7470   78.965   3.5464 -5.704071 5.159189 
1 1 1    9   19    9 o   55.873   3.1207   24.724   2.7254   21.652   3.8662   27.758   3.8426   51.937   4.7978   59.006   4.1767 -7.069340 6.361127 
1 1 1    9   19   10 o   52.609   3.2954   21.966   2.7070   23.828   3.8143   20.076   3.8425   54.544   4.4960   49.918   4.9712 4.626591 6.702714 
1 1 1    9   19   11 o  104.150   2.0820   85.399   3.4029   85.852   4.8209   84.949   4.8041  104.209   2.9509  103.657   2.9563 0.5511093 4.177016 
1 1 1    9   19   12 o   22.712   6.5358   4.3051   2.4546   7.9248   3.4449   0.5721   3.4984   30.488   7.2975   17.641   7.4259 12.84671 10.41138 
1 1 1    9   19   13 o   30.228   5.5494   7.6085   2.5355   4.5320   3.5503   10.811   3.6222   23.778   8.0237   35.791   6.6952 -12.01231 10.45013 
1 1 1    9   19   14 o   16.677   6.4359   1.6107   2.3857   4.3978   3.3595  -1.2248   3.3886   23.262   7.8048   15.208   6.8276 8.053984 10.36972 
1 1 1    9   19   15 o   44.076   3.7989   15.658   2.6020   17.347   3.6705   13.951   3.6891   45.907   5.1855   40.814   5.9333 5.093040 7.879961 
1 1 1    9   19   16 o   13.120   5.8336  -0.6509   2.4114  -3.7786   3.3896   2.5542   3.4312   12.902   6.1350   19.924   7.7105 -7.022061 9.853473 
1 1 1    9   19   17 o   13.261   5.8728  -0.5154   2.4194  -0.3818   3.4188  -0.6494   3.4244   15.924   7.0197   15.650   6.9555 0.2744036 9.882068 
1 1 1    9   19   18 o   13.777   6.0283  -0.1984   2.4791  -2.4385   3.4910   2.0807   3.5212   14.051   6.5364   19.091   7.6772 -5.039447 10.08282 
1 1 1    9   19   19 o   27.799   6.3729   6.8593   2.7207   7.4223   3.5991   6.1088   4.1559   28.274   7.8390   25.730   8.6811 2.544056 11.69663 
1 1 1    9   19   20 o   16.514   6.5153   1.7091   2.4889   0.3113   3.6098   2.9757   3.4363   16.670   7.2847   19.906   7.7128 -3.235643 10.60911 
1 1 1    9   19   21 o   19.397   7.3714   3.0636   3.0976  -1.3930   4.3597   7.6067   4.4018   16.187   7.4502   27.213   8.9276 -11.02586 11.62783 
1 1 1    9   19   22 o   13.753   6.0425   0.1729   2.5138  -2.0330   3.5098   2.4960   3.6019   13.704   6.4329   18.498   7.6404 -4.794391 9.987908 
1 1 1    9   19   23 o   19.573   7.0400   3.8093   2.7572   3.5596   3.9146   4.0552   3.8841   19.503   8.0009   20.147   8.0765 -0.6438637 11.36854 
1 1 1    9   19   24 o   15.362   6.5773   1.4343   2.8252  -0.5515   3.8924   3.6450   4.1070   14.838   6.9024   19.086   8.0408 -4.247698 10.59707 
1 1 1    9   19   25 o   9.7095   4.7371  -3.1552   2.3552  -2.7217   3.4955  -3.5156   3.1873   12.460   6.0054   11.389   5.5464 1.071285 8.174755 
1 1 1    9   19   26 o   15.420   6.1471   2.2708   2.2372   0.3594   3.1324   4.2611   3.1964   13.866   6.3573   18.720   7.3841 -4.853508 9.743761 
1 1 1    9   19   27 o   9.9075   4.7940  -1.8996   2.2823   4.0013   3.3866  -6.8092   3.0891   16.917   7.2211   9.0698   4.5780 7.847071 8.550036 
1 1 1    9   20    0 o   13.237   8.2873   0.8407   3.5513   0.8407   3.5513   0.8407   3.5513   13.237   8.2873   13.237   8.2873 -0.000000 0.000000 
1 1 1    9   20    1 o   24.265   6.5575   4.8862   2.5559   6.5582   3.5939   3.1749   3.6358   28.034   7.8560   21.885   8.0522 6.148794 11.24965 
1 1 1    9   20    2 o   41.078   4.1410   13.496   2.6330   13.830   3.7297   13.164   3.7177   41.189   5.9418   40.126   6.0954 1.062119 8.512254 
1 1 1    9   20    3 o   27.924   6.0040   6.4720   2.5528   7.9692   3.5628   4.8924   3.6594   30.796   7.4532   24.879   8.1387 5.916950 11.03585 
1 1 1    9   20    4 o   30.990   5.7451   7.9128   2.6911   6.8795   3.7996   8.9529   3.8121   28.660   8.0940   32.613   7.5912 -3.953125 11.09686 
1 1 1    9   20    5 o   42.266   4.1903   14.301   2.7428   9.5743   3.8953   18.948   3.8627   33.726   7.5486   48.491   5.1548 -14.76566 9.140735 
1 1 1    9   20    6 o   20.277   6.8547   3.1238   2.5912   4.7362   3.5970   1.3845   3.7359   24.483   8.0722   19.334   7.8598 5.148548 11.26661 
1 1 1    9   20    7 o   29.479   6.2424   7.2474   2.7978   8.0242   3.7454   6.2668   4.2083   30.776   7.7584   27.604   8.6990 3.171949 11.65613 
1 1 1    9   20    8 o   22.944   6.6881   4.3553   2.5552  -2.2631   3.6100   11.001   3.6174   14.957   6.8450   36.366   6.5807 -21.40968 9.495244 
1 1 1    9   20    9 f   17.159   6.6069   1.6533   2.5099   2.1472   3.5347   1.1510   3.5647   19.949   7.7961   18.590   7.6315 1.359016 10.90958 
1 1 1    9   20   10 o   49.511   3.7545   19.580   2.8954   17.205   3.9121   22.457   4.3055   45.904   5.5427   52.610   5.2866 -6.705849 7.659564 
1 1 1    9   20   11 o   21.962   7.0178   3.9299   2.7307   6.2175   3.8073   1.5067   3.9186   27.051   8.2330   19.623   8.0223 7.428455 11.49517 
1 1 1    9   20   12 o   41.108   4.4977   13.714   2.8542   13.525   4.0525   13.899   4.0206   40.056   6.6822   40.683   6.5174 -0.6272964 9.334254 
1 1 1    9   20   13 f   24.689   6.7768   5.2355   2.7050   11.239   3.8156  -0.8301   3.8352   36.203   6.9690   16.610   7.3728 19.59291 10.14522 
1 1 1    9   20   14 o   27.636   6.4450   6.5922   2.7435   11.320   3.7989   1.4377   3.9665   36.209   6.9379   19.314   8.0013 16.89556 10.59035 
1 1 1    9   20   15 f   49.193   3.9198   19.593   3.0011   22.842   4.3214   16.566   4.1710   52.488   5.3197   44.205   6.1813 8.283165 8.155215 
1 1 1    9   20   16 o   24.773   6.7138   5.4063   2.6747   6.3465   3.7432   4.4256   3.8231   26.524   8.1806   23.159   8.2947 3.364536 11.65011 
1 1 1    9   20   17 o   32.716   5.5130   9.1363   2.7299   10.639   3.8625   7.6360   3.8590   34.366   7.3822   28.711   8.1735 5.655031 11.01375 
1 1 1    9   20   18 o   17.513   6.6601   2.1515   2.5297   3.8727   3.5698   0.4153   3.5853   21.694   7.9794   16.907   7.3254 4.786844 10.83201 
1 1 1    9   20   19 o   13.517   6.1543  -1.1210   2.8698   2.2107   4.1041  -4.3084   4.0143   19.630   8.1363   13.667   6.5474 5.963116 10.44355 
1 1 1    9   20   20 o   15.515   6.3787   1.2247   2.4951   2.7879   3.5300  -0.3361   3.5272   19.381   7.7230   15.581   6.9828 3.800215 10.41168 
1 1 1    9   20   21 o   17.603   6.7721   2.5430   2.6356   0.6061   3.4914   5.1087   4.0184   16.093   7.0940   22.418   8.4233 -6.325268 11.01257 
1 1 1    9   20   22 o   12.061   5.5492  -0.8829   2.4160   0.1581   3.4393  -1.8971   3.3946   15.151   6.8335   13.286   6.2645 1.864974 9.270444 
1 1 1    9   20   23 o   10.136   4.8953  -2.6722   2.3517  -0.9008   3.2953  -4.5109   3.3573   13.627   6.3429   11.312   5.5476 2.314930 8.426655 
1 1 1    9   20   24 f   13.371   6.0383   0.1288   2.6953  -3.7847   3.8446   3.9110   3.7796   12.454   6.0710   18.928   7.8232 -6.474044 9.902527 
1 1 1    9   20   25 o   11.186   5.2230  -0.8964   2.2623  -1.7937   3.2081  -0.0087   3.1908   12.312   5.8862   13.709   6.3325 -1.396543 8.645668 
1 1 1    9   20   26 o   8.6678   4.3002  -3.6764   2.2273  -2.7457   3.1775  -4.5754   3.1229   11.102   5.4349   10.082   5.0170 1.019904 7.396462 
1 1 1    9   21    0 o   9.3960   6.5630  -3.4010   3.5516  -3.4010   3.5516  -3.4010   3.5516   9.3960   6.5630   9.3960   6.5630 0.000000 0.000000 
1 1 1    9   21    1 o   29.740   5.8555   7.3309   2.6355   8.3669   3.6971   6.2606   3.7579   31.454   7.5798   27.401   8.1438 4.052671 11.12546 
1 1 1    9   21    2 o   14.797   6.3052   0.0770   2.5740  -3.6078   3.6180   3.8538   3.6629   13.886   6.5226   22.959   8.1300 -9.072381 10.42310 
1 1 1    9   21    3 o   55.150   3.3121   24.131   2.8533   21.588   3.9813   26.817   4.0915   51.790   4.9591   57.879   4.5409 -6.089436 6.723993 
1 1 1    9   21    4 o   56.517   3.3175   25.346   2.9294   30.985   4.1985   19.996   4.0893   62.281   4.3225   49.713   5.3245 12.56796 6.858146 
1 1 1    9   21    5 o   39.350   4.5126   12.487   2.7362   13.013   3.9208   11.988   3.8203   39.628   6.5322   37.963   6.6552 1.665352 9.325292 
1 1 1    9   21    6 f   45.817   3.8791   16.781   2.7629   21.369   3.9184   12.244   3.8965   51.481   4.9095   38.324   6.7239 13.15762 8.325543 
1 1 1    9   21    7 o   20.495   6.8587   3.2696   2.5946   1.4051   3.6652   5.1424   3.6734   19.099   7.7772   25.124   8.1498 -6.024588 11.26516 
1 1 1    9   21    8 o   16.493   6.6131   1.1815   2.6047  -5.5040   3.6614   8.0321   3.7063   12.643   6.1067   30.584   7.7221 -17.94054 9.844920 
1 1 1    9   21    9 o   37.483   5.0828   11.504   2.9129   10.410   4.0304   12.701   4.2146   34.807   7.5928   38.678   7.2086 -3.871426 10.46974 
1 1 1    9   21   10 o   24.846   6.9421   5.2663   2.8108   5.3296   3.9560   5.2017   3.9945   25.400   8.4686   25.205   8.5109 0.1950397 12.00631 
1 1 1    9   21   11 o   29.993   6.1866   7.6452   2.8152   9.9730   4.0047   5.3712   3.9582   33.784   7.7225   25.347   8.4714 8.437054 11.46305 
1 1 1    9   21   12 o   61.217   3.0836   29.882   2.9528   34.437   4.2130   25.484   4.1398   65.326   4.1308   55.896   4.7648 9.429867 6.306118 
1 1 1    9   21   13 o   18.527   6.7690   2.4933   2.5622   1.8811   3.6070   3.1168   3.6402   19.205   7.7535   21.077   7.9953 -1.872269 11.13742 
1 1 1    9   21   14 o   46.596   3.7131   17.561   2.6927   17.466   3.7763   17.659   3.8406   45.746   5.3618   45.968   5.4285 -0.2223930 7.630045 
1 1 1    9   21   15 o   12.413   5.6953  -1.4642   2.5204  -0.2445   3.5110  -2.7608   3.6201   16.200   7.1286   14.119   6.5972 2.081328 9.712843 
1 1 1    9   21   16 o   38.129   4.7430   12.134   2.7768   11.736   3.8182   12.581   4.0457   36.312   6.9535   37.516   7.1323 -1.204601 9.960958 
1 1 1    9   21   17 o   22.092   6.9202   4.3507   2.6671   6.8920   3.7518   1.7543   3.7922   27.037   8.1611   18.817   7.8121 8.219551 11.29746 
1 1 1    9   21   18 o   16.351   6.6487   1.4471   2.6741   3.8996   3.7380  -1.1237   3.8271   21.516   8.1155   15.607   7.1062 5.909051 10.78697 
1 1 1    9   21   19 o   11.314   5.4368  -3.3449   2.8167  -4.8224   3.9690  -1.8457   3.9980   13.069   6.3233   15.114   7.0186 -2.044957 9.446964 
1 1 1    9   21   20 o   12.177   5.7597  -2.2697   2.9110   5.0421   4.1175  -9.5763   4.1160   22.256   8.4889   11.020   5.5250 11.23584 10.12853 
1 1 1    9   21   21 o   14.074   6.3076   0.0692   2.8784   1.3521   4.0553  -1.2333   4.0862   17.117   7.5905   14.959   6.9961 2.157481 10.32280 
1 1 1    9   21   22 f   20.260   7.1671   4.4240   2.8460   4.8384   4.0105   4.0036   4.0393   20.553   8.2179   19.479   8.0725 1.074675 11.51954 
1 1 1    9   21   23 o   15.126   6.3514   1.6731   2.5491   2.1330   3.7301   1.2702   3.4917   16.797   7.3708   15.678   6.9925 1.118627 10.15991 
1 1 1    9   21   24 o   13.833   6.1730   0.7296   2.7254   0.7125   3.8320   0.7472   3.8771   15.139   6.9739   15.213   7.0104 -0.7372665E-01 9.888402 
1 1 1    9   21   25 o   10.563   5.0810  -1.7021   2.4730  -1.2728   3.4888  -2.1358   3.5060   12.508   6.0210   12.009   5.8412 0.4988728 8.388750 
1 1 1    9   21   26 o   9.4314   4.6537  -2.9853   2.4833   2.5809   3.5194  -8.5047   3.5045   14.774   6.7602   9.0785   4.6140 5.695091 8.184711 
1 1 1    9   22    0 o   12.667   8.2480  -0.1832   3.9654  -0.1832   3.9654  -0.1832   3.9654   12.667   8.2480   12.667   8.2480 -0.000000 0.000000 
1 1 1    9   22    1 o   15.344   6.5313   0.1561   2.7567  -0.9744   3.9653   1.2136   3.8350   16.982   7.5197   19.183   7.8996 -2.200655 10.90640 
1 1 1    9   22    2 o   15.932   6.7967   0.1419   2.9971   0.0519   4.2135   0.2340   4.2641   18.577   7.9944   18.877   8.0814 -0.3003712 11.36748 
1 1 1    9   22    3 o   21.990   7.4680   3.7595   3.0759   0.4457   4.3339   7.1228   4.3661   19.232   8.1879   28.947   8.8179 -9.714121 12.03311 
1 1 1    9   22    4 o   21.847   7.4527   3.7038   3.0637   5.6629   4.3349   1.7487   4.3306   26.414   8.8659   20.721   8.4477 5.693729 12.24614 
1 1 1    9   22    5 o   35.828   5.8786   10.652   3.1907   12.687   4.4805   8.5584   4.5449   38.532   7.6794   31.362   8.8507 7.169764 11.71786 
1 1 1    9   22    6 o   13.711   6.1961  -1.3321   2.8438   3.0390   4.1237  -5.2961   3.9269   22.023   8.4713   13.406   6.4365 8.616523 10.63920 
1 1 1    9   22    7 o   22.384   7.1521   4.1218   2.8362   5.3003   4.1048   3.0450   3.9235   25.467   8.6274   21.690   8.2832 3.777712 11.96006 
1 1 1    9   22    8 o   15.023   6.4816  -0.0449   2.7835  -2.3105   4.0052   2.0716   3.8712   15.682   7.1895   20.155   8.0686 -4.472386 10.80702 
1 1 1    9   22    9 o   32.947   5.6630   9.0994   2.8225   5.9343   3.9975   12.246   3.9856   26.304   8.4992   37.799   6.9761 -11.49414 10.99558 
1 1 1    9   22   10 o   16.626   6.7821   1.1288   2.7932   5.2608   4.0204  -2.7268   3.8836   25.034   8.5374   14.954   6.9352 10.07956 10.99926 
1 1 1    9   22   11 o   48.475   3.7626   18.963   2.8398   18.752   4.0210   19.174   4.0113   47.472   5.4990   48.052   5.4136 -0.5790939 7.716615 
1 1 1    9   22   12 o   18.762   6.8373   2.6127   2.6118   2.5924   3.7000   2.6328   3.6873   20.262   7.9591   20.303   7.9543 -0.4111862E-01 11.25243 
1 1 1    9   22   13 o   28.386   6.1644   7.0124   2.6672   9.2133   3.8007   4.8767   3.7440   31.912   7.6821   23.827   8.2348 8.085371 11.26177 
1 1 1    9   22   14 f   27.016   6.3404   6.4353   2.6416   4.6579   3.7493   8.1873   3.7225   23.311   8.2280   29.841   7.8464 -6.530228 11.36954 
1 1 1    9   22   15 o   18.495   6.7957   2.6200   2.5882   1.6514   3.6579   3.5912   3.6626   18.550   7.6843   21.338   8.0366 -2.787773 11.11913 
1 1 1    9   22   16 o   15.730   6.4916   1.0891   2.5972   0.5551   3.5989   1.6695   3.7518   16.971   7.3462   18.562   7.7434 -1.590590 10.67365 
1 1 1    9   22   17 o   15.431   6.3948   1.0635   2.5346   0.7747   3.5406   1.3670   3.6301   16.929   7.3072   17.782   7.5289 -0.8525410 10.49183 
1 1 1    9   22   18 o   18.840   6.9277   3.0346   2.6905  -1.5327   3.8875   7.2335   3.7275   15.071   6.9717   26.717   8.1492 -11.64521 10.72449 
1 1 1    9   22   19 o   20.720   7.0670   4.2026   2.7548   5.9164   3.8667   2.4361   3.9257   23.507   8.3502   18.584   7.8470 4.923252 11.45873 
1 1 1    9   22   20 o   13.734   6.1038   0.2114   2.6368  -2.2542   3.6839   2.8019   3.7760   13.504   6.4140   18.360   7.7210 -4.856320 10.03758 
1 1 1    9   22   21 f   15.319   6.4020   1.6644   2.5713  -1.9690   3.5195   5.8238   3.7657   13.146   6.2512   22.013   8.1775 -8.867170 10.29313 
1 1 1    9   22   22 o   10.967   5.2445  -2.0699   2.5499   3.2741   3.7050  -6.8795   3.5148   18.025   7.6176   10.383   5.1910 7.641348 9.218181 
1 1 1    9   22   23 o   10.167   4.9193  -2.4889   2.4023   0.7810   3.3515  -5.9438   3.4450   14.670   6.6682   10.495   5.2299 4.175299 8.474426 
1 1 1    9   22   24 o   16.203   6.6745   3.0674   2.7388   3.6663   3.8564   2.4579   3.8905   16.841   7.4382   15.701   7.1552 1.139588 10.32104 
1 1 1    9   22   25 o   12.330   5.6687   0.6623   2.5144  -1.9337   3.5215   3.3622   3.5912   11.634   5.7007   15.497   6.9869 -3.863125 9.017466 
1 1 1    9   23    0 o   12.807   8.2580   0.2028   3.8460   0.2028   3.8460   0.2028   3.8460   12.807   8.2580   12.807   8.2580 0.000000 0.000000 
1 1 1    9   23    1 o   21.948   7.0485   3.9455   2.7521   1.4510   3.8410   6.5773   3.9452   19.330   7.9271   27.639   8.3743 -8.308867 11.53116 
1 1 1    9   23    2 o   26.262   6.8482   5.9075   2.8511   7.2146   3.9561   4.4952   4.1124   28.799   8.3004   24.131   8.6073 4.668482 11.95757 
1 1 1    9   23    3 o   42.352   4.7443   14.609   3.0991   13.241   4.4194   15.933   4.3470   39.285   7.4409   43.566   6.5616 -4.281307 9.920753 
1 1 1    9   23    4 o   17.710   7.0431   1.5740   2.9303   1.1320   4.2361   1.9795   4.0577   19.601   8.2061   20.338   8.2191 -0.7366943 11.61437 
1 1 1    9   23    5 o   21.859   7.2344   3.8945   2.8882   3.0217   4.1161   4.7411   4.0537   21.798   8.4425   24.354   8.5589 -2.556236 12.02212 
1 1 1    9   23    6 o   35.307   5.5016   10.394   2.9490   7.2655   4.1928   13.457   4.1486   28.674   8.6212   39.668   6.9155 -10.99407 11.05208 
1 1 1    9   23    7 o   27.163   6.8733   6.4137   2.9317   10.908   4.1728   2.0327   4.1198   35.188   7.7650   20.342   8.2596 14.84592 11.33652 
1 1 1    9   23    8 o   42.690   4.3459   14.860   2.8709   18.764   4.1230   11.184   4.0000   47.449   5.6478   35.724   7.3794 11.72509 9.292651 
1 1 1    9   23    9 o   22.050   6.9462   4.1424   2.6835   1.7286   3.7658   6.6326   3.8250   19.224   7.8623   27.237   8.2444 -8.012793 11.39237 
1 1 1    9   23   10 o   22.002   6.9319   4.1543   2.6724  -0.7745   3.7451   9.2674   3.8145   16.233   7.2406   32.121   7.6727 -15.88856 10.54975 
1 1 1    9   23   11 o   26.952   6.4472   6.3857   2.6902   7.5813   3.8283   5.2192   3.7812   28.763   8.1250   24.424   8.2803 4.339067 11.60081 
1 1 1    9   23   12 o   13.511   6.1142  -1.0825   2.7803   1.3097   4.0084  -3.3006   3.8598   18.839   7.9406   14.226   6.6992 4.613287 10.38906 
1 1 1    9   23   13 o   20.839   7.2112   3.6728   2.8714   5.0625   4.0304   2.2406   4.0917   23.964   8.5239   19.960   8.1831 4.004538 11.81611 
1 1 1    9   23   14 o   16.273   6.7518   1.1186   2.8303   3.5238   4.0426  -1.1935   3.9638   21.463   8.3519   15.966   7.2549 5.497831 11.06289 
1 1 1    9   23   15 o   24.454   7.0154   5.5387   2.8323   7.7166   4.0119   3.3748   3.9989   28.064   8.4322   20.967   8.2627 7.097092 11.80567 
1 1 1    9   23   16 o   17.810   6.7611   2.4500   2.6042  -0.6408   3.6780   5.5574   3.6879   15.592   7.0464   23.958   8.1766 -8.366673 10.79391 
1 1 1    9   23   17 o   20.166   6.8638   3.7967   2.5984   0.6880   3.6402   7.0263   3.7103   16.554   7.2724   26.048   8.1625 -9.493156 10.93222 
1 1 1    9   23   18 o   19.262   6.8066   3.5502   2.5664  -1.9557   3.5529   9.5574   3.7111   13.676   6.4361   30.149   7.7888 -16.47338 10.10390 
1 1 1    9   23   19 o   11.169   5.3170  -2.1297   2.5602  -4.5562   3.5572   0.4782   3.6878   11.788   5.7663   15.634   7.0615 -3.846111 9.116781 
1 1 1    9   23   20 o   10.963   5.2372  -2.1098   2.5289  -2.6966   3.5700  -1.5187   3.5830   12.691   6.1044   13.513   6.3910 -0.8220348 8.837940 
1 1 1    9   23   21 o   11.071   5.2860  -1.9599   2.5696  -0.1749   3.5572  -3.9078   3.7160   14.314   6.6380   12.087   5.9084 2.227712 8.886628 
1 1 1    9   23   22 o   16.617   6.7828   2.8058   2.7959  -0.8610   3.8724   6.7989   4.0410   13.916   6.6001   21.923   8.3979 -8.006870 10.68112 
1 1 1    9   23   23 o   13.925   6.1301   1.4920   2.5988   3.0130   3.6550  -0.0632   3.6958   16.120   7.1741   13.551   6.4329 2.569699 9.635830 
1 1 1    9   23   24 o   12.169   5.7674  -0.0178   2.9464  -2.5002   4.0800   2.6874   4.2593   11.940   5.9050   14.898   7.0224 -2.958079 9.175116 
1 1 1    9   24    0 o   10.235   7.0646  -2.6578   3.8083  -2.6578   3.8083  -2.6578   3.8083   10.235   7.0646   10.235   7.0646 0.000000 0.000000 
1 1 1    9   24    1 o   16.852   6.7413   1.3980   2.7002  -0.4578   3.8143   3.2624   3.8231   16.858   7.4237   21.619   8.1954 -4.760782 11.05784 
1 1 1    9   24    2 o   30.682   5.9766   8.0118   2.7742   7.7456   3.8621   8.2956   3.9874   29.478   8.1001   30.465   8.1721 -0.9872131 11.50632 
1 1 1    9   24    3 o   43.865   4.3195   15.669   2.9350   15.426   4.1621   15.908   4.1393   42.620   6.4221   43.370   6.2630 -0.7497368 8.970394 
1 1 1    9   24    4 o   28.181   6.6080   6.9025   2.8713   11.245   4.0150   2.3564   4.1079   35.792   7.3929   20.649   8.2961 15.14351 11.11222 
1 1 1    9   24    5 o   14.647   6.4077  -0.2611   2.7997  -0.1323   3.8925  -0.3992   4.0297   17.277   7.5570   17.282   7.6196 -0.4604340E-02 10.73152 
1 1 1    9   24    6 f   22.034   7.3744   4.0661   2.9993   1.2942   4.2487   6.8198   4.2347   19.467   8.1884   27.526   8.7329 -8.059076 11.97135 
1 1 1    9   24    7 o   29.402   6.5829   7.5662   2.9616   5.1005   4.1753   10.063   4.2015   24.541   8.6811   33.264   8.1206 -8.722570 11.88718 
1 1 1    9   24    8 o   13.240   6.0850  -1.6905   2.8941  -6.5159   4.0793   3.1995   4.1065   12.815   6.2485   21.535   8.4067 -8.719234 10.47457 
1 1 1    9   24    9 o   29.552   6.6553   7.7246   3.0121   8.5650   4.2909   6.9083   4.2292   30.250   8.6211   27.350   8.7329 2.900295 12.27138 
1 1 1    9   24   10 o   20.182   7.2386   3.2766   2.9127   5.2697   4.0837   1.2129   4.1555   24.444   8.5906   18.921   8.0350 5.523306 11.76262 
1 1 1    9   24   11 o   16.536   6.8329   1.1842   2.8823  -1.8391   3.9844   4.5032   4.1747   15.530   7.1384   23.136   8.6073 -7.606346 11.18223 
1 1 1    9   24   12 o   14.982   6.6279  -0.2821   3.0740  -0.1157   4.2605  -0.4627   4.4396   17.504   7.7703   17.497   7.8383 0.7049561E-02 11.03705 
1 1 1    9   24   13 o   22.316   7.4746   4.5183   3.0813   1.8965   4.2914   7.3086   4.4271   19.482   8.2140   27.203   8.9547 -7.721548 12.15141 
1 1 1    9   24   14 o   25.410   7.3406   6.1411   3.0908   6.0795   4.3561   6.2035   4.3861   24.899   8.8610   25.091   8.8954 -0.1924915 12.55569 
1 1 1    9   24   15 o   20.003   7.3728   3.5407   3.0503   3.0085   4.2668   4.0971   4.3624   20.186   8.3246   21.630   8.5964 -1.443466 11.96649 
1 1 1    9   24   16 o   12.731   5.9195  -1.4564   2.8578   1.4432   4.1276  -4.1261   3.9606   17.770   7.7770   13.149   6.3511 4.621095 10.04077 
1 1 1    9   24   17 o   12.691   5.8783  -1.0965   2.7774  -2.5246   3.9138   0.3521   3.9419   13.803   6.5717   16.076   7.2770 -2.272889 9.805182 
1 1 1    9   24   18 o   10.159   4.9564  -3.5005   2.5785  -8.8115   3.5857   2.1872   3.7106   9.9520   5.0118   17.253   7.4638 -7.301169 8.990364 
1 1 1    9   24   19 o   14.214   6.1503   1.0453   2.5206  -0.5330   3.5867   2.5855   3.5431   14.183   6.6072   17.213   7.3678 -3.029790 9.896387 
1 1 1    9   24   20 f   17.898   7.0981   3.4369   2.9683   10.327   4.4110  -2.2653   4.0129   27.325   8.9353   13.412   6.4567 13.91276 11.02398 
1 1 1    9   24   21 o   13.372   5.9580   0.6990   2.5287   4.1050   3.5200  -2.9332   3.6350   18.344   7.5626   12.202   5.9381 6.141767 9.615257 
1 1 1    9   24   22 o   13.879   6.2366   1.3706   2.8346   1.1589   3.9949   1.5852   4.0227   14.529   6.8338   14.856   6.9457 -0.3267202 9.743854 
1 1 1    9   24   23 o   10.120   4.9167  -1.7540   2.4641  -1.6995   3.4542  -1.8104   3.5162   11.595   5.6740   11.607   5.6892 -0.1191330E-01 8.034971 
1 1 1    9   25    0 o   20.536   11.473   5.3678   5.5239   5.3678   5.5239   5.3678   5.5239   20.536   11.473   20.536   11.473 0.000000 0.000000 
1 1 1    9   25    1 o   21.221   8.1592   3.1834   3.8243   7.5116   5.4960  -0.8791   5.3247   28.613   9.9724   19.090   8.5654 9.523293 13.14592 
1 1 1    9   25    2 o   22.699   8.3656   4.0907   3.9270   6.1940   5.5998   2.0553   5.5086   26.833   9.9714   21.994   9.2914 4.839582 13.62935 
1 1 1    9   25    3 o   17.327   7.0725   1.3922   3.0398   0.6810   4.3359   2.0797   4.2628   18.802   8.1007   20.276   8.3369 -1.473785 11.62438 
1 1 1    9   25    4 f   15.638   6.8385  -0.1093   3.1859   1.2606   4.1898  -1.9874   4.9056   19.159   8.0990   17.406   7.9711 1.752455 11.36361 
1 1 1    9   25    5 o   21.702   7.3972   3.9872   3.0181   1.5447   4.2236   6.5359   4.3144   19.496   8.1802   26.719   8.8418 -7.223036 12.04549 
1 1 1    9   25    6 o   16.048   6.8369   0.5540   3.0255  -0.4402   4.4264   1.4256   4.1447   17.734   7.8935   19.181   8.0790 -1.446337 11.29501 
1 1 1    9   25    7 o   18.526   7.1351   2.3516   2.9279   0.2344   4.1346   4.4813   4.1468   17.812   7.7897   23.211   8.5890 -5.398918 11.59525 
1 1 1    9   25    8 o   11.029   5.3549  -4.4171   2.9102  -3.5412   4.1108  -5.2971   4.1204   14.523   6.8617   13.446   6.4902 1.077055 9.444918 
1 1 1    9   25    9 o   22.547   7.3573   4.5456   2.9914   3.5863   4.2312   5.5041   4.2297   21.769   8.5231   24.602   8.7340 -2.833368 12.20351 
1 1 1    9   25   10 o   11.394   5.4922  -3.8483   2.9259  -6.8278   4.1176  -0.8094   4.1585   12.546   6.1509   16.625   7.5047 -4.078877 9.703342 
1 1 1    9   25   11 o   14.802   6.5138  -0.0596   2.9319  -3.3118   4.0628   3.4744   4.2351   14.377   6.8014   21.300   8.4684 -6.922975 10.86153 
1 1 1    9   25   12 o   16.759   6.9090   1.4936   2.9377  -0.3511   4.0776   3.4846   4.2361   16.629   7.4755   21.091   8.4414 -4.462164 11.27565 
1 1 1    9   25   13 o   16.923   6.9341   1.7192   2.9359  -0.7692   4.0635   4.4367   4.2464   16.041   7.3111   22.064   8.5670 -6.022783 11.26254 
1 1 1    9   25   14 o   22.631   7.3474   5.1041   2.9853   3.4076   4.2508   6.7553   4.1936   20.204   8.3180   24.963   8.7103 -4.759146 12.04405 
1 1 1    9   25   15 o   23.548   7.2645   5.7453   2.9516   2.8340   4.1905   8.6118   4.1581   18.988   8.0663   27.430   8.6473 -8.442371 11.82550 
1 1 1    9   25   16 o   13.469   6.1289  -0.3048   2.8413  -3.6514   3.9977   3.1115   4.0391   13.090   6.3365   18.705   7.9317 -5.615556 10.15197 
1 1 1    9   25   17 o   10.418   5.0993  -3.8131   2.7949  -6.4751   3.9882  -1.2440   3.9180   11.510   5.7177   14.229   6.7155 -2.718874 8.819875 
1 1 1    9   25   18 o   18.302   7.4822   3.6169   3.4087   6.5242   4.8068   0.6760   4.8345   21.553   8.8564   16.306   7.6207 5.247025 11.68381 
1 1 1    9   25   19 o   11.700   5.5670  -1.6518   2.8001  -4.7961   3.8996   1.6948   4.0231   11.821   5.8328   16.179   7.3350 -4.357984 9.371443 
1 1 1    9   25   20 o   14.118   6.3176   1.0814   2.8753   3.8045   3.9298  -2.0558   4.2180   17.651   7.6582   13.344   6.4713 4.306293 10.02626 
1 1 1    9   25   21 o   15.585   6.6415   2.9298   2.8563   4.7969   4.1438   1.2396   3.9425   17.295   7.6710   14.319   6.7517 2.975484 10.21906 
1 1 1    9   25   22 o   16.230   7.2863   4.6252   3.8587   5.1925   5.4072   4.0365   5.5083   15.938   7.6256   15.329   7.4247 0.6087284 10.64311 
1 1 1    9   26    0 o   28.429   9.8270   8.8370   3.9507   8.8370   3.9507   8.8370   3.9507   28.429   9.8270   28.429   9.8270 0.000000 0.000000 
1 1 1    9   26    1 o   39.914   4.8094   13.327   2.9518   15.753   4.3050   11.175   4.0552   42.291   6.7105   34.946   7.6106 7.345078 10.14652 
1 1 1    9   26    2 o   26.137   6.9815   6.1842   2.9178   7.7504   4.0088   4.4197   4.2550   28.645   8.3847   23.100   8.6702 5.545006 12.06135 
1 1 1    9   26    3 o   10.643   5.1814  -4.4301   2.7749  -7.9308   3.9637  -1.0652   3.8861   11.765   5.8190   15.997   7.2348 -4.231148 9.284616 
1 1 1    9   26    4 o   12.720   6.0099  -2.9175   3.1536  -3.0509   4.5723  -2.7965   4.3553   15.764   7.3816   15.517   7.2457 0.2473421 10.34353 
1 1 1    9   26    5 o   18.891   7.0475   2.7308   2.8025   3.0940   3.9751   2.3718   3.9518   20.812   8.2267   19.815   8.0730 0.9974194 11.52613 
1 1 1    9   26    6 o   15.266   6.7579  -0.2636   3.2007   3.0723   4.6567  -3.2508   4.4067   21.451   8.7546   15.232   7.1686 6.218744 11.31507 
1 1 1    9   26    7 o   17.800   7.0954   2.0017   2.9807  -0.3268   4.1066   4.5944   4.3333   16.938   7.5667   23.065   8.7294 -6.127199 11.55241 
1 1 1    9   26    8 o   13.771   6.2965  -1.2648   3.0454  -0.1924   4.3063  -2.3378   4.3075   17.320   7.7422   15.557   7.2448 1.763548 10.60323 
1 1 1    9   26    9 o   16.324   6.8982   1.0405   3.0377   4.6854   4.2117  -2.9113   4.3855   22.786   8.6100   15.196   7.1515 7.589813 11.19270 
1 1 1    9   26   10 o   22.071   7.4527   4.5648   3.0630   1.5233   4.2511   7.8488   4.4172   18.653   8.0285   27.518   8.9377 -8.865276 12.01417 
1 1 1    9   26   11 o   15.722   6.7619   0.8012   3.0110  -4.1490   4.2499   5.7907   4.2667   13.918   6.6857   23.907   8.7350 -9.989482 10.99994 
1 1 1    9   26   12 o   21.966   7.3845   4.8020   3.0073   1.5057   4.1694   8.3763   4.3417   17.939   7.8344   27.442   8.8568 -9.502493 11.82452 
1 1 1    9   26   13 o   26.020   7.0814   6.9147   2.9682   8.7484   4.3071   5.2561   4.0963   27.432   8.8184   22.052   8.4532 5.380215 12.21561 
1 1 1    9   26   14 o   17.407   6.8858   2.6988   2.7868  -1.4714   3.8807   7.1391   4.0044   14.321   6.7356   24.462   8.5130 -10.14098 10.85542 
1 1 1    9   26   15 o   13.030   5.9255  -0.2135   2.6504   3.1213   3.7803  -3.4374   3.7170   18.212   7.6957   12.545   6.0815 5.667263 9.808607 
1 1 1    9   26   16 o   12.382   5.7740  -0.9051   2.7504   1.4805   3.8649  -3.3531   3.9151   16.178   7.2751   12.747   6.1937 3.431769 9.554565 
1 1 1    9   26   17 o   14.763   6.4141   1.3963   2.7644   6.8447   3.9481  -3.8441   3.8720   22.453   8.3670   12.275   6.0071 10.17817 10.30012 
1 1 1    9   26   18 o   24.302   6.9911   6.8620   2.8089   4.9586   3.9870   8.7380   3.9581   19.335   8.0171   24.973   8.4717 -5.638794 11.66376 
1 1 1    9   26   19 o   9.8593   4.8342  -3.0694   2.5450   0.8543   3.6461  -6.7973   3.5540   14.378   6.6857   10.069   5.0598 4.309761 8.384557 
1 1 1    9   26   20 o   13.389   5.9782   1.4854   2.5597   1.0258   3.5864   1.9627   3.6545   13.663   6.4414   14.425   6.7027 -0.7621946 9.296133 
1 1 1    9   26   21 o   11.117   5.2784  -0.3082   2.4905   1.6300   3.5066  -2.2811   3.5378   13.512   6.3701   11.191   5.5281 2.321302 8.434342 
1 1 1    9   27    0 o   12.757   8.3136   0.3129   4.0409   0.3129   4.0409   0.3129   4.0409   12.757   8.3136   12.757   8.3136 0.000000 0.000000 
1 1 1    9   27    1 f   11.565   5.5261  -3.1657   2.8198  -0.8949   3.9959  -5.4184   3.9798   16.156   7.3187   12.926   6.2725 3.229976 9.638801 
1 1 1    9   27    2 o   16.881   6.8400   1.6224   2.8186  -4.4275   3.9744   7.7440   3.9979   13.478   6.4722   28.120   8.4102 -14.64198 10.61227 
1 1 1    9   27    3 o   12.876   5.9602  -1.6780   2.8489   1.0376   4.0035  -4.4637   4.0549   18.032   7.7766   13.607   6.5350 4.424835 10.15787 
1 1 1    9   27    4 o   15.827   6.7461   0.7685   2.9479  -0.2685   4.3147   1.6764   4.0372   17.187   7.7110   18.744   7.9381 -1.557087 11.06676 
1 1 1    9   27    5 o   14.952   6.5059   0.2778   2.8531   0.3905   4.0051   0.1618   4.0654   17.228   7.5960   17.101   7.5908 0.1268387 10.73869 
1 1 1    9   27    6 o   17.832   7.2168   2.0526   3.1334   2.0525   4.1460   2.0527   4.7849   19.156   8.0750   19.907   8.5423 -0.7513714 11.75480 
1 1 1    9   27    7 o   16.620   6.8126   1.5947   2.8353   1.5134   4.0244   1.6749   3.9953   18.268   7.8364   18.411   7.8505 -0.1428051 11.09229 
1 1 1    9   27    8 o   9.5543   4.7537  -6.1645   2.8003  -5.0572   3.9391  -7.2960   3.9818   12.780   6.2105   11.771   5.8238 1.008440 8.513913 
1 1 1    9   27    9 o   11.977   5.6686  -2.3231   2.8285 -11.2276   3.9957   6.6206   4.0045   10.277   5.1895   24.937   8.5202 -14.66084 9.976198 
1 1 1    9   27   10 o   12.840   6.0119  -1.7034   3.0320   0.6992   4.2618  -4.1657   4.3145   17.070   7.6608   13.693   6.6175 3.376865 10.12318 
1 1 1    9   27   11 o   19.121   7.2550   3.5340   2.9976   0.9674   4.2172   6.1550   4.2617   16.973   7.6185   23.108   8.6762 -6.135294 11.54640 
1 1 1    9   27   12 o   14.506   6.4546   0.4829   2.9577  -2.6047   4.1685   3.6130   4.1971   13.963   6.6847   19.309   8.1313 -5.345938 10.52625 
1 1 1    9   27   13 o   12.854   5.9242  -0.5918   2.7698   4.9035   3.9873  -5.7168   3.8506   20.458   8.1892   11.604   5.7386 8.853828 9.999760 
1 1 1    9   27   14 o   17.907   6.9690   3.3618   2.8151   4.8701   3.9607   1.8219   4.0019   19.988   8.1048   16.592   7.4365 3.396524 10.99954 
1 1 1    9   27   15 o   16.954   6.9180   2.8961   2.9073  -1.3135   4.0385   7.4251   4.1889   13.965   6.6565   22.973   8.6068 -9.008265 10.88051 
1 1 1    9   27   16 o   12.033   5.6845  -1.1899   2.8191  -1.5765   3.9604  -0.7929   4.0138   13.537   6.4899   14.107   6.6989 -0.5699053 9.327056 
1 1 1    9   27   17 o   11.744   5.5832  -1.2792   2.8036  -5.0745   3.9454   2.5923   3.9848   11.491   5.7048   16.370   7.3721 -4.879105 9.321562 
1 1 1    9   27   18 o   11.839   5.6445  -0.8457   2.9080  -1.4522   3.9612  -0.1366   4.2827   12.751   6.2038   13.767   6.6380 -1.015285 9.085744 
1 1 1    9   27   19 o   13.733   6.2583   1.8637   2.9761  -3.5519   4.1717   7.4765   4.2470   11.482   5.7273   18.787   8.0546 -7.304988 9.883236 
1 1 1    9   28    0 o   7.8727   5.7281  -8.0092   4.0473  -8.0092   4.0473  -8.0092   4.0473   7.8727   5.7281   7.8727   5.7281 -0.000000 0.000000 
1 1 1    9   28    1 o   12.361   5.8505  -2.5375   3.0124  -2.1922   4.4614  -2.8269   4.0839   15.578   7.2934   14.454   6.8324 1.123189 9.993761 
1 1 1    9   28    2 o   14.188   6.4994  -1.0649   3.2653  -5.2910   4.6815   2.9387   4.5566   14.084   6.8271   20.274   8.5009 -6.189889 10.90296 
1 1 1    9   28    3 o   14.208   6.5040  -0.9998   3.2620   2.9681   4.7193  -4.6298   4.5139   20.366   8.6019   14.095   6.8009 6.271873 10.96556 
1 1 1    9   28    4 f   14.864   6.6993  -0.3460   3.2984  -4.6404   4.6351   4.0594   4.6947   14.248   6.8792   21.456   8.7774 -7.207930 11.15194 
1 1 1    9   28    5 o   15.148   6.7521   0.0997   3.2511  -0.6864   4.5992   0.8848   4.5963   16.622   7.6508   17.914   8.0039 -1.292679 11.07233 
1 1 1    9   28    6 o   15.838   6.8453   1.0154   3.1154   2.8952   4.3634  -0.9393   4.4494   19.456   8.2467   16.042   7.4339 3.413652 11.10274 
1 1 1    9   28    7 f   17.709   7.1637   2.5315   3.0858   6.1729   4.3565  -1.1351   4.3715   23.357   8.7717   15.615   7.2807 7.742314 11.39960 
1 1 1    9   28    8 o   9.7593   4.8642  -6.2712   2.9857 -11.8606   4.2175  -0.6552   4.2274   10.319   5.2248   15.587   7.2312 -5.268579 8.921195 
1 1 1    9   28    9 o   10.261   5.0507  -4.5676   2.8644  -3.3862   4.0619  -5.7362   4.0399   13.344   6.4420   12.099   5.9633 1.245845 8.778341 
1 1 1    9   28   10 f   12.151   5.7294  -1.5744   2.8391  -5.3278   4.0241   2.1454   4.0061   12.133   5.9749   17.331   7.6207 -5.197229 9.683736 
1 1 1    9   28   11 f   9.8843   4.8849  -4.5979   2.7745  -6.5512   3.8897  -2.5746   3.9586   11.244   5.5955   13.329   6.4155 -2.085104 8.512846 
1 1 1    9   28   12 o   10.884   5.2785  -2.9144   2.8086  -7.2081   3.9594   1.4343   3.9846   11.007   5.5037   16.108   7.3014 -5.100689 9.143373 
1 1 1    9   28   13 o   16.351   6.7402   2.5724   2.7955  -0.3353   3.9651   5.4463   3.9420   14.478   6.8091   20.287   8.1351 -5.809037 10.60865 
1 1 1    9   28   14 o   12.663   5.8537  -0.2870   2.7337   0.6660   3.8769  -1.2294   3.8553   14.985   6.9424   13.587   6.4839 1.398151 9.499346 
1 1 1    9   28   15 o   11.493   5.4616  -1.3172   2.6771   0.5712   3.8598  -3.0677   3.7162   14.618   6.8243   12.109   5.9170 2.508887 9.032314 
1 1 1    9   28   16 o   9.1868   4.5740  -4.3828   2.6110  -6.3117   3.6875  -2.4435   3.6975   10.344   5.1922   12.053   5.8922 -1.708333 7.853467 
1 1 1    9   28   17 o   9.9666   4.9140  -2.9098   2.7508   1.6405   4.0362  -6.8563   3.7589   14.154   6.7202   9.9363   5.0196 4.217683 8.387932 
1 1 1    9   28   18 o   12.562   5.8577   1.0393   2.8305   2.2723   3.9660  -0.2407   4.0410   13.946   6.6330   12.532   6.1335 1.414459 9.034170 
1 1 1    9   29    0 o   25.575   10.564   8.7258   4.2060   8.7258   4.2060   8.7258   4.2060   25.575   10.564   25.575   10.564 -0.000000 0.000000 
1 1 1    9   29    1 o   21.563   7.3426   4.8834   2.9737   0.8070   4.1708   9.0980   4.2409   16.722   7.5352   27.785   8.7294 -11.06372 11.53174 
1 1 1    9   29    2 o   12.621   5.8993  -1.4163   2.8987  -3.0597   4.0845   0.2511   4.1143   13.699   6.5739   16.132   7.3540 -2.432399 9.863952 
1 1 1    9   29    3 o   22.867   7.5203   5.6663   3.1227   8.9033   4.4548   2.5394   4.3784   26.905   8.9870   18.462   8.0461 8.443041 12.06254 
1 1 1    9   29    4 o   14.005   6.3770  -0.2287   3.0822   2.8087   4.3265  -3.3589   4.3921   18.576   8.0477   13.915   6.7129 4.660443 10.47992 
1 1 1    9   29    5 o   15.802   6.8067   1.4884   3.0600   0.1251   4.2824   2.9108   4.3741   15.962   7.3601   18.544   8.0624 -2.581772 10.91664 
1 1 1    9   29    6 o   16.427   6.9511   2.0444   3.0913   0.0297   4.3920   4.0223   4.3517   15.867   7.3642   19.511   8.2512 -3.643757 11.05960 
1 1 1    9   29    7 o   12.991   6.0796  -1.0736   3.0938  -2.6037   4.3991   0.4238   4.3520   14.023   6.7533   15.960   7.3804 -1.936280 10.00387 
1 1 1    9   29    8 o   12.574   5.9225  -1.2899   3.0187  -3.9384   4.3323   1.2093   4.2086   13.095   6.3965   16.263   7.4232 -3.168730 9.798933 
1 1 1    9   29    9 o   11.827   5.6365  -1.8178   2.8941   0.2460   4.0639  -3.9415   4.1225   15.169   7.0551   12.663   6.1972 2.506096 9.390422 
1 1 1    9   29   10 o   17.195   6.9228   3.1050   2.8667   1.9522   4.0285   4.2877   4.0804   16.394   7.3950   18.802   7.9723 -2.407427 10.87400 
1 1 1    9   29   11 o   11.613   5.5523  -1.8062   2.8559  -4.3038   4.1611   0.4179   3.9267   12.354   6.0822   14.869   6.9220 -2.514464 9.214508 
1 1 1    9   29   12 o   11.788   5.6413  -1.7288   2.9626 -10.2612   4.1663   6.9977   4.2134   10.161   5.1499   21.580   8.4885 -11.41986 9.928520 
1 1 1    9   29   13 o   13.009   6.0333   0.0037   2.9403  -1.2794   4.1724   1.2694   4.1441   13.608   6.5592   15.261   7.1067 -1.652903 9.670973 
1 1 1    9   29   14 o   12.165   5.7536  -0.5461   2.9045   2.9581   4.0957  -4.0912   4.1195   15.995   7.3092   11.800   5.8529 4.195492 9.363770 
1 1 1    9   29   15 o   11.733   5.5511  -0.2295   2.7075   1.2483   3.7730  -1.7986   3.8877   13.793   6.5337   12.098   5.9408 1.694526 8.830760 
1 1 1    9   29   16 o   12.095   5.6664   0.6168   2.6999  -0.1115   3.8167   1.3463   3.8196   12.472   6.0727   13.331   6.3865 -0.8588896 8.812788 
1 1 1    9   30    0 o   11.791   7.9204   0.2656   4.1455   0.2656   4.1455   0.2656   4.1455   11.791   7.9204   11.791   7.9204 -0.000000 0.000000 
1 1 1    9   30    1 o   17.371   7.0270   3.0124   2.9692   3.2681   4.1871   2.7537   4.2113   18.121   7.8833   17.614   7.7765 0.5075817 11.07344 
1 1 1    9   30    2 o   19.035   7.2003   4.0537   2.9472   6.4399   4.1776   1.6894   4.1585   21.926   8.5018   16.549   7.4844 5.377625 11.32684 
1 1 1    9   30    3 o   15.713   6.7378   1.8934   2.9729   1.9171   4.1938   1.8694   4.2148   16.711   7.5408   16.683   7.5411 0.2749634E-01 10.66451 
1 1 1    9   30    4 o   10.905   5.3269  -3.5077   3.0054  -5.0222   4.3686  -2.1469   4.1410   12.509   6.1723   13.634   6.5622 -1.125000 9.008873 
1 1 1    9   30    5 o   13.411   6.2382  -0.4059   3.1786   0.6490   4.5299  -1.4292   4.4615   15.788   7.3779   14.385   6.8943 1.403038 10.09779 
1 1 1    9   30    6 o   14.232   6.5552   0.2817   3.3838  -1.5129   4.6701   2.2654   4.9098   14.483   6.9704   17.085   7.8787 -2.601637 10.51955 
1 1 1    9   30    7 o   13.922   6.4392   0.1221   3.3151   0.9571   4.6014  -0.7791   4.7801   15.835   7.4117   14.899   7.1397 0.9356108 10.29120 
1 1 1    9   30    8 o   8.6369   4.3796  -8.5931   3.0358  -9.2452   4.2179  -7.8921   4.3730   10.558   5.3316   11.218   5.6341 -0.6603413 7.756849 
1 1 1    9   30    9 o   12.932   6.0366  -0.3636   3.0184  -1.2252   4.1453   0.6089   4.4037   13.786   6.6175   15.206   7.1593 -1.419885 9.749188 
1 1 1    9   30   10 o   17.999   7.1474   4.0238   3.0133   1.5720   4.2333   6.5420   4.2902   15.568   7.2270   20.420   8.3763 -4.851858 11.06307 
1 1 1    9   30   11 o   10.649   5.2207  -3.0935   2.9649  -8.5627   4.1270   2.7398   4.2622   10.359   5.2361   16.133   7.4036 -5.774179 9.068027 
1 1 1    9   30   12 o   10.268   5.0384  -2.7878   2.7813  -3.3457   3.9646  -2.2472   3.9028   11.741   5.8093   12.181   5.9756 -0.4400616 8.334020 
1 1 1    9   30   13 o   14.141   6.2662   2.2709   2.7585   4.0029   3.9177   0.5680   3.8847   15.759   7.1812   13.238   6.3675 2.521759 9.597632 
1 1 1    9   30   14 o   13.285   6.0265   1.8999   2.7211   0.1532   3.8001   3.7379   3.8982   12.514   6.0856   14.906   6.9250 -2.392368 9.218957 
1 1 1    9   31    0 o   10.030   7.0505  -2.2351   4.2935  -2.2351   4.2935  -2.2351   4.2935   10.030   7.0505   10.030   7.0505 -0.000000 0.000000 
1 1 1    9   31    1 o   10.601   5.2375  -4.3549   3.1795  -5.6424   4.4934  -3.0638   4.4997   12.141   6.0377   13.251   6.4829 -1.110051 8.858987 
1 1 1    9   31    2 o   11.583   5.6079  -2.4555   3.1351  -4.4707   4.4194  -0.4137   4.4483   12.503   6.1766   14.606   6.9686 -2.102954 9.311965 
1 1 1    9   31    3 o   13.532   6.2737   0.0810   3.1746  -1.7647   4.4450   2.0026   4.5355   13.802   6.6814   16.268   7.5270 -2.465726 10.06466 
1 1 1    9   31    4 f   11.874   5.7195  -2.0058   3.1597   2.0367   4.5074  -5.9119   4.4307   16.215   7.5029   11.891   5.9266 4.323671 9.561259 
1 1 1    9   31    5 o   12.721   6.0767  -1.2488   3.4040  -4.1144   4.8962   1.4320   4.7357   13.105   6.4788   15.812   7.4383 -2.707796 9.864263 
1 1 1    9   31    6 o   12.951   6.0732  -0.3007   3.1138  -2.1283   4.4862   1.3984   4.3255   13.449   6.5565   15.416   7.2061 -1.967163 9.742427 
1 1 1    9   31    7 o   14.534   6.5918   1.4196   3.2533  -0.5855   4.8913   3.0103   4.3568   14.435   6.9929   16.464   7.5291 -2.028342 10.27563 
1 1 1    9   31    8 o   12.483   5.9081  -0.4697   3.0727   4.7724   4.4738  -5.1505   4.2275   17.589   7.8747   11.542   5.7582 6.047007 9.755349 
1 1 1    9   31    9 o   9.4823   4.7512  -5.2314   3.0221  -7.9702   4.2776  -2.5019   4.2703   10.464   5.2942   12.396   6.1140 -1.931975 8.087626 
1 1 1    9   31   10 f   11.090   5.3968  -1.5763   3.0030  -3.4244   4.2479   0.2699   4.2458   11.657   5.8090   13.323   6.4683 -1.665383 8.693818 
1 1 1    9   31   11 f   12.137   5.8110   0.1568   3.1514   1.0365   4.6703  -0.5785   4.2701   13.477   6.5955   12.543   6.1725 0.9332705 9.033317 
1 1 1    9   31   12 o   10.622   5.2088  -1.5350   2.9572  -7.0837   4.1711   4.0727   4.1932   9.9610   5.0596   14.727   6.9498 -4.766241 8.596447 
1 1 1    9   32    0 o   7.6308   5.5684  -6.6802   3.9962  -6.6802   3.9962  -6.6802   3.9962   7.6308   5.5684   7.6308   5.5684 -0.000000 0.000000 
1 1 1    9   32    1 o   14.007   6.2953   1.4945   2.8895   3.2782   4.0560  -0.3435   4.1174   16.156   7.3405   13.586   6.5403 2.570370 9.831532 
1 1 1    9   32    2 o   13.803   6.2458   1.3500   2.9007  -0.6000   4.1089   3.2874   4.0955   13.368   6.4597   16.073   7.3311 -2.704962 9.771009 
1 1 1    9   32    3 o   12.852   6.0876  -0.0209   3.2745  -1.1686   4.4188   1.3772   4.8769   13.234   6.4637   14.828   7.1332 -1.594253 9.626100 
1 1 1    9   32    4 o   11.645   5.5708  -0.8323   2.8835  -1.5102   4.0658  -0.1463   4.0901   12.600   6.1639   13.349   6.4492 -0.7489386 8.921120 
1 1 1    9   32    5 o   11.087   5.4109  -1.9072   3.0802   0.0726   4.6837  -3.4159   4.0888   13.626   6.6550   11.604   5.7686 2.022126 8.807185 
1 1 1    9   32    6 o   9.9160   4.9182  -3.3298   2.9062  -2.0048   4.1197  -4.6423   4.1002   12.036   5.9491   10.985   5.5084 1.050862 8.107649 
1 1 1    9   32    7 f   11.398   5.4788  -0.5049   2.8642  -4.1951   3.9981   3.3854   4.1051   10.870   5.4492   14.785   6.9457 -3.914736 8.828159 
1 1 1    9   32    8 o   9.2804   4.6399  -3.8705   2.8099  -6.0534   3.9262  -1.5783   4.0232   10.030   5.0744   11.723   5.8097 -1.693069 7.713765 
1 1 1    9   32    9 o   11.101   5.3621  -0.3979   2.8239  -3.1779   3.9684   2.4539   4.0193   10.876   5.4489   13.549   6.5067 -2.672423 8.486959 
1 1 1    9   33    0 o   12.089   8.0353   3.0248   4.0742   3.0248   4.0742   3.0248   4.0742   12.089   8.0353   12.089   8.0353 0.000000 0.000000 
1 1 1    9   33    1 o   10.535   5.1580  -1.4269   2.8645  -5.5251   4.0579   2.6438   4.0442   10.241   5.1783   13.747   6.5820 -3.506129 8.374837 
1 1 1    9   33    2 o   12.248   5.7712   1.0431   2.8721   1.5584   4.0579   0.5258   4.0655   13.062   6.3374   12.528   6.1358 0.5343933 8.821087 
1 1 1    9   33    3 o   12.424   5.9057   1.1682   3.1355   2.8615   4.8052  -0.0875   4.1379   13.710   6.7055   12.204   6.0192 1.505308 9.010815 
1 1 1    9   33    4 o   11.659   5.5970   0.3506   2.9667   0.8255   4.0952  -0.1740   4.3035   12.536   6.1439   12.173   6.0281 0.3638229 8.607293 
1 1 1    9   33    5 o   9.2823   4.7393  -8.6219   4.0470  -2.5031   5.9609 -13.8541   5.5121   12.083   6.1279   9.7367   5.0094 2.345773 7.914849 
1 1 1   10    0    0 o  517.075   4.3325  2098.77   35.150  2098.77   35.150  2098.77   35.150  517.075   4.3325  517.075   4.3325 -0.000000 0.000000 
1 1 1   10    0    1 o  498.862   2.9818  1953.29   23.341  1953.29   23.341  1953.29   23.341  498.862   2.9818  498.862   2.9818 -0.000000 0.000000 
1 1 1   10    0    2 o  237.118   2.0010  441.302   7.4448  441.302   7.4448  441.302   7.4448  237.118   2.0010  237.118   2.0010 0.000000 0.000000 
1 1 1   10    0    3 o  100.411   2.3126   79.245   3.6397   79.245   3.6397   79.245   3.6397  100.411   2.3126  100.411   2.3126 0.000000 0.000000 
1 1 1   10    0    4 o   59.100   2.9777   27.619   2.7456   27.619   2.7456   27.619   2.7456   59.100   2.9777   59.100   2.9777 0.000000 0.000000 
1 1 1   10    0    5 o  123.430   2.2294  119.668   4.3151  119.668   4.3151  119.668   4.3151  123.430   2.2294  123.430   2.2294 0.000000 0.000000 
1 1 1   10    0    6 o  195.313   2.2311  299.463   6.8363  299.463   6.8363  299.463   6.8363  195.313   2.2311  195.313   2.2311 0.000000 0.000000 
1 1 1   10    0    7 o  268.458   2.4271  565.685   10.223  565.685   10.223  565.685   10.223  268.458   2.4271  268.458   2.4271 0.000000 0.000000 
1 1 1   10    0    8 o   59.349   4.3705   28.093   4.0187   28.093   4.0187   28.093   4.0187   59.349   4.3705   59.349   4.3705 -0.000000 0.000000 
1 1 1   10    0    9 o  754.296   4.8159  4466.57   57.001  4466.57   57.001  4466.57   57.001  754.296   4.8159  754.296   4.8159 -0.000000 0.000000 
1 1 1   10    0   10 o  453.212   2.7893  1612.10   19.836  1612.10   19.836  1612.10   19.836  453.212   2.7893  453.212   2.7893 -0.000000 0.000000 
1 1 1   10    0   11 o  423.181   2.6619  1405.56   17.676  1405.56   17.676  1405.56   17.676  423.181   2.6619  423.181   2.6619 -0.000000 0.000000 
1 1 1   10    0   12 o   94.114   2.1888   69.621   3.2288   69.621   3.2288   69.621   3.2288   94.114   2.1888   94.114   2.1888 -0.000000 0.000000 
1 1 1   10    0   13 o  119.331   1.9929  111.842   3.7297  111.842   3.7297  111.842   3.7297  119.331   1.9929  119.331   1.9929 -0.000000 0.000000 
1 1 1   10    0   14 o   36.379   4.1044   10.783   2.2665   10.783   2.2665   10.783   2.2665   36.379   4.1044   36.379   4.1044 -0.000000 0.000000 
1 1 1   10    0   15 o   81.670   2.2542   52.474   2.8840   52.474   2.8840   52.474   2.8840   81.670   2.2542   81.670   2.2542 -0.000000 0.000000 
1 1 1   10    0   16 o  317.683   2.2559  792.429   11.245  792.429   11.245  792.429   11.245  317.683   2.2559  317.683   2.2559 -0.000000 0.000000 
1 1 1   10    0   17 f   74.908   2.3310   44.187   2.7341   44.187   2.7341   44.187   2.7341   74.908   2.3310   74.908   2.3310 -0.000000 0.000000 
1 1 1   10    0   18 o   81.700   2.2341   52.535   2.8596   52.535   2.8596   52.535   2.8596   81.700   2.2341   81.700   2.2341 -0.000000 0.000000 
1 1 1   10    0   19 o   9.8943   6.1881   0.4461   1.9748   0.4461   1.9748   0.4461   1.9748   9.8943   6.1881   9.8943   6.1881 -0.000000 0.000000 
1 1 1   10    0   20 f   62.844   2.7740   31.229   2.7236   31.229   2.7236   31.229   2.7236   62.844   2.7740   62.844   2.7740 -0.000000 0.000000 
1 1 1   10    0   21 o  147.567   1.9677  171.155   4.5550  171.155   4.5550  171.155   4.5550  147.567   1.9677  147.567   1.9677 -0.000000 0.000000 
1 1 1   10    0   22 o   87.084   2.2180   59.731   3.0267   59.731   3.0267   59.731   3.0267   87.084   2.2180   87.084   2.2180 -0.000000 0.000000 
1 1 1   10    0   23 o   33.979   4.4134   9.5861   2.2439   9.5861   2.2439   9.5861   2.2439   33.979   4.4134   33.979   4.4134 -0.000000 0.000000 
1 1 1   10    0   24 o   10.181   6.6262  -0.1148   2.5557  -0.1148   2.5557  -0.1148   2.5557   10.181   6.6262   10.181   6.6262 0.000000 0.000000 
1 1 1   10    0   25 o   17.527   8.3142   3.6986   2.5985   3.6986   2.5985   3.6986   2.5985   17.527   8.3142   17.527   8.3142 -0.000000 0.000000 
1 1 1   10    0   26 o   28.894   5.3905   7.3347   2.1948   7.3347   2.1948   7.3347   2.1948   28.894   5.3905   28.894   5.3905 -0.000000 0.000000 
1 1 1   10    0   27 o   8.7642   5.7881  -0.3289   2.0592  -0.3289   2.0592  -0.3289   2.0592   8.7642   5.7881   8.7642   5.7881 -0.000000 0.000000 
1 1 1   10    0   28 o   33.665   4.2166   9.5106   2.1332   9.5106   2.1332   9.5106   2.1332   33.665   4.2166   33.665   4.2166 0.000000 0.000000 
1 1 1   10    0   29 o   11.122   6.6825   1.2458   2.1011   1.2458   2.1011   1.2458   2.1011   11.122   6.6825   11.122   6.6825 -0.000000 0.000000 
1 1 1   10    0   30 o   16.434   6.9217   3.2602   1.7982   3.2602   1.7982   3.2602   1.7982   16.434   6.9217   16.434   6.9217 -0.000000 0.000000 
1 1 1   10    0   31 o   12.934   6.3935   2.1596   1.5577   2.1596   1.5577   2.1596   1.5577   12.934   6.3935   12.934   6.3935 -0.000000 0.000000 
1 1 1   10    0   32 o   15.173   8.6521   3.5703   3.2266   3.5703   3.2266   3.5703   3.2266   15.173   8.6521   15.173   8.6521 0.000000 0.000000 
1 1 1   10    0   33 o   10.858   7.1918   0.8592   3.2167   0.8592   3.2167   0.8592   3.2167   10.858   7.1918   10.858   7.1918 -0.000000 0.000000 
1 1 1   10    1    0 o  352.402   3.0075  974.838   16.630  974.838   16.630  974.838   16.630  352.402   3.0075  352.402   3.0075 -0.000000 0.000000 
1 1 1   10    1    1 o  193.254   1.4993  293.072   4.5470  292.401   6.1934  293.856   6.6968  193.024   2.0446  193.501   2.2053 -0.4771118 3.007318 
1 1 1   10    1    2 o  547.071   2.2598  2348.85   19.401  2340.62   27.343  2357.20   27.532  546.055   3.1908  547.984   3.2015 -1.929382 4.520042 
1 1 1   10    1    3 o  536.607   2.5684  2259.96   21.629  2247.91   30.438  2272.25   30.740  535.107   3.6246  537.995   3.6410 -2.887756 5.137560 
1 1 1   10    1    4 o  283.553   1.7422  630.947   7.7527  638.486   11.045  623.626   10.884  285.226   2.4677  281.888   2.4604 3.338623 3.484702 
1 1 1   10    1    5 o  356.893   2.0389  999.572   11.419  1013.84   15.626  983.215   16.728  359.411   2.7705  353.932   3.0118 5.479034 4.092252 
1 1 1   10    1    6 o  412.077   2.1333  1332.58   13.795  1349.57   19.712  1316.28   19.314  414.665   3.0292  409.519   3.0053 5.145782 4.267031 
1 1 1   10    1    7 o  226.931   1.7803  404.116   6.3402  399.465   8.1335  411.321   10.122  225.615   2.2972  228.929   2.8174 -3.314835 3.635245 
1 1 1   10    1    8 o  218.575   1.4961  374.891   5.1319  373.114   7.2383  376.687   7.2770  218.049   2.1153  219.090   2.1165 -1.041580 2.992359 
1 1 1   10    1    9 o  486.877   2.7609  1860.46   21.095  1893.80   28.801  1821.89   30.982  491.169   3.7366  481.732   4.0983 9.436829 5.545996 
1 1 1   10    1   10 f  206.674   1.3892  335.182   4.5057  334.125   6.3648  336.243   6.3794  206.340   1.9656  206.993   1.9639 -0.6527863 2.778560 
1 1 1   10    1   11 o  129.462   1.3931  131.523   2.8303  133.166   4.0200  129.908   3.9855  130.263   1.9665  128.659   1.9739 1.603607 2.786332 
1 1 1   10    1   12 o  264.138   1.8791  547.540   7.7893  543.501   10.945  551.687   11.088  263.139   2.6504  265.113   2.6651 -1.973694 3.758655 
1 1 1   10    1   13 o  194.988   1.3738  298.366   4.2037  294.977   5.9106  301.834   5.9798  193.865   1.9428  196.106   1.9431 -2.240341 2.747711 
1 1 1   10    1   14 o  149.468   1.3599  175.327   3.1898  173.848   4.5110  176.807   4.5110  148.822   1.9315  150.083   1.9153 -1.261368 2.720121 
1 1 1   10    1   15 o  279.947   1.5086  615.140   6.6278  612.669   9.3425  617.644   9.4040  279.337   2.1312  280.469   2.1366 -1.131439 3.017793 
1 1 1   10    1   16 o  105.179   1.4507   86.841   2.3944   85.176   3.3745   88.530   3.3981  104.142   2.0648  106.173   2.0395 -2.031235 2.902178 
1 1 1   10    1   17 o  230.096   1.4142  415.644   5.1064  409.509   7.1603  421.994   7.2844  228.332   1.9983  231.785   2.0026 -3.453827 2.829067 
1 1 1   10    1   18 o   98.848   1.4997   76.725   2.3264   78.453   3.2149   74.825   3.3707   99.924   2.0502   97.575   2.2013 2.348030 3.008137 
1 1 1   10    1   19 o   21.204   4.5845   3.6934   1.4810   2.0138   2.0423   5.5561   2.1508   17.080   6.0685   25.979   5.4497 -8.898876 8.156382 
1 1 1   10    1   20 o  101.033   1.4750   80.181   2.3387   78.826   3.2584   81.621   3.3587  100.122   2.0738  101.879   2.1008 -1.756371 2.951921 
1 1 1   10    1   21 o  103.974   1.4838   84.938   2.4210   82.743   3.3824   87.244   3.4669  102.553   2.1017  105.307   2.0978 -2.753426 2.969514 
1 1 1   10    1   22 o   14.229   5.1830   1.3371   1.5006   1.5587   2.1223   1.1157   2.1219   16.153   6.1101   15.275   6.0191 0.8783007 8.576836 
1 1 1   10    1   23 o   32.647   3.4194   8.5484   1.7260   9.6267   2.4540   7.4929   2.4279   34.367   4.6710   30.070   5.3407 4.296936 7.095211 
1 1 1   10    1   24 o   11.136   4.8883  -0.3383   1.6418  -1.1904   2.3122   0.5282   2.3316   12.242   5.5543   14.656   6.1084 -2.413969 8.256126 
1 1 1   10    1   25 o   14.609   5.3735   1.4421   1.6189   1.6205   2.3208   1.2731   2.2594   16.454   6.3484   15.675   6.2004 0.7788553 8.873921 
1 1 1   10    1   26 o   13.963   5.3378   1.1847   1.6304   1.1407   2.3799   1.2236   2.2381   15.616   6.3003   15.447   6.1514 0.1687021 8.805301 
1 1 1   10    1   27 o   20.121   4.7670   3.4617   1.4820   4.8865   2.1298   2.1243   2.0635   23.647   5.7871   16.813   6.0846 6.834108 8.397194 
1 1 1   10    1   28 o   15.761   5.0864   2.0766   1.4320  -0.2875   2.0138   4.4946   2.0366   12.171   5.3753   22.469   5.7520 -10.29813 7.872726 
1 1 1   10    1   29 o   10.673   4.6685  -0.0729   1.4857  -0.3343   2.0758   0.2017   2.1274   12.075   5.3881   12.961   5.6289 -0.8851919 7.792078 
1 1 1   10    1   30 o   26.271   3.5921   5.8577   1.4422   5.5376   2.0768   6.1557   2.0042   24.325   5.5619   26.018   5.0910 -1.693054 7.540124 
1 1 1   10    1   31 o   37.161   2.1856   11.177   1.2690   9.0940   1.9350   12.749   1.6809   32.463   3.8747   39.361   2.7383 -6.898483 4.744617 
1 1 1   10    1   32 o   12.299   4.7110   1.1827   1.2716   0.6776   1.7418   1.7592   1.8607   12.148   5.1819   14.379   5.6455 -2.230569 7.663137 
1 1 1   10    1   33 o   20.364   6.4720   4.9712   2.3250   4.1242   3.3053   5.8008   3.2711   17.551   7.2904   20.109   7.5903 -2.558685 10.52437 
1 1 1   10    2    0 o  171.439   2.3872  230.780   6.4197  230.780   6.4197  230.780   6.4197  171.439   2.3872  171.439   2.3872 0.000000 0.000000 
1 1 1   10    2    1 o  346.301   1.6663  941.094   9.0554  941.240   12.810  940.948   12.802  346.308   2.3571  346.254   2.3561 0.5358887E-01 3.332743 
1 1 1   10    2    2 o  167.522   1.5415  220.223   4.0525  228.257   5.8004  212.561   5.6642  170.543   2.1673  164.574   2.1931 5.968262 3.083356 
1 1 1   10    2    3 o  146.785   1.6877  169.077   3.8876  172.077   6.1664  167.098   5.0083  148.069   2.6538  145.918   2.1871 2.151596 3.438890 
1 1 1   10    2    4 o  368.551   1.9900  1065.94   11.509  1077.41   16.412  1054.84   16.145  370.502   2.8227  366.602   2.8064 3.899658 3.980330 
1 1 1   10    2    5 o  323.255   1.8522  820.002   9.3960  820.768   13.292  819.236   13.284  323.388   2.6191  323.086   2.6201 0.3020630 3.704628 
1 1 1   10    2    6 o  117.003   1.6126  107.424   2.9609  107.814   4.1859  107.034   4.1890  117.210   2.2757  116.785   2.2857 0.4246140 3.225372 
1 1 1   10    2    7 o  323.538   1.8677  821.434   9.4829  841.577   12.670  795.777   14.299  327.469   2.4655  318.424   2.8615 9.045258 3.777137 
1 1 1   10    2    8 o  414.616   1.9912  1349.03   12.956  1352.21   18.338  1345.85   18.306  415.081   2.8152  414.103   2.8170 0.9781189 3.982564 
1 1 1   10    2    9 o  203.616   1.4813  325.335   4.7333  333.435   6.3568  315.256   7.0908  206.129   1.9651  200.427   2.2544 5.702072 2.990676 
1 1 1   10    2   10 o  293.198   1.5447  674.590   7.1073  666.000   9.9653  683.484   10.139  291.312   2.1798  295.111   2.1894 -3.798706 3.089497 
1 1 1   10    2   11 o  170.176   1.4108  227.255   3.7678  231.222   5.5550  223.876   5.1275  171.646   2.0622  168.900   1.9345 2.746445 2.827574 
1 1 1   10    2   12 o  210.100   1.3971  346.398   4.6063  347.245   6.5266  345.558   6.5020  210.346   1.9772  209.835   1.9745 0.5115662 2.794266 
1 1 1   10    2   13 o  177.266   1.3596  246.596   3.7823  248.390   5.3698  244.829   5.3283  177.898   1.9235  176.618   1.9224 1.279831 2.719432 
1 1 1   10    2   14 o  161.950   1.3635  205.835   3.4654  202.284   4.8667  209.487   4.9358  160.531   1.9318  163.365   1.9253 -2.833160 2.727362 
1 1 1   10    2   15 o   71.908   1.7285   40.591   1.9505   39.751   2.7496   41.442   2.7673   71.101   2.4680   72.601   2.4323 -1.500313 3.465140 
1 1 1   10    2   16 o  257.692   1.4715  521.294   5.9506  514.875   8.3267  527.994   8.5070  256.042   2.0723  259.281   2.0907 -3.239380 2.943745 
1 1 1   10    2   17 o  162.079   1.3569  206.228   3.4513  204.381   4.8338  208.149   4.9294  161.313   1.9095  162.792   1.9296 -1.478546 2.714630 
1 1 1   10    2   18 o   41.485   2.5041   13.581   1.6227   11.771   2.2591   15.511   2.3323   38.455   3.7927   44.249   3.3844 -5.793381 5.083182 
1 1 1   10    2   19 o  102.521   1.5318   82.552   2.4645   77.464   3.5409   87.333   3.4323   99.253   2.2733  105.405   2.0750 -6.152000 3.077897 
1 1 1   10    2   20 o  113.317   1.4411  100.862   2.5628   96.743   3.5757  105.211   3.6749  110.919   2.0542  115.676   2.0244 -4.756104 2.884105 
1 1 1   10    2   21 o   38.796   2.7247   11.921   1.6483   13.792   2.3301   10.047   2.3320   41.608   3.6041   35.335   4.2935 6.273212 5.605650 
1 1 1   10    2   22 o  104.962   1.4877   86.595   2.4504   90.196   3.4875   83.083   3.4437  107.036   2.0763  102.718   2.1364 4.317261 2.979092 
1 1 1   10    2   23 o   12.345   5.1475   0.3045   1.6567  -2.4728   2.3115   3.2380   2.3756   10.952   5.1656   20.131   6.5556 -9.179777 8.346217 
1 1 1   10    2   24 o   34.869   3.2875   9.7526   1.7777   10.429   2.5499   9.1128   2.4796   35.693   4.6638   33.256   4.8977 2.437103 6.763068 
1 1 1   10    2   25 o   20.514   4.9450   3.5573   1.5731   2.5085   2.3187   4.4518   2.1414   18.239   6.4675   22.787   5.9314 -4.548599 8.775576 
1 1 1   10    2   26 o   36.103   2.9439   10.457   1.6534   10.984   2.4524   10.017   2.2388   36.545   4.3623   34.951   4.1636 1.594307 6.030324 
1 1 1   10    2   27 o   13.450   5.4047   0.8545   1.7438  -0.1255   2.5850   1.6728   2.3623   14.092   6.1612   16.388   6.3823 -2.295987 8.870975 
1 1 1   10    2   28 o   15.816   5.2098   2.0793   1.4985   3.7125   2.1751   0.6040   2.0673   20.397   6.2258   13.676   5.7297 6.720927 8.461040 
1 1 1   10    2   29 o   12.930   4.9484   1.1346   1.4021   0.3387   2.0274   1.8644   1.9413   12.902   5.5488   15.549   5.8521 -2.647223 8.064446 
1 1 1   10    2   30 o   11.411   4.6318   0.6719   1.2951  -0.2881   1.8653   1.5653   1.7995   11.352   5.0835   14.434   5.5844 -3.081758 7.551705 
1 1 1   10    2   31 f   11.794   5.1813   0.1354   1.8479   4.3009   2.7071  -3.4988   2.5286   20.282   7.0027   10.065   4.9100 10.21700 8.552526 
1 1 1   10    2   32 o   18.589   4.9903   3.3502   1.4862   2.2871   2.0586   4.5073   2.1478   15.565   5.9859   20.614   6.1640 -5.049330 8.592219 
1 1 1   10    2   33 o   10.665   4.8353  -0.0291   1.7487  -1.1509   3.2335   0.4347   2.0790   12.266   5.8762   11.932   5.3532 0.3332853 7.949023 
1 1 1   10    3    0 o  102.101   4.0933   82.217   6.5346   82.217   6.5346   82.217   6.5346  102.101   4.0933  102.101   4.0933 -0.000000 0.000000 
1 1 1   10    3    1 o  338.319   2.0778  898.260   11.031  893.649   15.532  902.953   15.671  337.421   2.9332  339.173   2.9441 -1.751495 4.155927 
1 1 1   10    3    2 o  228.457   1.6266  409.571   5.8315  405.315   8.1729  413.986   8.3231  227.256   2.2917  229.673   2.3092 -2.417480 3.253380 
1 1 1   10    3    3 o  350.691   1.9381  965.127   10.666  980.934   15.257  950.015   14.917  353.527   2.7501  347.911   2.7322 5.615540 3.876580 
1 1 1   10    3    4 o  722.597   3.2795  4098.52   37.189  4092.34   52.503  4104.74   52.683  721.922   4.6343  723.014   4.6432 -1.091736 6.560196 
1 1 1   10    3    5 o  190.283   1.4603  284.121   4.3606  285.747   6.1802  282.509   6.1536  190.820   2.0638  189.736   2.0667 1.084290 2.920699 
1 1 1   10    3    6 o  430.305   1.9107  1453.04   12.902  1419.04   17.859  1490.15   18.661  425.220   2.6763  435.741   2.7290 -10.52155 3.822298 
1 1 1   10    3    7 f  333.263   1.8952  871.558   9.9117  851.711   13.786  892.795   14.261  329.429   2.6667  337.281   2.6943 -7.851166 3.790790 
1 1 1   10    3    8 o  514.681   2.1629  2078.81   17.470  2082.92   24.746  2074.73   24.666  515.153   3.0610  514.138   3.0571 1.014648 4.326157 
1 1 1   10    3    9 o  181.230   1.5819  257.736   4.4991  258.922   6.3784  256.561   6.3471  181.639   2.2377  180.809   2.2369 0.8298340 3.164010 
1 1 1   10    3   10 f  455.949   1.9836  1631.47   14.193  1619.82   19.941  1643.44   20.205  454.282   2.7972  457.580   2.8137 -3.298279 3.967499 
1 1 1   10    3   11 o  385.589   1.7808  1166.78   10.776  1166.46   15.228  1167.09   15.250  385.509   2.5171  385.612   2.5201 -0.1029053 3.561849 
1 1 1   10    3   12 o   75.676   1.7254   44.943   2.0490   44.819   2.9101   45.065   2.8856   75.525   2.4586   75.733   2.4311 -0.2082520 3.457561 
1 1 1   10    3   13 o  159.484   1.3690  199.605   3.4264  201.732   4.8409  197.470   4.8504  160.320   1.9241  158.617   1.9486 1.703354 2.738464 
1 1 1   10    3   14 o  100.705   1.5064   79.595   2.3806   82.966   3.3579   76.189   3.3757  102.803   2.0814   98.513   2.1835 4.290215 3.016615 
1 1 1   10    3   15 o   64.833   1.8434   33.027   1.8736   36.182   2.6625   29.932   2.6370   67.825   2.5058   61.665   2.7318 6.159958 3.706979 
1 1 1   10    3   16 o  154.562   1.4256  187.534   3.4578  186.467   5.0340  188.487   4.7578  154.082   2.0819  154.923   1.9570 -0.8411102 2.857260 
1 1 1   10    3   17 o   57.225   2.0055   25.755   1.7983   29.074   2.5764   22.602   2.5112   60.750   2.7092   53.520   3.0019 7.229527 4.043685 
1 1 1   10    3   18 o   33.715   3.0500   9.0199   1.5963   9.4393   2.2386   8.5861   2.2768   34.321   4.2468   32.653   4.5681 1.668190 6.237212 
1 1 1   10    3   19 o   24.107   4.2690   4.7298   1.5560   4.7669   2.1834   4.6914   2.2180   24.001   5.8506   23.811   5.9523 0.1905823 8.346239 
1 1 1   10    3   20 o   25.803   4.0676   5.3939   1.5926   6.3601   2.2512   4.4258   2.2534   27.813   5.3520   23.115   6.1176 4.698305 8.128316 
1 1 1   10    3   21 o   43.363   2.6212   14.871   1.7754   14.599   2.6130   15.104   2.4197   42.752   3.9390   43.558   3.5712 -0.8060799 5.316878 
1 1 1   10    3   22 o   20.202   5.1943   3.3941   1.6559   2.5010   2.4284   4.1702   2.2637   18.668   6.6189   22.369   6.2226 -3.701918 9.084618 
1 1 1   10    3   23 o  103.285   1.8030   83.987   2.9224   79.388   4.0076   89.211   4.2708  100.217   2.5503  106.268   2.5610 -6.050301 3.614210 
1 1 1   10    3   24 o   49.522   2.6479   19.472   2.0503   13.435   2.9263   25.294   2.8736   40.559   4.6835   56.297   3.2666 -15.73716 5.710156 
1 1 1   10    3   25 o   40.961   2.8024   13.388   1.7906   9.8911   2.5557   16.760   2.5094   34.573   4.8431   45.641   3.5310 -11.06790 5.993607 
1 1 1   10    3   26 o   25.909   4.2708   5.5759   1.6760   1.7193   2.4046   9.2198   2.3373   16.681   6.4549   33.348   4.5877 -16.66757 7.919162 
1 1 1   10    3   27 o   17.061   5.3505   2.4440   1.5939   1.1172   2.2982   3.6738   2.2126   15.245   6.1767   20.536   6.2813 -5.290773 8.809443 
1 1 1   10    3   28 o   14.791   5.5757   1.5367   1.7638   0.0074   2.4273   3.2476   2.5674   13.663   5.9719   19.440   6.8131 -5.777690 9.059937 
1 1 1   10    3   29 o   31.662   3.3515   8.3150   1.6400   9.0172   2.3527   7.6513   2.2873   32.118   4.8161   29.329   5.1579 2.789251 7.056791 
1 1 1   10    3   30 f   20.588   4.3767   3.7702   1.3705   2.5581   2.0019   4.8395   1.8802   16.821   6.0047   22.797   5.3483 -5.976236 8.041199 
1 1 1   10    3   31 o   10.300   4.7283  -0.7177   1.7404  -2.5323   2.4376   1.1692   2.4858   10.503   5.0501   14.597   6.2073 -4.094157 8.002188 
1 1 1   10    3   32 o   11.938   5.2810   0.3030   1.9513  -1.9536   2.7523   2.5835   2.7668   11.358   5.4359   16.350   6.7189 -4.992321 8.642517 
1 1 1   10    3   33 o   8.5866   4.0752  -1.1132   1.4812   0.0645   2.0452  -2.4124   2.1481   11.384   5.1877   9.3030   4.5356 2.080566 6.890861 
1 1 1   10    4    0 o  237.871   4.0489  444.497   15.105  444.497   15.105  444.497   15.105  237.871   4.0489  237.871   4.0489 0.000000 0.000000 
1 1 1   10    4    1 o  294.288   2.1788  679.668   10.062  687.539   14.334  672.022   14.128  295.961   3.0862  292.603   3.0768 3.358368 4.357927 
1 1 1   10    4    2 o  315.029   2.4095  778.875   11.912  773.736   18.111  782.794   15.814  313.945   3.6759  315.796   3.1910 -1.850861 4.867726 
1 1 1   10    4    3 o  429.154   2.0376  1445.32   13.722  1448.12   19.451  1442.55   19.362  429.540   2.8856  428.712   2.8779 0.8275452 4.075424 
1 1 1   10    4    4 o  197.669   1.5375  306.610   4.7693  308.384   7.0535  305.115   6.4734  198.231   2.2674  197.180   2.0920 1.050934 3.085041 
1 1 1   10    4    5 o  491.297   2.2338  1894.22   17.222  1892.46   24.340  1895.99   24.372  491.031   3.1587  491.488   3.1598 -0.4571228 4.467848 
1 1 1   10    4    6 o  287.298   1.6439  647.705   7.4116  649.317   10.509  646.110   10.454  287.644   2.3281  286.933   2.3217 0.7111511 3.287935 
1 1 1   10    4    7 o  291.094   1.7160  664.940   7.8389  666.520   11.573  663.600   10.656  291.425   2.5305  290.790   2.3350 0.6347656 3.443228 
1 1 1   10    4    8 o  361.329   1.7193  1024.53   9.7488  1035.70   13.889  1013.68   13.687  363.276   2.4362  359.395   2.4268 3.880951 3.438711 
1 1 1   10    4    9 o  524.693   2.1957  2160.54   18.080  2153.64   25.490  2167.54   25.648  523.808   3.1009  525.494   3.1101 -1.686584 4.391851 
1 1 1   10    4   10 f  154.901   1.3913  188.288   3.3821  194.923   4.8306  181.909   4.7367  157.600   1.9532  152.247   1.9825 5.352402 2.783037 
1 1 1   10    4   11 o  254.875   1.4806  509.771   5.9222  501.914   8.2790  518.004   8.4751  252.890   2.0861  256.912   2.1021 -4.021317 2.961535 
1 1 1   10    4   12 o  202.213   1.4429  320.887   4.5787  319.302   6.2750  322.691   6.6961  201.702   1.9824  202.766   2.1044 -1.064392 2.891084 
1 1 1   10    4   13 o  126.802   1.4191  126.184   2.8238  125.141   3.9509  127.272   4.0374  126.267   1.9939  127.337   2.0204 -1.069778 2.838595 
1 1 1   10    4   14 o  205.878   1.4041  332.660   4.5365  326.039   6.3355  339.626   6.4988  203.794   1.9810  207.997   1.9910 -4.202652 2.808622 
1 1 1   10    4   15 o   80.914   1.6612   51.398   2.1094   50.861   2.9475   51.962   3.0201   80.437   2.3375   81.302   2.3696 -0.8648453 3.328497 
1 1 1   10    4   16 o  248.145   1.4644  483.401   5.7027  473.608   7.9463  493.802   8.1890  245.558   2.0621  250.736   2.0812 -5.178070 2.929739 
1 1 1   10    4   17 o  101.379   1.5081   80.698   2.3993   80.188   3.3954   81.207   3.3908  101.024   2.1417  101.666   2.1253 -0.6413422 3.017258 
1 1 1   10    4   18 o   87.348   1.6473   59.925   2.2580   54.211   3.2277   65.402   3.1600   82.990   2.4811   91.217   2.2076 -8.226410 3.321030 
1 1 1   10    4   19 o   96.575   1.6433   73.270   2.4905   70.570   3.5128   75.999   3.5315   94.717   2.3633   98.301   2.2893 -3.583755 3.290241 
1 1 1   10    4   20 o  162.792   1.4855  208.189   3.7949  209.621   5.3774  206.769   5.3562  163.255   2.0989  162.139   2.1051 1.115555 2.972675 
1 1 1   10    4   21 o  122.846   1.7848  118.657   3.4408  116.735   4.6239  121.042   5.1506  121.742   2.4203  123.921   2.6486 -2.178795 3.587832 
1 1 1   10    4   22 o  119.466   1.5492  112.212   2.9045  111.892   4.1787  112.510   4.0399  119.166   2.2345  119.513   2.1540 -0.3466492 3.103680 
1 1 1   10    4   23 f   13.180   5.1894   0.8403   1.5761  -0.8501   2.2560   2.4518   2.2027   12.512   5.5976   18.117   6.3133 -5.605414 8.437470 
1 1 1   10    4   24 o   68.589   2.0427   37.153   2.1963   36.970   3.1729   37.321   3.0432   68.176   2.9728   68.541   2.8353 -0.3652496 4.108142 
1 1 1   10    4   25 o   21.021   4.9248   3.7396   1.5960   3.0749   2.2830   4.3750   2.2320   19.426   6.4320   22.546   6.1427 -3.120176 8.894007 
1 1 1   10    4   26 o   36.404   2.9377   10.637   1.6640   10.140   2.4030   11.096   2.3065   35.026   4.4737   36.820   4.0590 -1.794395 6.040700 
1 1 1   10    4   27 o   25.810   3.9697   5.5345   1.5564   3.3444   2.2023   7.7201   2.2000   19.712   6.3027   30.233   4.7970 -10.52158 7.920495 
1 1 1   10    4   28 o   13.577   5.0872   1.2853   1.4635  -0.7265   2.1083   3.1563   2.0332   11.809   5.3359   18.907   6.0571 -7.098455 8.072178 
1 1 1   10    4   29 o   39.522   2.4986   12.636   1.5417   9.4451   2.2119   15.651   2.1501   33.137   4.3591   43.620   3.1625 -10.48260 5.385406 
1 1 1   10    4   30 o   22.948   4.1120   4.6087   1.4264   5.9511   2.0599   3.3722   1.9771   25.314   5.3530   18.751   5.9691 6.563084 8.017818 
1 1 1   10    4   31 o   10.427   4.7298  -0.4592   1.6758  -1.9915   2.3793   1.0494   2.3609   10.770   5.1265   14.185   6.0412 -3.415133 7.923190 
1 1 1   10    4   32 o   10.531   4.7478  -0.1515   1.6579  -0.4045   2.3181   0.1135   2.3722   11.769   5.4223   12.452   5.6400 -0.6831284 7.823765 
1 1 1   10    5    0 o  357.196   2.5798  1001.40   14.459  1001.40   14.459  1001.40   14.459  357.196   2.5798  357.196   2.5798 0.000000 0.000000 
1 1 1   10    5    1 o  571.507   2.5064  2563.37   22.479  2562.17   31.785  2564.57   31.795  571.313   3.5452  571.581   3.5446 -0.2683716 5.013238 
1 1 1   10    5    2 o  420.188   2.0108  1385.55   13.259  1381.18   18.713  1389.95   18.791  419.497   2.8425  420.827   2.8453 -1.329224 4.021910 
1 1 1   10    5    3 o  644.304   2.7631  3258.09   27.938  3251.46   39.447  3264.76   39.572  643.570   3.9058  644.885   3.9102 -1.314270 5.526806 
1 1 1   10    5    4 o  525.361   2.5411  2166.10   20.950  2159.66   29.565  2172.59   29.690  524.529   3.5918  526.096   3.5962 -1.567261 5.082649 
1 1 1   10    5    5 o  190.370   1.6876  284.388   5.0417  287.367   7.5350  281.974   6.7840  191.355   2.5092  189.554   2.2806 1.801178 3.390758 
1 1 1   10    5    6 o  333.151   1.7689  870.960   9.2479  891.573   13.323  851.796   12.847  337.054   2.5189  329.450   2.4848 7.603729 3.538219 
1 1 1   10    5    7 o  589.605   2.6718  2728.32   24.721  2724.92   36.369  2731.25   33.704  589.162   3.9336  589.865   3.6410 -0.7034912 5.360081 
1 1 1   10    5    8 o  438.012   2.0708  1505.61   14.234  1501.84   20.104  1509.40   20.157  437.431   2.9286  438.531   2.9290 -1.099335 4.141923 
1 1 1   10    5    9 o  219.386   1.5268  377.690   5.2565  381.334   7.4860  374.146   7.3828  220.431   2.1641  218.344   2.1546 2.087326 3.053777 
1 1 1   10    5   10 o  221.693   1.5893  385.681   5.5293  384.216   7.5488  387.378   8.1219  221.260   2.1741  222.165   2.3296 -0.9051971 3.186445 
1 1 1   10    5   11 o  329.306   1.7555  851.028   9.0719  848.274   12.823  853.788   12.836  328.746   2.4856  329.813   2.4800 -1.067047 3.511209 
1 1 1   10    5   12 o  114.332   1.5694  102.585   2.8159  103.691   4.0155  101.514   3.9499  114.937   2.2263  113.724   2.2132 1.212883 3.139204 
1 1 1   10    5   13 o  152.236   1.4830  181.888   3.5431  180.708   5.0184  183.061   5.0030  151.725   2.1077  152.711   2.0876 -0.9855499 2.966536 
1 1 1   10    5   14 o  102.917   1.6886   83.143   2.7273   83.215   4.0321   83.082   3.7029  102.938   2.4960  102.863   2.2939 0.7494354E-01 3.390006 
1 1 1   10    5   15 o  125.273   1.6402  123.203   3.2246  123.684   4.6359  122.753   4.4881  125.481   2.3543  125.012   2.2877 0.4690628 3.282728 
1 1 1   10    5   16 o  115.507   1.6562  104.759   3.0022  104.286   4.3163  105.203   4.1785  115.203   2.3875  115.714   2.3010 -0.5115356 3.315862 
1 1 1   10    5   17 o  115.398   1.5660  104.569   2.8360  101.410   3.9911  107.792   4.0305  113.597   2.2388  117.121   2.1929 -3.523842 3.133877 
1 1 1   10    5   18 o   96.145   1.6564   72.608   2.4991   70.228   3.5273   75.007   3.5413   94.474   2.3811   97.672   2.3104 -3.198441 3.317768 
1 1 1   10    5   19 o   32.900   3.3279   8.6230   1.6946   8.2130   2.3691   9.0525   2.4249   31.817   4.9021   33.467   4.7503 -1.650236 6.826185 
1 1 1   10    5   20 o  125.075   1.4590  122.895   2.8637  119.096   4.0235  126.795   4.0766  123.050   2.0836  126.970   2.0459 -3.920433 2.920158 
1 1 1   10    5   21 o   18.937   5.9591   2.8580   1.9755   2.5571   2.7733   3.1680   2.8148   19.379   7.0480   20.628   7.1397 -1.249952 10.03244 
1 1 1   10    5   22 o   74.291   1.7889   43.429   2.0856   44.011   3.0133   42.893   2.8896   74.630   2.5767   73.689   2.5024 0.9409256 3.591865 
1 1 1   10    5   23 o   56.226   2.3295   25.000   2.0510   22.991   3.0392   26.680   2.7794   53.613   3.6337   57.925   3.0685 -4.311089 4.756020 
1 1 1   10    5   24 o   54.353   2.6447   23.461   2.2491   24.048   3.7066   23.120   2.8295   54.474   4.3726   53.754   3.3712 0.7193222 5.521276 
1 1 1   10    5   25 o   15.441   5.6296   1.6740   1.7708   4.5779   2.5612  -0.9858   2.4512   23.001   6.6933   12.813   5.7749 10.18834 8.840215 
1 1 1   10    5   26 o   21.256   4.9348   3.8551   1.6144   3.4875   2.3204   4.2000   2.2476   20.259   6.4686   21.959   6.2333 -1.700390 8.983166 
1 1 1   10    5   27 o   9.0879   4.2516  -1.3482   1.5113   0.4013   2.1771  -2.9751   2.0995   13.732   5.8231   9.6199   4.6409 4.112425 7.446216 
1 1 1   10    5   28 o   29.085   3.5693   7.0166   1.5950   6.8071   2.3199   7.2044   2.1965   27.656   5.5387   28.745   5.0537 -1.088663 7.497785 
1 1 1   10    5   29 o   14.334   5.3170   1.5991   1.5909   2.4562   2.2635   0.7625   2.2364   17.015   6.3364   13.935   5.9051 3.079955 8.661408 
1 1 1   10    5   30 o   15.960   4.9527   2.3171   1.3696   3.4105   1.9902   1.3336   1.8876   18.795   5.9896   14.024   5.6274 4.770713 8.218440 
1 1 1   10    5   31 o   8.1661   3.8439  -1.0791   1.2682  -1.5924   1.8855  -0.6550   1.7138   9.7293   4.6117   10.258   4.7027 -0.5286093 6.586602 
1 1 1   10    5   32 o   8.2597   4.0769  -3.2281   1.9111  -5.0899   2.7348  -1.4512   2.6717   9.3175   4.6458   11.426   5.4372 -2.108800 7.151693 
1 1 1   10    6    0 o  159.298   3.2880  199.400   8.2117  199.400   8.2117  199.400   8.2117  159.298   3.2880  159.298   3.2880 0.000000 0.000000 
1 1 1   10    6    1 o  469.234   2.0305  1727.87   14.952  1709.41   20.941  1747.08   21.356  466.690   2.8593  471.803   2.8843 -5.113098 4.061377 
1 1 1   10    6    2 o  278.511   1.6413  608.691   7.1734  615.452   10.215  602.113   10.076  280.042   2.3244  276.990   2.3180 3.051239 3.282677 
1 1 1   10    6    3 o  122.362   1.5686  117.490   3.0120  117.660   4.0204  117.272   4.5474  122.447   2.0923  122.243   2.3705 0.2041779 3.161752 
1 1 1   10    6    4 o  188.570   1.8814  279.040   5.5675  281.479   7.5090  276.064   8.2972  189.384   2.5266  187.549   2.8191 1.834869 3.785630 
1 1 1   10    6    5 o  422.586   2.0324  1401.40   13.478  1393.19   18.960  1409.79   19.163  421.321   2.8675  423.823   2.8812 -2.502319 4.064998 
1 1 1   10    6    6 o  431.274   2.2282  1459.66   15.080  1462.88   19.773  1455.18   23.317  431.726   2.9184  430.566   3.4508 1.160767 4.519462 
1 1 1   10    6    7 o  180.378   1.5341  255.316   4.3425  259.186   6.1807  251.544   6.1024  181.733   2.1672  179.034   2.1720 2.699173 3.068269 
1 1 1   10    6    8 o  371.204   1.8833  1081.34   10.971  1086.89   15.564  1075.85   15.467  372.131   2.6651  370.236   2.6621 1.895508 3.766883 
1 1 1   10    6    9 o  311.599   1.7257  761.953   8.4384  772.324   12.036  751.927   11.834  313.692   2.4450  309.522   2.4363 4.169647 3.451579 
1 1 1   10    6   10 o  240.834   1.4764  455.152   5.5798  468.090   7.9999  442.895   7.7864  244.221   2.0874  237.557   2.0886 6.663528 2.952869 
1 1 1   10    6   11 o  183.744   1.4649  264.948   4.2241  256.642   6.0805  272.695   5.8725  180.829   2.1427  186.401   2.0076 -5.572479 2.936242 
1 1 1   10    6   12 o  147.843   1.5273  171.537   3.5434  172.063   5.0163  171.012   5.0059  148.056   2.1590  147.603   2.1611 0.4530640 3.054801 
1 1 1   10    6   13 o  139.418   1.5302  152.555   3.3480  150.658   4.7210  154.475   4.7488  138.530   2.1716  140.274   2.1572 -1.744324 3.060963 
1 1 1   10    6   14 o  193.697   1.5109  294.498   4.5926  293.322   6.4881  295.679   6.5016  193.273   2.1391  194.049   2.1350 -0.7754517 3.022295 
1 1 1   10    6   15 o  139.686   1.5267  153.180   3.3466  155.017   4.7416  151.357   4.7242  140.485   2.1507  138.815   2.1686 1.669662 3.054265 
1 1 1   10    6   16 o   27.215   3.9709   5.9577   1.6460   4.5149   2.3309   7.3927   2.3246   23.453   6.2288   30.185   5.0882 -6.731855 8.042827 
1 1 1   10    6   17 o   76.653   1.8261   46.154   2.1966   45.397   3.1738   46.851   3.0433   75.926   2.6678   77.150   2.5170 -1.223282 3.667778 
1 1 1   10    6   18 o   70.919   1.9203   39.552   2.1352   36.856   3.0508   42.141   2.9893   68.362   2.8500   73.137   2.6087 -4.774368 3.863626 
1 1 1   10    6   19 o   7.8753   3.8637  -3.2756   1.6333  -1.9628   2.3592  -4.4839   2.2635   11.691   5.4161   9.2921   4.5567 2.399025 7.077993 
1 1 1   10    6   20 o  166.889   1.5676  218.859   4.1056  213.989   6.0392  223.044   5.5983  164.875   2.3341  168.375   2.1187 -3.500031 3.152296 
1 1 1   10    6   21 o   89.446   1.9204   62.947   2.6955   63.288   4.4077   62.743   3.4069   89.430   3.1456   89.194   2.4363 0.2355957 3.978683 
1 1 1   10    6   22 o   37.110   3.2955   11.000   1.8993   10.416   2.7313   11.547   2.6429   35.691   5.0145   37.736   4.5549 -2.045383 6.774455 
1 1 1   10    6   23 o   29.129   4.6916   6.9916   2.0718   9.1494   3.0521   5.1479   2.8213   32.944   6.1291   24.548   6.9888 8.395733 9.295670 
1 1 1   10    6   24 o   43.374   2.9440   15.016   1.9920   14.709   2.9685   15.268   2.6868   42.443   4.5266   43.437   3.9860 -0.9933624 6.031462 
1 1 1   10    6   25 o   23.977   5.0708   4.8740   1.8483   6.0246   2.7021   3.8622   2.5338   26.242   6.5755   21.327   6.7537 4.914536 9.425974 
1 1 1   10    6   26 o   24.207   5.0131   4.9960   1.8416   4.1456   2.6497   5.7908   2.5615   21.838   6.9053   25.616   6.3928 -3.777735 9.410174 
1 1 1   10    6   27 o   31.282   3.4014   7.9966   1.6429   7.1270   2.3841   8.7830   2.2671   28.624   5.5073   32.296   4.6035 -3.671618 7.177902 
1 1 1   10    6   28 o   11.976   4.9754   0.5175   1.5397   4.6573   2.2587  -3.0761   2.1044   22.415   6.2083   9.4262   4.5711 12.98886 7.709593 
1 1 1   10    6   29 o   11.877   4.9857   0.5088   1.5701   0.0194   2.3466   0.9055   2.1128   13.069   5.7858   13.852   5.7971 -0.7833357 8.190376 
1 1 1   10    6   30 o   25.450   3.7734   5.5831   1.4615   5.0580   2.1062   6.0708   2.0296   22.834   5.8515   25.568   5.2347 -2.733660 7.851276 
1 1 1   10    6   31 o   12.201   4.6253   1.1346   1.2177   1.6084   1.7782   0.7162   1.6711   14.175   5.5325   12.218   5.1371 1.957349 7.549743 
1 1 1   10    6   32 o   12.757   5.3228   1.1659   1.7733   0.9987   2.5219   1.3294   2.4940   13.519   5.9910   13.912   6.0678 -0.3929577 8.527040 
1 1 1   10    7    0 o  297.928   2.8424  696.741   13.287  696.741   13.287  696.741   13.287  297.928   2.8424  297.928   2.8424 -0.000000 0.000000 
1 1 1   10    7    1 o  289.138   1.5716  656.024   7.1312  656.261   10.088  655.786   10.082  289.180   2.2230  289.075   2.2224 0.1046143 3.143393 
1 1 1   10    7    2 o  348.280   1.8909  951.879   10.335  946.812   14.029  957.890   15.282  347.337   2.5738  349.357   2.7874 -2.020142 3.793995 
1 1 1   10    7    3 f  248.245   1.5007  483.577   5.8464  483.085   8.2678  484.069   8.2683  248.110   2.1234  248.363   2.1214 -0.2524872 3.001550 
1 1 1   10    7    4 o  360.644   2.0954  1020.68   11.859  1023.77   16.095  1017.01   17.540  361.169   2.8397  359.966   3.1050 1.202820 4.207749 
1 1 1   10    7    5 o  475.352   2.1316  1773.25   15.901  1772.68   23.259  1773.74   21.789  475.238   3.1186  475.388   2.9207 -0.1502991 4.272766 
1 1 1   10    7    6 o  406.640   2.0739  1297.66   13.234  1303.22   18.069  1291.21   19.439  407.485   2.8256  405.595   3.0541 1.890381 4.160668 
1 1 1   10    7    7 o   50.280   2.5286   19.892   1.9888   18.727   2.8106   21.060   2.8144   48.700   3.7054   51.678   3.4909 -2.977760 5.090842 
1 1 1   10    7    8 o   64.662   2.2448   32.855   2.2744   32.644   3.2286   33.063   3.2046   64.406   3.2044   64.822   3.1597 -0.4156876 4.500265 
1 1 1   10    7    9 o  276.922   1.7980  601.806   7.8135  606.098   11.113  597.610   10.988  277.887   2.5484  275.934   2.5375 1.952423 3.596230 
1 1 1   10    7   10 o  208.734   1.6798  341.923   5.5024  336.673   7.7455  347.273   7.8182  207.109   2.3831  210.344   2.3685 -3.235229 3.359885 
1 1 1   10    7   11 o  332.692   2.0141  868.730   10.516  852.644   15.403  882.772   14.391  329.542   2.9785  335.330   2.7347 -5.787842 4.043498 
1 1 1   10    7   12 o  233.236   1.6421  426.952   6.0105  433.992   8.8899  421.023   8.1576  235.116   2.4094  231.585   2.2446 3.531219 3.292957 
1 1 1   10    7   13 o   96.749   1.6280   73.472   2.4717   75.423   3.5159   71.565   3.4755   98.008   2.2860   95.467   2.3198 2.540314 3.256889 
1 1 1   10    7   14 o  210.718   1.4434  348.543   4.7729  348.639   6.7636  348.448   6.7364  210.704   2.0455  210.647   2.0378 0.5729675E-01 2.887335 
1 1 1   10    7   15 o   78.938   1.8237   48.933   2.2591   54.420   3.3457   44.334   3.0628   83.174   2.5663   75.061   2.6041 8.112953 3.656131 
1 1 1   10    7   16 o   55.602   2.2268   24.333   1.9391   23.844   2.7624   24.808   2.7226   54.948   3.2177   56.064   3.1066 -1.116085 4.472653 
1 1 1   10    7   17 o   53.742   2.3468   22.751   1.9745   20.763   2.7213   24.961   2.8693   51.221   3.4048   56.199   3.2675 -4.978386 4.719038 
1 1 1   10    7   18 o   92.935   1.7605   67.863   2.5675   64.296   3.6127   71.504   3.6496   90.355   2.5504   95.304   2.4422 -4.948158 3.531151 
1 1 1   10    7   19 o  107.129   1.6883   90.188   2.8384   86.922   4.0021   93.492   4.0262  105.086   2.4268  108.995   2.3538 -3.909111 3.380804 
1 1 1   10    7   20 o  105.206   1.7221   87.011   2.8432   86.973   4.0547   87.048   3.9878  105.081   2.4588  105.133   2.4170 -0.5223083E-01 3.447899 
1 1 1   10    7   21 o   59.550   2.3257   27.988   2.1692   29.203   3.1377   26.876   3.0023   60.652   3.3091   58.179   3.3019 2.472900 4.674669 
1 1 1   10    7   22 o   13.209   5.5287   0.3210   1.9222  -1.3342   2.6900   2.0480   2.7478   13.272   6.0092   18.245   6.9405 -4.973259 9.180528 
1 1 1   10    7   23 o   87.487   1.9013   60.336   2.6103   59.659   3.6579   61.038   3.7262   86.754   2.6900   87.745   2.7093 -0.9913330 3.817920 
1 1 1   10    7   24 o   27.307   5.1924   6.2748   2.1438   6.3980   3.1458   6.1679   2.9295   26.986   7.2672   26.568   6.9485 0.4179974 10.05454 
1 1 1   10    7   25 o   9.5988   4.5604  -2.1635   1.8645  -0.9411   2.7342  -3.2260   2.5492   13.614   6.1209   10.924   5.2290 2.690697 8.050344 
1 1 1   10    7   26 o   46.608   3.3047   17.541   2.4014   18.288   3.4827   16.865   3.3157   46.878   4.8020   45.020   4.7654 1.858082 6.765203 
1 1 1   10    7   27 o   19.951   6.1462   3.5179   2.1136   6.0258   3.1048   1.3519   2.8855   25.382   7.3648   16.612   6.8477 8.769852 10.05639 
1 1 1   10    7   28 o   18.500   5.5654   3.0887   1.7469   2.7673   2.4900   3.4002   2.4513   18.050   6.6599   19.328   6.6641 -1.278702 9.421429 
1 1 1   10    7   29 o   13.827   5.2438   1.4461   1.5656  -0.7375   2.1882   3.7359   2.2408   11.693   5.3431   19.645   6.3647 -7.951707 8.310114 
1 1 1   10    7   30 o   7.4360   3.6752  -3.1154   1.5714  -1.4126   2.2781  -4.6610   2.1703   11.076   5.1942   8.3936   4.1776 2.682886 6.665739 
1 1 1   10    7   31 f   8.7397   4.0472  -0.7434   1.3153  -1.3610   1.9463  -0.2242   1.7845   10.054   4.7415   10.938   4.9289 -0.8841124 6.839352 
1 1 1   10    7   32 o   11.111   4.9895   0.1512   1.8110   3.3529   2.6027  -2.8539   2.5216   16.846   6.6575   9.9361   4.8593 6.910096 8.242282 
1 1 1   10    8    0 o  147.544   2.2802  170.949   5.2769  170.949   5.2769  170.949   5.2769  147.544   2.2802  147.544   2.2802 -0.000000 0.000000 
1 1 1   10    8    1 o  329.462   1.6818  851.777   8.6951  852.262   12.299  851.292   12.294  329.542   2.3783  329.354   2.3787 0.1875000 3.363661 
1 1 1   10    8    2 o  399.330   2.1343  1251.42   13.375  1243.80   17.433  1262.31   20.853  398.093   2.7905  401.026   3.3136 -2.932800 4.332046 
1 1 1   10    8    3 o  241.228   1.7491  456.639   6.6215  454.335   9.3640  458.943   9.3644  240.607   2.4800  241.824   2.4676 -1.217377 3.498472 
1 1 1   10    8    4 o  377.962   2.1643  1121.09   12.837  1129.48   17.453  1111.19   18.949  379.350   2.9318  376.255   3.2091 3.095154 4.346709 
1 1 1   10    8    5 o  324.503   1.7839  826.346   9.0845  820.332   12.804  832.442   12.891  323.302   2.5236  325.680   2.5224 -2.377563 3.568056 
1 1 1   10    8    6 o  414.086   2.4047  1345.72   15.627  1346.78   22.119  1344.67   22.080  414.202   3.4029  413.877   3.3995 0.3251343 4.809987 
1 1 1   10    8    7 o   72.003   2.2442   40.728   2.5327   37.548   3.6953   43.546   3.4782   69.073   3.4197   74.422   2.9842 -5.349281 4.538699 
1 1 1   10    8    8 o   48.770   3.0900   18.746   2.3527   17.862   3.2349   19.738   3.4280   47.489   4.3904   49.938   4.4198 -2.448978 6.229833 
1 1 1   10    8    9 o  379.614   1.8588  1130.94   11.073  1126.97   15.158  1135.48   16.215  378.917   2.5492  380.337   2.7168 -1.419800 3.725484 
1 1 1   10    8   10 o  288.418   1.6931  652.838   7.6633  647.658   10.816  658.059   10.860  287.245   2.3993  289.543   2.3900 -2.297668 3.386556 
1 1 1   10    8   11 o  192.217   1.5563  289.970   4.6946  289.733   6.6816  290.201   6.5975  192.118   2.2162  192.274   2.1865 -0.1562042 3.113239 
1 1 1   10    8   12 o  166.744   1.5569  218.225   4.0739  222.059   5.8099  214.517   5.7141  168.178   2.2014  165.298   2.2028 2.880676 3.114225 
1 1 1   10    8   13 o  132.475   1.7470  137.775   3.6318  138.771   5.1682  136.804   5.1047  132.919   2.4777  131.974   2.4648 0.9446716 3.494850 
1 1 1   10    8   14 o  100.011   1.9172   78.547   3.0090   78.330   4.2962   78.757   4.2156   99.792   2.7459  100.070   2.6869 -0.2774658 3.841802 
1 1 1   10    8   15 o  102.535   1.8819   82.573   3.0281   83.915   4.3656   81.328   4.2038  103.279   2.6959  101.679   2.6368 1.599609 3.770979 
1 1 1   10    8   16 o   96.585   1.8562   73.281   2.8135   72.045   4.2001   74.286   3.7893   95.659   2.8009   97.171   2.4870 -1.512230 3.745665 
1 1 1   10    8   17 o   60.131   2.3074   28.473   2.1733   29.715   3.1031   27.276   3.0448   61.327   3.2358   58.738   3.3166 2.588638 4.633646 
1 1 1   10    8   18 o   80.707   1.9617   51.204   2.4846   50.021   3.5291   52.367   3.4987   79.640   2.8282   81.501   2.7394 -1.860970 3.937388 
1 1 1   10    8   19 o  101.112   1.7629   80.363   2.7973   80.949   3.9976   79.800   3.9158  101.387   2.5125  100.670   2.4786 0.7176056 3.529337 
1 1 1   10    8   20 o  100.816   1.7083   79.913   2.7028   77.682   3.9721   81.837   3.6882   99.243   2.5525  101.938   2.3055 -2.694504 3.439614 
1 1 1   10    8   21 o   59.188   2.2852   27.656   2.1186   25.300   3.1428   29.617   2.8682   56.357   3.5719   61.122   2.9994 -4.765438 4.664216 
1 1 1   10    8   22 o   43.573   3.1762   15.142   2.1569   15.762   3.2173   14.637   2.9069   44.037   4.7295   42.513   4.4217 1.524036 6.474526 
1 1 1   10    8   23 o   26.832   4.5866   5.9610   1.8620   8.3805   2.8421   4.1417   2.4645   31.461   5.9750   22.111   6.6009 9.349897 8.903548 
1 1 1   10    8   24 o   30.933   4.4460   7.8942   2.0963   3.9665   3.2164   10.795   2.7641   22.049   7.6320   36.044   5.0228 -13.99560 9.136527 
1 1 1   10    8   25 o   22.962   5.0956   4.5012   1.7882   1.6230   2.6921   6.7739   2.3922   17.024   6.7572   28.096   5.6219 -11.07190 8.790061 
1 1 1   10    8   26 o   16.378   5.6351   2.1403   1.7525   0.8796   2.6273   3.1508   2.3522   15.555   6.4837   19.350   6.5310 -3.795056 9.202809 
1 1 1   10    8   27 o   18.401   5.7058   2.9712   1.8181   3.1492   2.6383   2.8102   2.5091   19.252   6.8911   18.467   6.7058 0.7845516 9.615305 
1 1 1   10    8   28 o   20.983   5.8420   4.0965   1.9943   4.4355   2.9469   3.8100   2.7089   21.332   7.3085   20.088   7.0012 1.244017 10.12079 
1 1 1   10    8   29 o   17.039   5.5770   2.6864   1.7182   3.3174   2.5285   2.1450   2.3420   18.594   6.7345   16.222   6.3441 2.372534 9.252061 
1 1 1   10    8   30 o   16.798   5.5262   2.6655   1.6862   2.1493   2.4906   3.1023   2.2911   16.127   6.4665   17.832   6.4170 -1.704676 9.110089 
1 1 1   10    8   31 o   19.334   5.7904   3.8587   1.8941   2.3476   2.7904   5.1500   2.5795   16.066   6.6881   21.332   6.8211 -5.266224 9.552961 
1 1 1   10    8   32 o   10.158   4.4097   0.3476   1.3044   1.1751   1.8798  -0.4209   1.8115   12.692   5.3976   10.297   4.7617 2.395372 7.197768 
1 1 1   10    9    0 o  333.289   3.4071  872.045   17.816  872.045   17.816  872.045   17.816  333.289   3.4071  333.289   3.4071 0.000000 0.000000 
1 1 1   10    9    1 o  365.643   2.2506  1049.22   12.914  1037.76   18.158  1060.94   18.370  363.611   3.1822  367.649   3.1840 -4.037506 4.501602 
1 1 1   10    9    2 o  144.145   1.9198  163.053   4.3426  159.284   6.1025  166.920   6.1811  142.460   2.7297  145.835   2.7008 -3.375137 3.839983 
1 1 1   10    9    3 o  122.835   2.2340  118.412   4.3064  114.686   5.5181  124.215   6.8872  120.879   2.9089  125.744   3.4936 -4.864922 4.546087 
1 1 1   10    9    4 o  129.418   1.8830  131.439   3.8243  126.526   5.1475  137.493   5.7135  126.969   2.5834  132.355   2.7508 -5.385948 3.773706 
1 1 1   10    9    5 o  908.731   4.0382  6483.97   57.587  6484.98   81.440  6482.96   81.440  908.494   5.7123  908.353   5.7132 0.1409912 8.079037 
1 1 1   10    9    6 o  239.639   1.9260  450.677   7.2430  446.917   11.393  453.227   9.3831  238.607   3.0427  240.302   2.4882 -1.695282 3.930550 
1 1 1   10    9    7 o  470.265   2.3785  1735.71   17.553  1715.75   24.590  1756.45   25.064  467.492   3.3518  473.002   3.3767 -5.509613 4.757776 
1 1 1   10    9    8 o   48.952   3.2505   18.896   2.4829   17.116   3.6647   20.406   3.3758   46.393   5.1186   50.793   4.2748 -4.399605 6.668873 
1 1 1   10    9    9 o  204.803   1.7090  329.179   5.4928  327.712   7.7686  330.646   7.7673  204.327   2.4228  205.239   2.4116 -0.9126892 3.418412 
1 1 1   10    9   10 o   66.359   2.5607   34.622   2.6616   33.577   4.4454   35.206   3.3232   65.219   4.3686   66.881   3.1753 -1.662140 5.400620 
1 1 1   10    9   11 o  153.701   1.5829  185.418   3.8181  182.526   5.3974  188.314   5.4018  152.476   2.2557  154.876   2.2225 -2.399918 3.166633 
1 1 1   10    9   12 o  147.733   1.5958  171.317   3.6997  169.230   5.2146  173.433   5.2498  146.801   2.2635  148.614   2.2510 -1.812531 3.192263 
1 1 1   10    9   13 o  152.056   1.5845  181.513   3.7810  179.899   5.3407  183.136   5.3536  151.339   2.2487  152.695   2.2342 -1.356567 3.169896 
1 1 1   10    9   14 o  124.605   1.6317  121.910   3.1907  121.738   4.5156  122.082   4.5092  124.475   2.3116  124.651   2.3052 -0.1758881 3.264575 
1 1 1   10    9   15 o  121.905   1.6392  116.700   3.1359  118.858   4.4446  114.561   4.4252  122.978   2.3030  120.732   2.3356 2.246361 3.280108 
1 1 1   10    9   16 o   68.994   2.2383   37.459   2.4203   39.083   3.3406   35.665   3.5114   70.392   3.0312   67.199   3.3402 3.192596 4.510567 
1 1 1   10    9   17 o   26.902   5.1317   5.9311   2.0874   5.2072   3.0346   6.5813   2.8759   25.180   7.2735   28.138   6.6236 -2.958397 9.837487 
1 1 1   10    9   18 o   10.183   4.8064  -2.2517   2.0076  -1.8099   2.8590  -2.6816   2.8198   13.394   6.1153   12.449   5.8186 0.9454002 8.441164 
1 1 1   10    9   19 o   95.571   1.9543   71.840   2.9310   72.277   4.0953   71.381   4.1967   95.715   2.7292   95.103   2.8151 0.6120071 3.920877 
1 1 1   10    9   20 o  110.165   1.6731   95.434   2.8926   97.216   4.0303   93.540   4.1540  111.080   2.3120  108.936   2.4299 2.143814 3.354062 
1 1 1   10    9   21 o   89.116   1.7599   62.503   2.4613   65.627   3.5504   59.612   3.4151   91.146   2.4845   86.860   2.5080 4.286377 3.530284 
1 1 1   10    9   22 o   44.498   3.1170   15.796   2.1629   16.562   3.0669   15.039   3.0506   45.217   4.3768   42.999   4.5919 2.217396 6.343642 
1 1 1   10    9   23 o   41.461   3.0048   13.738   1.9418   12.264   2.7588   15.186   2.7336   38.669   4.6387   43.284   4.0723 -4.615017 6.172620 
1 1 1   10    9   24 o   16.691   6.0790   2.0049   2.0642   2.7658   3.0393   1.3535   2.8123   19.625   7.3356   16.899   6.8378 2.725946 10.02824 
1 1 1   10    9   25 o   29.091   4.1052   6.9942   1.8221   7.9083   2.6260   6.1453   2.5304   30.309   5.7308   26.462   6.2021 3.846365 8.444463 
1 1 1   10    9   26 o   16.345   5.6616   2.1379   1.7701   3.1090   2.5791   1.2730   2.4339   19.361   6.8251   15.713   6.3599 3.648019 9.329001 
1 1 1   10    9   27 o   33.022   3.5503   9.0276   1.8110   10.957   2.6107   7.2378   2.5143   35.709   4.7786   28.305   5.8538 7.403891 7.556555 
1 1 1   10    9   28 f   11.849   5.0665   0.3283   1.6724  -2.6401   2.4245   3.0225   2.3098   10.589   5.0772   18.191   6.4546 -7.602026 8.212165 
1 1 1   10    9   29 o   19.717   5.9096   3.7785   1.9724   3.2563   2.8927   4.2323   2.6963   18.461   7.0968   20.297   6.9895 -1.835474 9.960765 
1 1 1   10    9   30 o   13.203   5.2688   1.2225   1.6454   0.1183   2.4259   2.1632   2.2392   12.984   5.8070   15.818   6.1982 -2.833792 8.493476 
1 1 1   10    9   31 o   11.319   4.8829   0.5043   1.5794   2.9582   2.4245  -1.3045   2.0816   16.623   6.4680   10.262   4.8588 6.361197 8.089682 
1 1 1   10   10    0 o   76.597   2.8877   46.240   3.4599   46.240   3.4599   46.240   3.4599   76.597   2.8877   76.597   2.8877 -0.000000 0.000000 
1 1 1   10   10    1 f  354.379   1.7550  985.521   9.7600  984.750   13.815  986.290   13.791  354.218   2.4853  354.495   2.4789 -0.2771606 3.510211 
1 1 1   10   10    2 o  136.647   1.8379  146.534   3.9413  148.995   5.5484  144.027   5.5996  137.781   2.5661  135.464   2.6341 2.317108 3.677380 
1 1 1   10   10    3 f  166.495   1.6689  217.538   4.3606  211.799   5.8959  224.467   6.4789  164.276   2.2870  169.115   2.4413 -4.838699 3.345155 
1 1 1   10   10    4 f  549.288   2.5568  2368.15   22.040  2355.73   32.227  2379.06   30.209  547.751   3.7491  550.480   3.4970 -2.729309 5.126829 
1 1 1   10   10    5 o  308.192   1.7740  745.390   8.5801  749.774   12.187  741.082   12.082  309.074   2.5126  307.277   2.5055 1.796417 3.548346 
1 1 1   10   10    6 o  285.827   1.6675  641.122   7.4797  649.279   11.073  634.275   10.144  287.617   2.4532  284.280   2.2738 3.336945 3.344905 
1 1 1   10   10    7 o  351.595   1.7555  970.144   9.6860  968.468   13.735  971.803   13.662  351.260   2.4916  351.865   2.4741 -0.6051941 3.511347 
1 1 1   10   10    8 o  121.411   1.7444  115.687   3.3236  109.224   5.0203  120.730   4.4344  117.954   2.7122  124.020   2.2784 -6.066559 3.542189 
1 1 1   10   10    9 o  120.125   1.6353  113.250   3.0827  114.102   4.4082  112.435   4.3126  120.561   2.3300  119.679   2.2962 0.8827820 3.271311 
1 1 1   10   10   10 o   61.903   2.5391   30.139   2.4613   30.076   3.7934   30.185   3.2347   61.735   3.9361   61.897   3.3425 -0.1617966 5.163813 
1 1 1   10   10   11 o  208.029   1.5023  339.677   4.9046  338.710   6.9573  340.632   6.9150  207.698   2.1345  208.287   2.1156 -0.5895844 3.005297 
1 1 1   10   10   12 o  224.721   1.5141  396.423   5.3396  392.752   7.5610  400.075   7.5417  223.626   2.1545  225.703   2.1292 -2.077530 3.029117 
1 1 1   10   10   13 o  159.037   1.5386  198.572   3.8400  199.249   5.6188  197.980   5.2601  159.256   2.2482  158.759   2.1113 0.4966736 3.084175 
1 1 1   10   10   14 o  107.570   1.6516   90.866   2.7881   91.903   3.9521   89.839   3.9338  108.141   2.3288  106.918   2.3445 1.222496 3.304548 
1 1 1   10   10   15 o   74.252   1.9774   43.350   2.3021   44.890   3.2829   41.860   3.2290   75.487   2.7760   72.885   2.8284 2.601547 3.963084 
1 1 1   10   10   16 o   64.826   2.1437   33.073   2.1778   31.577   3.1128   34.508   3.0481   63.231   3.1469   66.133   2.9444 -2.901802 4.309570 
1 1 1   10   10   17 o   42.566   2.9692   14.347   1.9709   12.864   2.8085   15.787   2.7666   40.035   4.5509   44.503   4.0042 -4.467236 6.061731 
1 1 1   10   10   18 o   99.428   1.7335   77.706   2.7049   80.542   3.8989   75.074   3.7557  101.138   2.4565   97.614   2.4536 3.524033 3.472033 
1 1 1   10   10   19 o   86.995   1.8399   59.523   2.5118   58.983   3.6003   60.035   3.5060   86.449   2.6570   87.235   2.5638 -0.7855606 3.692259 
1 1 1   10   10   20 o   45.158   3.1624   16.218   2.2269   12.430   3.2354   19.628   3.0698   38.955   5.4407   49.519   3.9840 -10.56433 6.743399 
1 1 1   10   10   21 o   30.706   4.5007   7.7112   2.1044   13.057   3.0945   3.1123   2.8702   39.947   5.0489   20.381   7.1986 19.56556 8.792688 
1 1 1   10   10   22 o   36.444   3.9420   10.756   2.2186   8.8632   3.2105   12.485   3.0695   32.170   6.5815   38.896   5.1554 -6.726551 8.360332 
1 1 1   10   10   23 o   21.382   5.8568   3.9113   2.0228   1.1908   2.9704   6.2640   2.7623   17.030   6.9761   26.820   6.6069 -9.789810 9.608147 
1 1 1   10   10   24 o   27.774   5.1663   6.5359   2.1689   10.750   3.0834   2.4088   3.0513   35.552   5.7207   18.956   7.2883 16.59582 9.265311 
1 1 1   10   10   25 o   33.117   4.2378   9.0846   2.1520   9.0824   3.0332   9.0869   3.0538   32.193   6.2291   32.178   6.2730 0.1453018E-01 8.840360 
1 1 1   10   10   26 o   15.229   5.9321   1.4770   2.0411   1.4837   2.9190   1.4706   2.8552   16.850   6.9103   16.719   6.8430 0.1307240 9.725194 
1 1 1   10   10   27 o   15.567   5.8402   1.8650   1.9302   0.8416   2.6821   2.9644   2.7799   15.103   6.4360   18.644   7.0058 -3.540537 9.513322 
1 1 1   10   10   28 o   15.336   5.7298   1.9306   1.8539   3.9117   2.6730   0.0945   2.5734   19.921   6.9538   13.593   6.0361 6.328160 9.208148 
1 1 1   10   10   29 o   23.415   5.0412   5.0821   1.7975   5.3465   2.5499   4.8209   2.5343   22.726   6.6967   21.548   6.7450 1.177485 9.504840 
1 1 1   10   10   30 o   17.803   5.6970   3.1426   1.7990   2.5203   2.6216   3.6964   2.4733   16.557   6.6360   18.723   6.6754 -2.165937 9.412639 
1 1 1   10   10   31 f   8.8544   4.1855  -1.0805   1.5329   0.8443   2.2786  -2.6720   2.0719   12.920   5.7114   9.0108   4.4063 3.908780 7.213583 
1 1 1   10   11    0 o  252.077   2.5265  498.813   9.9923  498.813   9.9923  498.813   9.9923  252.077   2.5265  252.077   2.5265 -0.000000 0.000000 
1 1 1   10   11    1 o  189.476   1.5945  281.733   4.7411  289.169   7.0285  275.524   6.4224  191.947   2.3333  187.367   2.1842 4.580490 3.196129 
1 1 1   10   11    2 o  194.479   1.5720  296.805   4.7977  296.686   6.6237  296.937   6.9585  194.429   2.1709  194.509   2.2797 -0.7984924E-01 3.147928 
1 1 1   10   11    3 o   70.009   2.2798   38.508   2.5014   41.572   3.5691   35.550   3.5068   72.704   3.1356   67.210   3.3352 5.494041 4.577745 
1 1 1   10   11    4 o  375.045   1.8187  1103.86   10.704  1093.57   15.056  1114.38   15.221  373.263   2.5704  376.796   2.5740 -3.533630 3.637677 
1 1 1   10   11    5 o  235.031   1.5645  433.495   5.7706  431.239   8.1660  435.745   8.1556  234.403   2.2199  235.624   2.2056 -1.221741 3.129357 
1 1 1   10   11    6 o  322.098   1.8171  814.220   9.1850  828.702   12.359  796.350   13.728  324.923   2.4237  318.501   2.7466 6.422028 3.663092 
1 1 1   10   11    7 o  124.657   1.8051  121.958   3.5313  123.179   5.0016  120.744   4.9864  125.265   2.5443  124.020   2.5620 1.244804 3.610776 
1 1 1   10   11    8 o  115.161   2.1598  104.104   3.9033  103.071   5.4167  105.220   5.6297  114.526   3.0165  115.709   3.1031 -1.183197 4.327680 
1 1 1   10   11    9 o  193.664   1.6289  294.377   4.9504  288.208   6.9252  300.822   7.0791  191.595   2.3033  195.743   2.3046 -4.147842 3.258214 
1 1 1   10   11   10 o  286.407   2.0619  644.045   9.2673  644.727   13.156  643.373   13.057  286.468   2.9264  286.169   2.9074 0.2986145 4.125145 
1 1 1   10   11   11 o  100.134   1.8159   78.727   2.8536   73.968   4.1707   82.915   3.9127   96.982   2.7432  102.738   2.4269 -5.755470 3.662585 
1 1 1   10   11   12 o   60.467   2.4130   28.774   2.2851   28.212   3.4228   29.227   3.0693   59.756   3.6677   60.871   3.2246 -1.115494 4.883671 
1 1 1   10   11   13 o   90.647   1.8104   64.533   2.5753   70.903   3.7363   58.769   3.5545   94.943   2.5099   86.421   2.6239 8.521904 3.631081 
1 1 1   10   11   14 o  170.681   1.5165  228.758   4.0620  227.280   5.7788  230.201   5.7109  170.061   2.1653  171.156   2.1262 -1.094238 3.034701 
1 1 1   10   11   15 o  121.956   1.6318  116.826   3.1230  113.988   4.4414  119.602   4.3922  120.397   2.3507  123.336   2.2692 -2.938660 3.267304 
1 1 1   10   11   16 o   74.283   2.0408   43.414   2.3767   42.022   3.4249   44.707   3.3009   72.967   2.9974   75.293   2.7986 -2.326042 4.100760 
1 1 1   10   11   17 o  136.833   1.6243  147.126   3.4879  144.961   4.8897  149.369   4.9766  135.724   2.2957  137.771   2.3018 -2.046967 3.250959 
1 1 1   10   11   18 o   54.274   2.7518   23.285   2.3361   25.542   3.3552   21.161   3.2547   56.669   3.7947   51.504   4.0596 5.164829 5.557009 
1 1 1   10   11   19 o   61.685   2.4520   30.045   2.3688   32.221   3.3807   27.946   3.3203   63.703   3.3939   59.272   3.5863 4.430698 4.937665 
1 1 1   10   11   20 o   33.467   4.2192   9.0763   2.1667   9.8622   3.1138   8.3384   3.0169   34.400   5.9852   31.469   6.3286 2.931309 8.710550 
1 1 1   10   11   21 o   50.536   2.8438   20.302   2.2462   18.033   3.1811   22.558   3.1722   47.206   4.3428   53.005   3.8396 -5.798740 5.796775 
1 1 1   10   11   22 o   49.886   3.2666   19.919   2.5433   19.945   3.8225   19.898   3.4068   49.276   5.0128   49.455   4.4367 -0.1788292 6.694242 
1 1 1   10   11   23 o   32.505   4.6063   8.7476   2.2839   7.8972   3.2878   9.5406   3.1750   29.887   7.1133   33.274   6.3112 -3.386751 9.509457 
1 1 1   10   11   24 o   13.315   5.8314  -0.2261   2.3243  -3.1559   3.1283   3.3846   3.4728   12.565   5.9513   21.014   7.8440 -8.449215 9.846139 
1 1 1   10   11   25 o   18.802   5.9498   3.0360   1.9668   5.1189   2.7921   0.9844   2.7710   23.754   7.0097   15.969   6.6577 7.784336 9.667525 
1 1 1   10   11   26 o   15.289   5.7717   1.6904   1.8915   1.8241   2.7219   1.5656   2.6305   16.879   6.7628   16.312   6.6084 0.5664654 9.455500 
1 1 1   10   11   27 o   14.622   5.6667   1.5319   1.8552   2.5749   2.6297   0.4984   2.6177   17.613   6.7676   14.368   6.2420 3.245168 9.206687 
1 1 1   10   11   28 o   24.348   4.9622   5.4116   1.8316   3.7650   2.6040   7.0239   2.5767   19.437   6.8575   26.784   6.2457 -7.347212 9.275412 
1 1 1   10   11   29 o   19.646   5.5700   3.7476   1.7958  -0.0443   2.5836   7.2915   2.4977   13.155   5.9291   27.227   6.0071 -14.07194 8.440353 
1 1 1   10   11   30 o   9.9058   4.5707  -0.6605   1.6556   1.6649   2.4166  -2.7172   2.2728   14.726   6.1838   9.7000   4.7147 5.026087 7.776093 
1 1 1   10   11   31 o   10.643   4.8713  -0.1590   1.8287   1.9474   2.7788  -1.7681   2.4287   14.570   6.3786   10.397   5.0096 4.173097 8.110580 
1 1 1   10   12    0 o  117.252   2.5686  108.048   4.7212  108.048   4.7212  108.048   4.7212  117.252   2.5686  117.252   2.5686 -0.000000 0.000000 
1 1 1   10   12    1 o  240.708   1.6046  454.694   6.0612  450.775   8.5483  458.658   8.5956  239.651   2.2730  241.738   2.2658 -2.086563 3.209404 
1 1 1   10   12    2 o  164.473   1.6140  212.290   4.1659  209.786   5.8413  214.882   5.9431  163.488   2.2767  165.462   2.2888 -1.973450 3.228348 
1 1 1   10   12    3 o  239.800   1.6398  451.280   6.1710  451.819   8.9773  450.798   8.4968  239.922   2.3843  239.655   2.2593 0.2669525 3.284708 
1 1 1   10   12    4 o  212.210   1.5760  353.411   5.2485  354.996   7.4417  351.843   7.4035  212.668   2.2298  211.721   2.2283 0.9466248 3.152312 
1 1 1   10   12    5 o   54.160   2.8963   23.096   2.4527   24.547   3.5138   21.718   3.4253   55.753   4.0435   52.409   4.1998 3.344147 5.829975 
1 1 1   10   12    6 o  214.350   1.5656  360.590   5.2665  366.557   7.5463  354.924   7.3533  216.093   2.2253  212.637   2.2036 3.455536 3.131747 
1 1 1   10   12    7 o  159.204   1.5765  198.927   3.9387  200.349   5.5995  197.534   5.5413  159.752   2.2336  158.626   2.2260 1.126099 3.153401 
1 1 1   10   12    8 o  211.928   1.7202  352.543   5.7212  352.333   7.7726  352.792   8.4520  211.831   2.3381  211.956   2.5410 -0.1247253 3.453055 
1 1 1   10   12    9 o   18.249   6.1064   2.4698   2.0566   6.2004   2.9984  -0.8445   2.8261   27.478   6.9498   14.468   6.3799 13.00977 9.434115 
1 1 1   10   12   10 o  102.513   2.2974   82.547   3.6959   78.582   5.1724   86.682   5.2829   99.910   3.3035  104.947   3.2115 -5.037384 4.607233 
1 1 1   10   12   11 o   39.869   3.3625   12.594   2.0842   11.991   2.9843   13.169   2.9121   38.655   5.0395   40.600   4.6547 -1.945095 6.860248 
1 1 1   10   12   12 o   41.852   3.4162   13.880   2.2242   15.378   3.0800   12.247   3.2153   43.915   4.5344   38.988   5.4001 4.927795 7.051312 
1 1 1   10   12   13 o   35.670   4.3613   10.192   2.3906   11.147   3.3193   9.1631   3.4460   37.038   5.9093   33.336   6.8173 3.701977 9.021940 
1 1 1   10   12   14 o  118.139   1.9552  109.674   3.6248  109.300   5.0727  110.064   5.1816  117.853   2.7428  118.258   2.7921 -0.4050064 3.913890 
1 1 1   10   12   15 o  102.060   2.0566   81.889   3.2939   83.645   4.6599   80.134   4.6567  103.012   2.8854  100.815   2.9466 2.196838 4.124039 
1 1 1   10   12   16 o  120.463   1.9320  114.090   3.6523  115.296   5.2467  112.955   5.0872  120.972   2.7637  119.748   2.7071 1.224373 3.868657 
1 1 1   10   12   17 o   11.009   5.0505  -1.3893   1.9812  -2.4191   2.8251  -0.3929   2.7790   12.682   5.8929   14.751   6.4196 -2.068644 8.714197 
1 1 1   10   12   18 o   47.043   2.9645   17.545   2.1774   16.358   3.1077   18.690   3.0517   45.122   4.4465   48.348   4.0596 -3.225990 6.020961 
1 1 1   10   12   19 o   25.117   5.2987   5.2585   2.0227   4.9485   2.8942   5.5544   2.8281   24.288   7.1286   25.607   6.8881 -1.318880 9.912760 
1 1 1   10   12   20 f   33.908   4.3604   9.3584   2.2666   7.3873   3.0292   11.866   3.4167   29.394   6.7143   37.721   5.9703 -8.327080 8.984801 
1 1 1   10   12   21 o   10.008   4.7327  -2.1619   1.9637  -1.5776   2.7978  -2.7292   2.7568   13.231   6.0442   12.034   5.6654 1.197111 8.284280 
1 1 1   10   12   22 o   45.477   3.4629   16.639   2.4528   16.236   3.4498   17.051   3.4881   44.315   5.0507   45.462   4.9701 -1.146137 7.085977 
1 1 1   10   12   23 o   71.009   2.2176   39.979   2.4681   36.884   3.4615   43.179   3.5202   67.792   3.2633   73.458   3.0604 -5.665657 4.473797 
1 1 1   10   12   24 o   35.570   4.0875   10.425   2.2403   12.018   3.0272   8.4972   3.3310   37.666   5.2649   30.688   7.0632 6.978090 8.809525 
1 1 1   10   12   25 o   14.406   5.8562   1.0003   2.0739   1.9380   2.8231  -0.0990   3.0567   17.420   6.9178   15.063   6.6388 2.357019 9.588009 
1 1 1   10   12   26 o   16.208   6.1752   1.9975   2.1773   0.8135   3.1059   3.1416   3.0531   15.873   6.8475   19.209   7.3139 -3.335703 10.01904 
1 1 1   10   12   27 o   13.289   5.5198   0.8662   1.8946   2.6078   2.7042  -0.8129   2.6552   17.527   6.8277   12.780   5.8571 4.746127 8.995730 
1 1 1   10   12   28 o   16.508   5.8434   2.5191   1.8921  -0.1073   2.7041   5.0387   2.6485   13.408   6.0523   21.925   6.8999 -8.516541 9.178213 
1 1 1   10   12   29 o   7.4471   3.7158  -4.0363   1.7628  -1.3925   2.5439  -6.4782   2.4449   11.600   5.4553   8.2099   4.1350 3.390408 6.845354 
1 1 1   10   12   30 o   15.317   5.5992   2.3704   1.7535   3.7965   2.5350   1.0622   2.4281   18.008   6.7057   13.539   5.9438 4.468590 8.960805 
1 1 1   10   13    0 o  272.502   2.3539  582.910   10.064  582.910   10.064  582.910   10.064  272.502   2.3539  272.502   2.3539 -0.000000 0.000000 
1 1 1   10   13    1 o  161.226   1.6648  204.003   4.2122  201.141   5.9313  206.914   5.9828  160.074   2.3611  162.355   2.3482 -2.281616 3.330003 
1 1 1   10   13    2 o  103.802   1.9652   84.571   3.2012   90.144   4.5655   79.181   4.4899  107.119   2.7181  100.382   2.8531 6.736206 3.940563 
1 1 1   10   13    3 o   42.291   3.6742   14.155   2.4143   13.651   3.4086   14.663   3.4202   41.314   5.3855   42.870   5.1892 -1.556419 7.478736 
1 1 1   10   13    4 o  220.319   1.5931  380.961   5.5082  393.450   7.9168  369.243   7.6687  223.874   2.2534  216.878   2.2532 6.996231 3.186645 
1 1 1   10   13    5 o   20.878   6.4188   3.4299   2.3067   2.5667   3.2766   4.2781   3.2480   20.563   7.6301   23.661   7.6625 -3.098276 10.81350 
1 1 1   10   13    6 o  270.146   1.6373  572.816   6.9411  577.777   9.8725  567.967   9.7609  271.268   2.3191  268.956   2.3126 2.312195 3.275118 
1 1 1   10   13    7 o  134.287   1.6703  141.554   3.5200  144.926   5.0204  138.294   4.9367  135.850   2.3549  132.705   2.3705 3.145264 3.341392 
1 1 1   10   13    8 o   20.538   6.5882   3.2529   2.4049   5.1463   3.2949   1.0941   3.5182   25.373   7.6456   18.744   7.6246 6.628378 10.79766 
1 1 1   10   13    9 o   78.671   2.2191   48.653   2.7370   44.547   3.8495   52.852   3.8923   75.190   3.2702   81.934   3.0324 -6.744286 4.459746 
1 1 1   10   13   10 o   99.401   2.0095   77.606   3.1346   76.290   4.3088   79.085   4.5687   98.469   2.7912  100.246   2.9072 -1.777359 4.030209 
1 1 1   10   13   11 o  124.128   1.7895  121.008   3.4859  124.213   4.9593  117.878   4.9009  125.705   2.5140  122.454   2.5503 3.250587 3.581092 
1 1 1   10   13   12 o   14.617   5.8288   0.8636   2.0122   1.1866   2.8487   0.5419   2.8428   17.294   6.9221   16.295   6.7644 0.9986038 9.678443 
1 1 1   10   13   13 o   52.782   2.6854   21.977   2.2170   25.476   3.1880   18.700   3.0852   56.726   3.5998   48.492   4.0924 8.233356 5.450325 
1 1 1   10   13   14 o   43.199   3.1739   14.788   2.1366   14.493   3.0545   15.070   2.9898   42.523   4.6532   43.409   4.4519 -0.8855972 6.439819 
1 1 1   10   13   15 o   86.926   1.9314   59.406   2.6347   56.266   3.7400   62.499   3.7122   84.457   2.8258   89.044   2.6596 -4.586624 3.880542 
1 1 1   10   13   16 o   34.107   4.0630   9.3445   2.1320   9.6367   3.0353   9.0600   2.9953   34.241   5.8591   33.149   5.9779 1.092812 8.370437 
1 1 1   10   13   17 o   40.780   3.4291   13.248   2.1742   10.805   3.0905   15.642   3.0593   36.314   5.6032   44.120   4.4806 -7.806553 7.174363 
1 1 1   10   13   18 o   47.275   3.2416   17.777   2.3903   16.722   3.3878   18.823   3.3731   45.468   4.8213   48.358   4.4963 -2.889961 6.592535 
1 1 1   10   13   19 o   17.976   6.2816   2.4011   2.1815   0.3124   3.0841   4.4926   3.0862   16.284   6.9190   23.338   7.4609 -7.053396 10.17535 
1 1 1   10   13   20 o   35.886   4.6280   10.543   2.5457   9.5806   3.6102   11.496   3.5901   33.299   7.1242   36.831   6.4461 -3.532318 9.607577 
1 1 1   10   13   21 o   27.867   4.9804   6.4970   2.0981   8.8626   2.9810   4.1747   2.9536   32.229   6.1176   22.325   7.3123 9.903357 9.533881 
1 1 1   10   13   22 o   55.673   3.5352   24.963   3.0727   23.560   4.5357   26.153   4.1772   53.111   5.5225   56.410   4.7632 -3.298595 7.292879 
1 1 1   10   13   23 o   31.160   4.4747   8.0807   2.1254   9.0291   3.0045   7.1307   3.0071   32.214   6.1678   28.258   6.8526 3.955582 9.219507 
1 1 1   10   13   24 o   37.356   4.1610   11.559   2.3980   11.731   3.2483   11.353   3.5549   36.756   5.8256   35.688   6.5901 1.068066 8.795864 
1 1 1   10   13   25 o   20.513   6.2489   3.8212   2.1927   3.1430   3.1028   4.4977   3.0990   19.525   7.3874   21.981   7.4956 -2.456320 10.52411 
1 1 1   10   13   26 o   14.362   5.9041   1.1269   2.1375   3.0986   3.0964  -0.6678   2.9542   18.888   7.3206   13.724   6.2467 5.163812 9.623545 
1 1 1   10   13   27 o   9.7931   4.6982  -2.2818   2.0830   0.9899   3.0230  -5.2394   2.8743   15.353   6.6884   9.9819   4.9402 5.370833 8.315088 
1 1 1   10   13   28 o   16.250   6.2983   2.3401   2.2920   3.7948   3.3462   1.0543   3.1460   19.129   7.5521   15.330   6.7467 3.798512 10.12683 
1 1 1   10   13   29 o   12.182   5.3083   0.4818   1.9051   0.0762   2.6516   0.9145   2.7389   13.099   5.9449   14.198   6.2698 -1.099303 8.640182 
1 1 1   10   13   30 f   18.944   5.7858   3.9895   1.8781   3.3826   2.6057   4.6457   2.7095   16.742   6.6470   18.915   6.9527 -2.172565 9.618847 
1 1 1   10   14    0 o  187.461   2.2811  275.939   6.7083  275.939   6.7083  275.939   6.7083  187.461   2.2811  187.461   2.2811 0.000000 0.000000 
1 1 1   10   14    1 o  222.549   1.6089  388.735   5.6190  385.890   7.9079  391.637   7.9856  221.702   2.2729  223.346   2.2784 -1.644455 3.218249 
1 1 1   10   14    2 o  135.535   1.7852  144.190   3.7971  138.245   5.1463  151.294   5.6255  132.689   2.4715  138.805   2.5825 -6.116592 3.574591 
1 1 1   10   14    3 o   61.736   2.8504   29.999   2.7541   30.482   3.8808   29.510   3.9092   62.139   4.0009   61.126   4.0990 1.012787 5.727939 
1 1 1   10   14    4 o   23.739   6.4644   4.5908   2.4727   5.5606   3.5282   3.6547   3.4665   26.377   7.9035   22.741   7.9203 3.636032 11.18910 
1 1 1   10   14    5 o  224.348   1.7338  395.115   6.1041  398.325   8.6245  391.894   8.6404  225.206   2.4403  223.379   2.4648 1.827515 3.468502 
1 1 1   10   14    6 o  234.010   1.7226  429.909   6.3261  421.601   8.8442  438.614   9.0523  231.676   2.4326  236.303   2.4411 -4.627258 3.446221 
1 1 1   10   14    7 o  236.225   1.6274  438.095   6.0330  442.752   8.5785  433.537   8.4863  237.411   2.3025  234.927   2.3018 2.483383 3.255775 
1 1 1   10   14    8 o   87.465   2.2652   60.141   3.1066   58.735   4.3439   61.613   4.4448   86.353   3.2111   88.447   3.2076 -2.093925 4.538692 
1 1 1   10   14    9 o   55.136   2.9159   23.974   2.5140   22.335   3.6225   25.497   3.4919   53.037   4.3917   56.751   3.9454 -3.714096 5.903647 
1 1 1   10   14   10 o   96.806   2.3174   73.652   3.5205   73.382   4.4974   74.079   5.6574   96.532   2.9724   96.891   3.7276 -0.3589020 4.767629 
1 1 1   10   14   11 o  101.699   2.0386   81.270   3.2535   82.239   4.5291   80.237   4.6767  102.198   2.8267  100.928   2.9559 1.269524 4.089931 
1 1 1   10   14   12 o   43.450   3.7322   15.003   2.5202   16.128   3.6043   13.928   3.5253   44.802   5.2244   41.524   5.5486 3.277580 7.621107 
1 1 1   10   14   13 o   50.672   3.2520   20.327   2.5723   21.439   3.6702   19.253   3.6063   51.830   4.5587   49.061   4.7430 2.769295 6.578626 
1 1 1   10   14   14 o   26.806   5.7600   5.9488   2.3508   5.1917   3.3456   6.6872   3.3039   25.252   7.7240   28.273   7.3717 -3.021233 10.67715 
1 1 1   10   14   15 o   59.107   2.8740   27.613   2.6578   26.462   3.7683   28.752   3.7492   57.622   4.1960   60.118   3.9968 -2.495983 5.794895 
1 1 1   10   14   16 o   45.568   3.5970   16.538   2.5514   18.659   3.6391   14.487   3.5781   48.135   4.8851   42.188   5.5381 5.947281 7.384768 
1 1 1   10   14   17 o   59.852   2.8595   28.365   2.6780   28.537   3.8618   28.205   3.7169   59.738   4.1451   59.424   4.0093 0.3135643 5.766793 
1 1 1   10   14   18 o   38.606   4.2576   12.047   2.5366   13.220   3.6221   10.918   3.5535   39.938   5.9615   36.035   6.5239 3.902405 8.837488 
1 1 1   10   14   19 o   44.563   3.9069   15.994   2.7046   14.379   4.0656   17.277   3.6224   41.315   6.4838   45.923   5.1130 -4.607754 8.257318 
1 1 1   10   14   20 o   30.689   5.8752   7.9919   2.7265   9.3589   3.9770   6.7798   3.7450   32.475   7.8839   27.685   8.1043 4.790144 11.30645 
1 1 1   10   14   21 o   15.125   6.3772   0.5080   2.5868   4.6650   3.6633  -3.6263   3.6532   23.572   8.1456   13.630   6.4483 9.942004 10.38905 
1 1 1   10   14   22 o   62.921   4.7849   32.668   4.6893   29.671   6.6994   35.548   6.5659   57.914   7.5510   64.272   6.6036 -6.358791 10.03117 
1 1 1   10   14   23 o   16.125   6.7076   1.0131   2.8037  -1.5639   3.7588   4.2450   4.2093   15.283   6.9906   22.769   8.6066 -7.485948 11.08793 
1 1 1   10   14   24 o   17.850   6.9351   2.2618   2.7841   1.4070   3.7635   3.2949   4.1375   18.089   7.6627   20.946   8.3562 -2.857016 11.33771 
1 1 1   10   14   25 o   16.295   6.3969   1.9100   2.3889   4.0488   3.3820  -0.2197   3.3747   20.852   7.7491   15.161   6.8094 5.691089 10.31580 
1 1 1   10   14   26 o   13.745   5.9605   0.5227   2.3777  -2.1674   3.3716   3.1844   3.3537   13.111   6.2006   18.862   7.5238 -5.750615 9.749575 
1 1 1   10   14   27 o   27.864   5.5617   7.3655   2.3467   5.2719   3.2608   9.6149   3.3800   21.771   7.6743   30.158   7.2347 -8.386370 10.54686 
1 1 1   10   14   28 o   9.5828   4.6326  -2.4861   2.1189  -0.3838   2.8921  -4.9224   3.1134   13.246   6.0859   10.502   5.1873 2.743746 7.996686 
1 1 1   10   14   29 o   15.418   5.9080   2.3943   2.0004   1.7686   2.8687   2.9865   2.7909   14.932   6.5102   16.582   6.7736 -1.649982 9.394907 
1 1 1   10   14   30 o   13.195   5.7396   1.3781   2.2189   0.2162   3.1503   2.5220   3.1258   12.933   6.0786   15.129   6.6888 -2.195830 9.038235 
1 1 1   10   15    0 o  187.912   2.6925  277.405   7.9362  277.405   7.9362  277.405   7.9362  187.912   2.6925  187.912   2.6925 0.000000 0.000000 
1 1 1   10   15    1 o   16.273   6.5087   1.0175   2.5167   0.2665   3.6143   1.7244   3.5065   17.887   7.5397   19.629   7.7367 -1.742456 10.80295 
1 1 1   10   15    2 o   79.814   2.4097   50.081   3.0147   48.609   4.3063   51.496   4.2219   78.546   3.5024   80.865   3.3341 -2.318810 4.835605 
1 1 1   10   15    3 o  196.106   1.7394  301.930   5.3529  307.929   7.7009  296.322   7.4459  197.987   2.4786  194.223   2.4429 3.764069 3.480111 
1 1 1   10   15    4 o  190.848   1.7426  285.971   5.2189  278.332   7.3349  293.804   7.4274  188.221   2.4832  193.386   2.4474 -5.164368 3.486574 
1 1 1   10   15    5 o   35.118   4.6902   9.8942   2.5203   9.0891   3.4772   10.785   3.6580   33.259   6.8890   36.341   6.6595 -3.081692 9.581639 
1 1 1   10   15    6 o  105.321   1.9054   87.114   3.1492   94.554   4.5292   80.151   4.3817  109.682   2.6314  100.936   2.7689 8.745506 3.819786 
1 1 1   10   15    7 o   64.347   2.5556   32.596   2.5755   35.527   3.6843   29.795   3.6017   67.087   3.5118   61.393   3.7564 5.694118 5.142265 
1 1 1   10   15    8 o  157.498   1.8315  194.829   4.5269  191.722   6.2436  198.272   6.5731  156.166   2.5477  158.800   2.6376 -2.634460 3.667103 
1 1 1   10   15    9 o   53.548   2.9523   22.631   2.4713   20.785   3.5063   24.454   3.4838   51.120   4.4140   55.536   4.0246 -4.416851 5.973335 
1 1 1   10   15   10 o   47.493   3.4799   17.871   2.5756   15.462   3.4213   21.023   3.9129   43.903   5.0582   51.305   4.9202 -7.402431 7.056447 
1 1 1   10   15   11 o   39.572   3.7674   12.470   2.3114   4.9503   3.2545   20.123   3.2833   24.789   7.6248   50.286   4.1989 -25.49667 8.704540 
1 1 1   10   15   12 o   47.084   3.1618   17.555   2.3227   19.536   3.3194   15.655   3.2513   49.496   4.3167   44.182   4.7645 5.313267 6.429155 
1 1 1   10   15   13 o   32.495   4.5532   8.5348   2.2583   7.6083   3.2443   9.4057   3.1453   30.164   6.9905   33.782   6.1598 -3.618603 9.317227 
1 1 1   10   15   14 o   72.596   2.3739   41.538   2.7008   39.520   4.0231   43.193   3.6439   70.593   3.6439   73.905   3.1491 -3.312820 4.816071 
1 1 1   10   15   15 o   68.758   2.5561   37.315   2.7533   38.420   4.0601   36.374   3.7463   69.541   3.7341   67.702   3.5384 1.839188 5.144254 
1 1 1   10   15   16 o   41.262   3.9144   13.646   2.5043   14.794   3.6688   12.644   3.4269   42.523   5.6365   39.232   5.7358 3.291180 8.041730 
1 1 1   10   15   17 o   71.470   2.5269   40.387   2.8297   42.959   4.1402   38.134   3.8765   73.428   3.6040   69.178   3.5830 4.250244 5.081973 
1 1 1   10   15   18 o   46.415   3.2904   17.210   2.3812   18.986   3.3707   15.439   3.3642   48.407   4.4883   43.431   5.0289 4.975918 6.740529 
1 1 1   10   15   19 o   42.307   3.5088   14.387   2.3087   15.987   3.2648   12.786   3.2651   44.180   4.7851   39.207   5.4542 4.973221 7.255770 
1 1 1   10   15   20 o   50.208   3.0538   20.163   2.3948   19.930   3.3683   20.402   3.4054   49.422   4.3885   50.010   4.3835 -0.5877113 6.202728 
1 1 1   10   15   21 o   42.551   3.5037   14.640   2.3189   15.573   3.2894   13.718   3.2697   43.291   4.9295   40.438   5.2783 2.853271 7.222190 
1 1 1   10   15   22 o   15.779   6.3396   1.2922   2.3987  -1.3907   3.4745   3.7356   3.3157   14.860   6.7679   21.335   7.7140 -6.475390 10.26210 
1 1 1   10   15   23 o   20.957   6.2339   3.9110   2.2012   2.1308   3.1701   5.5684   3.0588   18.276   7.3066   24.501   7.3629 -6.225033 10.37301 
1 1 1   10   15   24 o   25.682   5.7850   5.9802   2.2753   7.3376   3.1593   4.5173   3.2797   27.574   7.2180   21.875   7.6977 5.698893 10.55246 
1 1 1   10   15   25 o   9.9424   4.7834  -2.6245   2.1948  -4.8197   2.9873  -0.0498   3.2352   10.604   5.2070   14.836   6.6650 -4.232033 8.457824 
1 1 1   10   15   26 o   31.662   5.0544   9.1372   2.4270   5.7604   3.3803   12.730   3.4868   22.752   7.8263   36.065   6.3949 -13.31330 10.10670 
1 1 1   10   15   27 o   24.387   5.9025   5.8823   2.2344   5.7866   3.3207   5.9614   3.0203   22.377   7.7543   23.097   7.3806 -0.7198524 10.70528 
1 1 1   10   15   28 o   12.215   5.3877   0.3673   2.0166   0.1572   2.8670   0.5731   2.8369   13.497   6.1474   13.893   6.2415 -0.3968668 8.760561 
1 1 1   10   15   29 o   9.5215   4.5748  -1.6406   1.9921  -1.0355   2.9062  -2.1769   2.7359   11.841   5.6446   10.733   5.2065 1.107864 7.679128 
1 1 1   10   16    0 o   34.773   7.0180   10.611   3.3932   10.611   3.3932   10.611   3.3932   34.773   7.0180   34.773   7.0180 0.000000 0.000000 
1 1 1   10   16    1 o   52.384   3.1247   21.658   2.5571   24.334   3.6377   19.045   3.5952   55.412   4.2149   48.908   4.7437 6.503822 6.345651 
1 1 1   10   16    2 o  106.447   1.9411   88.991   3.2425   89.392   4.6039   88.596   4.5676  106.601   2.7543  106.126   2.7449 0.4750061 3.888557 
1 1 1   10   16    3 o   18.448   6.5075   2.3629   2.3449   0.2629   3.3550   4.3686   3.2788   17.219   7.2616   23.769   7.6988 -6.550205 10.58308 
1 1 1   10   16    4 o  127.453   1.7889  127.570   3.5780  120.283   5.0159  135.118   5.1054  123.702   2.5838  131.118   2.4812 -7.415489 3.582245 
1 1 1   10   16    5 o   84.659   2.3780   56.371   3.1562   54.769   4.1077   58.679   4.9315   83.372   3.1452   86.239   3.6522 -2.866844 4.819855 
1 1 1   10   16    6 o   54.355   3.0203   23.317   2.5662   25.017   3.6442   21.646   3.6143   56.165   4.1641   52.180   4.4564 3.985580 6.099150 
1 1 1   10   16    7 o   82.051   2.4246   52.974   3.1185   52.062   4.4298   53.869   4.3910   81.221   3.4835   82.633   3.3933 -1.412239 4.863098 
1 1 1   10   16    8 o   77.207   2.7555   46.960   3.3333   46.378   4.6499   47.575   4.7808   76.576   3.8820   77.551   3.9412 -0.9749908 5.532032 
1 1 1   10   16    9 o   97.906   2.3727   75.383   3.6455   74.956   5.3450   75.755   4.9847   97.436   3.5013   97.997   3.2458 -0.5609970 4.774326 
1 1 1   10   16   10 o   13.426   6.0660  -1.4185   2.7237  -1.3927   4.0725  -1.4393   3.6636   17.020   7.5737   15.978   7.1416 1.042586 10.40980 
1 1 1   10   16   11 o   38.374   4.7995   11.864   2.8272   13.108   4.1690   10.804   3.8470   39.863   6.9149   36.075   7.0482 3.787739 9.873843 
1 1 1   10   16   12 o   94.205   2.2088   69.826   3.2653   68.205   4.7086   71.327   4.5322   92.904   3.2345   95.048   3.0425 -2.143234 4.440565 
1 1 1   10   16   13 o   53.129   2.9927   22.342   2.4850   19.551   3.5173   25.124   3.5114   49.386   4.5909   56.163   4.0105 -6.776981 6.095907 
1 1 1   10   16   14 o   11.288   5.2187  -1.7212   2.1737  -0.5550   3.1180  -2.8238   3.0319   15.429   6.7557   12.904   6.0321 2.525306 9.056797 
1 1 1   10   16   15 o   57.913   2.7425   26.542   2.4854   29.536   3.6004   23.818   3.4351   60.871   3.7879   54.576   4.0394 6.294640 5.537595 
1 1 1   10   16   16 o   12.763   5.6494  -0.6190   2.2363  -0.1336   3.2175  -1.0726   3.1104   16.066   6.9502   14.722   6.5804 1.344081 9.571181 
1 1 1   10   16   17 o   51.470   3.0447   21.091   2.4483   19.723   3.4435   22.489   3.4815   49.345   4.4962   52.806   4.2368 -3.460781 6.177886 
1 1 1   10   16   18 o   49.551   3.1999   19.626   2.4750   20.606   3.5095   18.656   3.4909   50.342   4.4893   47.796   4.7155 2.545345 6.510742 
1 1 1   10   16   19 o   20.689   6.4036   3.6195   2.2912   1.7814   3.2471   5.4423   3.2335   18.410   7.3830   24.923   7.5876 -6.513636 10.58683 
1 1 1   10   16   20 o   46.805   3.3559   17.644   2.4486   18.981   3.4402   16.271   3.4858   48.016   4.6226   44.192   5.1211 3.824448 6.898852 
1 1 1   10   16   21 o   75.160   2.4342   44.950   2.8673   50.875   3.9466   38.327   4.1729   79.586   3.1662   68.653   3.8891 10.93353 5.014968 
1 1 1   10   16   22 o   13.773   6.0214  -0.0682   2.4690   1.7730   3.6031  -1.6980   3.3900   18.475   7.6374   14.260   6.5655 4.215439 10.07155 
1 1 1   10   16   23 o   23.783   6.0513   5.1474   2.2637   3.4145   3.1966   6.8906   3.2061   20.093   7.5205   26.811   7.3852 -6.718147 10.54035 
1 1 1   10   16   24 o   18.242   6.4890   2.9859   2.3358   3.1050   3.2279   2.8550   3.3843   19.042   7.4476   18.790   7.5367 0.2522087 10.59566 
1 1 1   10   16   25 o   28.652   5.2832   7.5510   2.2880   8.0032   3.2480   7.1055   3.2236   27.593   7.3640   25.785   7.5109 1.808146 10.51860 
1 1 1   10   16   26 o   11.774   5.3451  -0.3939   2.1450  -1.2396   3.0188   0.4685   3.0484   12.837   6.0066   14.536   6.5046 -1.699241 8.853770 
1 1 1   10   16   27 f   11.586   5.2666  -0.3240   2.0910  -2.1957   2.9554   1.5520   2.9588   11.770   5.6332   15.405   6.6646 -3.634797 8.726377 
1 1 1   10   16   28 o   9.3638   4.5440  -2.2867   2.0891  -0.9769   2.8658  -3.7723   3.0519   12.045   5.7023   10.553   5.1980 1.491702 7.715951 
1 1 1   10   16   29 o   11.552   5.2952   0.1922   2.1721   0.0218   3.1190   0.3527   3.0269   12.659   5.9798   12.830   6.0071 -0.1710491 8.476019 
1 1 1   10   17    0 f   17.362   9.2607   3.4423   3.4302   3.4423   3.4302   3.4423   3.4302   17.362   9.2607   17.362   9.2607 0.000000 0.000000 
1 1 1   10   17    1 o   72.048   2.5382   40.861   2.8653   41.268   4.0435   40.451   4.0610   72.293   3.5752   71.566   3.6278 0.7269745 5.093386 
1 1 1   10   17    2 o   52.976   3.2301   22.174   2.6726   23.911   3.8581   20.571   3.7058   54.846   4.5226   50.816   4.7004 4.030346 6.522851 
1 1 1   10   17    3 o  245.762   1.8102  474.417   6.9816  470.101   9.9101  478.670   9.8371  244.509   2.5827  246.736   2.5406 -2.226990 3.622830 
1 1 1   10   17    4 o  115.943   2.0733  105.629   3.7723  108.222   5.4347  103.219   5.2403  117.233   2.9564  114.495   2.9189 2.738136 4.154549 
1 1 1   10   17    5 o  113.868   2.5351  101.967   4.5300  107.831   6.5768   96.674   6.2485  116.909   3.5890  110.687   3.6020 6.221512 5.084856 
1 1 1   10   17    6 o   35.670   4.9349   10.261   2.6885   8.8260   3.8528   11.623   3.7533   32.543   7.6705   37.655   6.5916 -5.111870 10.11360 
1 1 1   10   17    7 o   48.980   3.5343   19.018   2.6984   16.479   3.7654   21.698   3.8688   45.247   5.4101   52.128   4.7825 -6.881531 7.220924 
1 1 1   10   17    8 o  112.052   2.1716   98.727   3.8187   99.220   5.4251   98.243   5.3761  112.170   3.0849  111.618   3.0722 0.5519943 4.353674 
1 1 1   10   17    9 o   33.438   4.8750   9.0553   2.4829   8.2617   3.4255   9.9337   3.6039   31.461   7.1066   34.604   6.8789 -3.143173 9.890555 
1 1 1   10   17   10 o   64.137   2.7979   32.476   2.8093   36.969   3.9302   27.782   4.0172   68.292   3.6808   59.042   4.3665 9.250374 5.710979 
1 1 1   10   17   11 o   25.932   6.1491   5.6059   2.4642   8.6450   3.4334   2.3775   3.5387   32.136   7.0062   20.422   7.8496 11.71382 10.52159 
1 1 1   10   17   12 o   16.413   6.3996   1.3817   2.3773  -0.7361   3.2487   3.8233   3.4881   15.577   6.8557   22.707   7.9425 -7.129430 10.49209 
1 1 1   10   17   13 o   43.381   3.9047   15.051   2.6298   21.382   3.7048   8.6222   3.7336   51.593   4.6249   31.864   7.5778 19.72865 8.877676 
1 1 1   10   17   14 o   41.472   4.4174   13.874   2.8307   13.768   3.9820   13.982   4.0249   40.707   6.4480   41.021   6.4661 -0.3147964 9.131684 
1 1 1   10   17   15 o   41.650   4.4271   14.034   2.8493   13.739   4.0344   14.328   4.0246   40.497   6.5734   41.440   6.3942 -0.9433556 9.170365 
1 1 1   10   17   16 o   27.427   6.3856   6.4272   2.6969   6.8299   3.7882   6.0134   3.8402   27.997   8.1383   26.483   8.3049 1.514107 11.62774 
1 1 1   10   17   17 o   38.599   4.7287   12.228   2.8046   12.296   3.9834   12.161   3.9494   37.794   6.9731   37.591   6.9509 0.2036591 9.845759 
1 1 1   10   17   18 o   26.001   6.3936   5.8738   2.5903   8.9878   3.7870   3.1364   3.5507   31.741   7.6856   20.957   7.9085 10.78425 11.02782 
1 1 1   10   17   19 o   11.142   5.2571  -2.4066   2.3975  -1.8619   3.3942  -2.9490   3.3869   14.368   6.5986   13.435   6.3107 0.9332285 9.130489 
1 1 1   10   17   20 o   50.490   3.3270   20.568   2.6214   19.132   3.7462   21.945   3.6694   47.835   5.0674   51.540   4.5846 -3.704468 6.833508 
1 1 1   10   17   21 o   31.701   5.1055   8.5803   2.4537   4.0526   3.3408   13.883   3.6155   21.721   7.7568   39.969   5.9450 -18.24706 9.772930 
1 1 1   10   17   22 o   15.444   6.4517   0.9852   2.6100   1.6073   3.6737   0.3511   3.7087   18.112   7.6161   16.726   7.3443 1.386711 10.58036 
1 1 1   10   17   23 o   13.808   5.9162   0.5345   2.2886  -1.6036   3.2487   2.6411   3.2246   13.573   6.3110   18.437   7.3698 -4.864255 9.702657 
1 1 1   10   17   24 o   8.6883   4.3335  -5.3899   2.3874  -5.7274   3.2091  -4.9716   3.5727   10.572   5.2301   11.744   5.7519 -1.171786 7.774229 
1 1 1   10   17   25 o   17.273   6.3619   2.8333   2.2705   3.2651   3.2384   2.4158   3.1842   18.397   7.3748   17.151   7.1425 1.246513 10.26659 
1 1 1   10   17   26 o   12.007   5.4243  -0.1861   2.1771   0.5101   3.0606  -0.8992   3.0976   14.429   6.4826   13.140   6.1276 1.288991 8.920250 
1 1 1   10   17   27 o   11.125   5.1722  -0.7261   2.1807   0.1676   3.1711  -1.5278   3.0036   13.754   6.3388   12.080   5.7529 1.674166 8.560156 
1 1 1   10   17   28 o   10.026   4.8078  -1.4678   2.1761  -0.3636   3.0972  -2.5444   3.0582   12.478   5.9136   10.959   5.3579 1.518847 7.979842 
1 1 1   10   18    0 o   15.953   9.5095   2.2097   4.1903   2.2097   4.1903   2.2097   4.1903   15.953   9.5095   15.953   9.5095 0.000000 0.000000 
1 1 1   10   18    1 o  129.283   2.0626  131.362   4.1847  133.030   5.9864  129.769   5.8520  129.991   2.9346  128.392   2.9044 1.598404 4.128852 
1 1 1   10   18    2 o  177.925   1.8597  248.738   5.1926  246.387   7.2420  251.225   7.4491  176.966   2.6077  178.686   2.6565 -1.719910 3.722528 
1 1 1   10   18    3 o   65.262   2.9966   33.611   3.0608   34.518   4.2490   32.633   4.4128   65.972   4.1248   64.089   4.4146 1.883675 6.041696 
1 1 1   10   18    4 o   92.276   2.2620   66.957   3.2756   67.975   4.8035   66.072   4.4783   92.803   3.3035   91.522   3.1226 1.280891 4.545758 
1 1 1   10   18    5 o   46.184   3.9268   16.970   2.8191   16.111   4.3034   17.616   3.7311   44.495   6.3423   46.831   5.1624 -2.336678 8.177733 
1 1 1   10   18    6 o   49.763   3.4147   19.629   2.6504   22.849   3.7526   16.423   3.7440   53.520   4.5098   45.132   5.3929 8.388519 7.030083 
1 1 1   10   18    7 o   58.002   3.1423   26.607   2.8495   32.138   4.3557   22.468   3.7677   63.539   4.3954   53.038   4.5712 10.50063 6.341571 
1 1 1   10   18    8 o   96.358   2.3776   73.080   3.5952   72.531   5.0384   73.651   5.1317   95.789   3.3569   96.519   3.3933 -0.7297440 4.773156 
1 1 1   10   18    9 o   69.623   2.6948   38.256   2.9388   40.377   4.2889   36.378   4.0349   71.320   3.8463   67.692   3.8137 3.627235 5.416447 
1 1 1   10   18   10 o   57.200   2.9926   25.890   2.6769   31.386   3.8343   20.664   3.7390   62.818   3.9089   50.737   4.7512 12.08096 6.152486 
1 1 1   10   18   11 o   21.996   6.5401   3.9736   2.4231   4.7536   3.4412   3.2064   3.4127   24.334   7.8876   21.501   7.8186 2.832317 11.10606 
1 1 1   10   18   12 o   59.612   2.8575   28.131   2.6654   26.786   3.7156   29.557   3.8257   57.892   4.1167   60.848   4.0291 -2.956814 5.760313 
1 1 1   10   18   13 o   22.005   6.5717   4.0166   2.4424   5.0988   3.4586   2.9399   3.4497   24.837   7.8936   20.963   7.8192 3.874521 11.11077 
1 1 1   10   18   14 o   71.545   2.5412   40.498   2.8487   42.049   4.0327   38.953   4.0246   72.622   3.5492   69.848   3.6847 2.773735 5.116045 
1 1 1   10   18   15 o   22.764   6.5014   4.4034   2.4377   5.3408   3.4291   3.4459   3.4659   25.042   7.8471   21.613   7.8764 3.429001 11.11819 
1 1 1   10   18   16 o   45.473   3.6414   16.643   2.5769   12.586   3.5989   20.910   3.6913   38.588   6.1494   50.605   4.7019 -12.01721 7.740963 
1 1 1   10   18   17 o   26.325   5.9923   5.9733   2.4198   2.3828   3.3554   9.8641   3.4929   19.486   7.6014   33.638   6.8499 -14.15179 10.23236 
1 1 1   10   18   18 o   11.755   5.4317  -1.6224   2.3503  -3.6084   3.3354   0.3363   3.3124   12.801   6.0869   16.477   7.0895 -3.676019 9.344049 
1 1 1   10   18   19 o   10.111   4.9279  -4.2041   2.5296  -6.4412   3.3295  -1.1495   3.8905   11.008   5.4236   16.020   7.2429 -5.011740 9.048459 
1 1 1   10   18   20 o   48.424   3.6190   19.107   2.7303   19.290   3.7339   18.897   4.0025   47.840   5.0496   47.032   5.5283 0.8084373 7.487380 
1 1 1   10   18   21 o   17.376   6.6887   2.1766   2.5720   0.8934   3.6134   3.4945   3.6619   17.202   7.4030   20.747   7.9823 -3.544542 10.88675 
1 1 1   10   18   22 o   14.210   6.4517  -0.6834   3.1264  -0.4846   4.4867  -0.8710   4.3588   16.795   7.6654   16.287   7.4791 0.5079441 10.70956 
1 1 1   10   18   23 f   10.336   5.0382  -3.7617   2.6463  -5.8440   3.7697  -1.7386   3.7157   11.746   5.7841   14.121   6.6256 -2.374521 8.795129 
1 1 1   10   18   24 o   14.248   6.1416   0.8969   2.4945  -2.3156   3.3529   4.8791   3.7330   12.731   6.0673   20.926   8.0574 -8.195724 10.08628 
1 1 1   10   18   25 o   10.879   5.1223  -1.4267   2.2546  -1.8175   3.1920  -1.0376   3.1848   12.608   5.9834   13.212   6.1782 -0.6039419 8.600675 
1 1 1   10   18   26 o   13.809   5.8507   1.2339   2.1946   5.7377   3.1156  -3.2010   3.0917   21.728   7.5120   11.245   5.4731 10.48313 9.294321 
1 1 1   10   18   27 o   12.178   5.5062   0.4171   2.2487  -1.7103   3.3318   2.1971   3.0476   12.024   5.8118   15.072   6.6364 -3.047834 8.821541 
1 1 1   10   19    0 o   56.127   4.5097   25.312   3.9113   25.312   3.9113   25.312   3.9113   56.127   4.5097   56.127   4.5097 0.000000 0.000000 
1 1 1   10   19    1 o   57.642   3.0089   26.257   2.7124   25.492   3.8726   26.993   3.8003   56.566   4.3971   58.257   4.1847 -1.691498 6.070083 
1 1 1   10   19    2 o   75.400   2.4908   44.795   2.9432   39.690   4.1321   50.051   4.1931   70.779   3.7333   79.573   3.3655 -8.793579 5.026343 
1 1 1   10   19    3 o   21.920   6.6247   3.8898   2.4711   3.8273   3.5448   3.9489   3.4465   22.887   8.0066   22.986   7.9027 -0.9942436E-01 11.24986 
1 1 1   10   19    4 o   85.630   2.3039   57.737   3.0932   58.887   4.3851   56.599   4.3638   86.330   3.2425   84.625   3.2922 1.705406 4.620893 
1 1 1   10   19    5 o   21.592   6.6924   3.7457   2.5016   5.4543   3.5679   2.0936   3.5084   25.872   7.9881   19.959   7.7764 5.912863 11.14819 
1 1 1   10   19    6 o   12.549   5.7046  -1.4331   2.4539  -2.1892   3.4391  -0.6488   3.5025   14.628   6.6896   16.346   7.1585 -1.717703 9.797676 
1 1 1   10   19    7 o   39.114   5.2683   12.418   3.1516   12.046   4.4720   12.785   4.4422   37.839   7.7908   39.087   7.5149 -1.248039 10.82449 
1 1 1   10   19    8 o   33.210   5.7851   9.0840   2.9055   13.058   4.2367   5.5556   3.9922   39.602   7.0770   26.239   8.4948 13.36226 11.05646 
1 1 1   10   19    9 o   16.129   6.5583   0.9173   2.6018  -1.5670   3.5853   3.6810   3.7816   15.545   6.9974   22.789   8.2384 -7.243299 10.80900 
1 1 1   10   19   10 o   56.660   3.3195   25.494   2.9387   24.536   4.0167   26.598   4.3107   55.256   4.6760   57.504   4.8212 -2.248283 6.716357 
1 1 1   10   19   11 o   15.043   6.3686   0.2524   2.5972   4.1517   3.5709  -4.1271   3.7844   23.212   8.0412   13.863   6.5601 9.349151 10.37765 
1 1 1   10   19   12 o   23.596   6.6382   4.6997   2.5608   4.7994   3.6738   4.6056   3.5714   24.362   8.1617   23.932   8.0474 0.4290867 11.46182 
1 1 1   10   19   13 o   59.012   3.0080   27.686   2.7764   29.683   3.9332   25.703   3.9198   60.758   4.1501   56.410   4.4643 4.347980 6.095324 
1 1 1   10   19   14 o   23.207   6.5669   4.6042   2.4986   5.9665   3.4960   3.1818   3.5724   26.216   7.8700   21.257   7.9515 4.958883 11.18763 
1 1 1   10   19   15 o   36.545   4.5407   10.961   2.5481   13.930   3.6206   8.0474   3.5867   40.732   5.8303   30.152   7.5874 10.58023 9.568706 
1 1 1   10   19   16 o   29.848   5.7228   7.6005   2.5831   9.9499   3.7537   5.4873   3.5600   33.518   7.3402   25.009   8.0151 8.508516 10.86831 
1 1 1   10   19   17 o   27.284   6.3278   6.5183   2.6567   8.0960   3.7697   4.9616   3.7446   29.789   7.9258   23.968   8.2375 5.820683 11.43134 
1 1 1   10   19   18 o   19.088   6.8619   2.8734   2.6190   2.9283   3.6604   2.8157   3.7489   20.415   7.9463   20.359   8.0072 0.5597115E-01 11.28089 
1 1 1   10   19   19 o   15.337   6.7417  -0.0865   3.1328   1.5325   4.4663  -1.6546   4.3955   19.506   8.3084   16.411   7.5266 3.094315 11.21066 
1 1 1   10   19   20 o   42.782   3.9234   15.141   2.6048   17.079   3.6697   13.173   3.6979   44.511   5.3614   38.342   6.3692 6.169296 8.325343 
1 1 1   10   19   21 o   13.485   6.0267  -0.3095   2.6082   4.1254   4.1157  -3.2858   3.3716   21.355   8.3925   12.612   6.0307 8.743018 10.33457 
1 1 1   10   19   22 o   24.710   6.6744   6.0444   2.6486   2.3285   3.6939   9.9764   3.7998   18.082   7.6223   30.789   7.8435 -12.70677 10.93707 
1 1 1   10   19   23 o   13.035   5.8269   0.0286   2.4392   2.2731   3.3330  -2.5598   3.5793   17.186   7.2421   13.015   6.2208 4.171165 9.547084 
1 1 1   10   19   24 o   17.575   6.6200   3.0581   2.4854   0.7787   3.3241   5.9479   3.7428   15.130   6.7797   22.110   8.1638 -6.979881 10.61189 
1 1 1   10   19   25 o   14.476   6.1762   1.3765   2.4752   5.8914   3.5199  -3.0402   3.4814   21.665   7.9309   12.132   5.8823 9.533267 9.874235 
1 1 1   10   19   26 o   9.6606   4.7254  -2.8479   2.3880   1.5211   3.3984  -7.1091   3.3562   14.806   6.7239   9.6249   4.8474 5.181032 8.289002 
1 1 1   10   19   27 o   12.440   5.6264   0.8107   2.3504   3.7882   3.2924  -2.2838   3.3564   16.301   7.0412   11.366   5.5685 4.935386 8.977039 
1 1 1   10   20    0 f   21.027   9.8742   5.2068   3.6571   5.2068   3.6571   5.2068   3.6571   21.027   9.8742   21.027   9.8742 0.000000 0.000000 
1 1 1   10   20    1 o  117.153   2.0187  107.959   3.7113  106.770   5.2389  109.158   5.2584  116.360   2.8690  117.658   2.8479 -1.298279 4.042480 
1 1 1   10   20    2 o   23.936   6.5929   4.7606   2.5551   5.8081   3.6411   3.7444   3.5865   26.537   8.0461   22.722   8.0449 3.815832 11.37804 
1 1 1   10   20    3 o   83.333   2.4540   54.742   3.2057   58.423   4.5930   51.246   4.4764   85.908   3.4137   80.419   3.5558 5.488602 4.929188 
1 1 1   10   20    4 o   27.438   6.2719   6.2886   2.6415   7.2727   3.7931   5.3619   3.6807   29.353   8.0120   25.694   8.1404 3.659002 11.42186 
1 1 1   10   20    5 o   71.788   2.6677   40.687   3.0001   38.708   4.2708   42.615   4.2154   69.770   3.9164   73.273   3.6777 -3.503029 5.372486 
1 1 1   10   20    6 o   13.130   5.8843  -1.0412   2.5047  -2.4782   3.4952   0.4759   3.5912   14.474   6.6650   17.815   7.5128 -3.340713 10.04317 
1 1 1   10   20    7 o   87.322   2.4989   60.161   3.4208   60.810   4.5959   59.355   5.1223   87.601   3.3493   86.429   3.7858 1.172882 5.054696 
1 1 1   10   20    8 o   25.907   6.4927   5.6555   2.6342   5.0775   3.8486   6.1650   3.6131   25.154   8.3518   27.046   7.9720 -1.892694 11.54583 
1 1 1   10   20    9 o   37.776   4.3892   11.538   2.5537   13.880   3.6172   9.2114   3.6056   41.077   5.7703   32.914   7.1828 8.162548 9.213559 
1 1 1   10   20   10 o   31.691   5.2987   8.3044   2.5422   11.752   3.5751   4.7787   3.6156   37.500   6.2983   24.286   8.0960 13.21346 10.25738 
1 1 1   10   20   11 o   12.678   5.8132  -1.6730   2.6203  -2.9455   3.6296  -0.2879   3.7867   14.281   6.6506   17.145   7.4772 -2.863839 10.00697 
1 1 1   10   20   12 f   45.783   3.9748   16.902   2.8275   13.563   3.8709   20.721   4.1402   40.123   6.3595   50.219   5.3350 -10.09614 8.300958 
1 1 1   10   20   13 o   40.416   4.5813   13.363   2.8545   13.907   3.9715   12.782   4.1056   40.462   6.4726   38.492   7.0567 1.970474 9.575542 
1 1 1   10   20   14 o   61.551   3.0395   30.249   2.9268   27.012   4.0976   33.620   4.1820   57.526   4.5767   64.424   4.1587 -6.898037 6.183944 
1 1 1   10   20   15 o   20.257   6.9076   3.3565   2.6319   2.1249   3.5454   4.8683   3.9281   19.314   7.7252   24.005   8.4262 -4.690374 11.43149 
1 1 1   10   20   16 o   39.894   4.6277   13.185   2.8435   10.391   3.9614   16.155   4.0840   33.876   7.6350   43.380   6.1732 -9.504288 9.818445 
1 1 1   10   20   17 o   25.679   6.6958   5.9101   2.7257   2.7068   3.8451   9.1457   3.8645   20.280   8.0671   31.419   7.8585 -11.13871 11.26211 
1 1 1   10   20   18 o   18.963   6.9206   2.8700   2.6772   1.4763   3.7529   4.3142   3.8202   18.330   7.7021   22.413   8.2526 -4.083437 11.28845 
1 1 1   10   20   19 o   12.679   5.8205  -1.2863   2.6374  -1.0796   3.7245  -1.4942   3.7353   15.363   7.0010   15.021   6.9072 0.3412914 9.834801 
1 1 1   10   20   20 o   19.393   6.7569   3.4181   2.5230   1.3451   3.5530   5.5269   3.5835   17.205   7.3716   23.456   8.0584 -6.250603 10.92146 
1 1 1   10   20   21 o   15.077   6.4879   0.9160   2.7748   1.4460   3.7935   0.3063   4.0692   17.177   7.4876   16.414   7.4155 0.7625065 10.53822 
1 1 1   10   20   22 o   20.652   7.0675   4.4713   2.7557   8.9442   3.9002   0.0129   3.8939   27.753   8.3083   15.484   7.0949 12.26911 10.92545 
1 1 1   10   20   23 o   10.374   5.0059  -2.6160   2.4462  -3.1026   3.3423  -2.0547   3.5898   12.022   5.8135   13.158   6.2727 -1.135171 8.552400 
1 1 1   10   20   24 o   20.152   7.0987   4.6086   2.7897   1.9165   3.8371   7.6271   4.0630   16.502   7.3469   23.829   8.5490 -7.326513 11.27222 
1 1 1   10   20   25 o   12.960   5.8392   0.5395   2.5036   2.8826   3.7229  -1.3948   3.3826   16.528   7.3037   12.578   6.0216 3.949444 9.465978 
1 1 1   10   20   26 o   11.806   5.5491  -0.2208   2.6262   4.5795   3.6839  -5.1810   3.7447   17.122   7.4218   10.646   5.3275 6.476090 9.135965 
1 1 1   10   21    0 o   36.131   7.8230   11.749   3.8895   11.749   3.8895   11.749   3.8895   36.131   7.8230   36.131   7.8230 0.000000 0.000000 
1 1 1   10   21    1 o   21.114   6.7835   3.5537   2.5489   4.5595   3.5171   2.4411   3.6991   24.010   7.9845   20.700   8.0072 3.309868 11.30783 
1 1 1   10   21    2 o   15.236   6.3573   0.4724   2.5297   0.8925   3.5242   0.0259   3.6334   18.179   7.5376   17.345   7.4434 0.8332729 10.59337 
1 1 1   10   21    3 o   30.860   5.5437   7.8661   2.5861   8.6462   3.6260   7.0584   3.6893   31.930   7.3837   28.829   7.9149 3.100836 10.82422 
1 1 1   10   21    4 o   29.284   5.9241   7.1508   2.6289   4.7602   3.7294   9.5117   3.7062   24.509   8.2234   33.519   7.2566 -9.010029 10.96734 
1 1 1   10   21    5 o   52.945   3.5887   22.334   2.9641   19.563   4.0922   25.392   4.2991   49.053   5.4056   56.107   4.9328 -7.054256 7.317980 
1 1 1   10   21    6 o   32.173   5.8375   8.6074   2.8387   10.059   3.9834   7.1099   4.0465   34.306   7.5994   28.833   8.4197 5.472399 11.34207 
1 1 1   10   21    7 o   15.114   6.6026  -0.4039   2.9637   0.8641   3.8337  -2.2873   4.6722   18.660   7.8090   17.293   7.8653 1.367167 11.08351 
1 1 1   10   21    8 o   26.316   7.0781   5.9221   2.9864   7.5303   4.2257   4.3173   4.2212   29.448   8.6055   24.022   8.7013 5.425791 12.23792 
1 1 1   10   21    9 o   13.943   6.1738  -0.6739   2.6729  -0.2244   3.7643  -1.1309   3.7959   17.149   7.4675   16.284   7.2746 0.8659153 10.42509 
1 1 1   10   21   10 o   24.582   6.8794   5.1896   2.7579   8.7859   3.9117   1.6352   3.8889   31.608   7.9067   19.542   7.9908 12.06592 11.24139 
1 1 1   10   21   11 o   24.282   6.9063   5.0900   2.7564   6.9920   3.9091   3.2092   3.8871   28.105   8.2942   21.643   8.2498 6.461721 11.69844 
1 1 1   10   21   12 o   24.881   6.9189   5.3977   2.7992   2.1116   3.9791   8.6173   3.9386   20.125   8.1370   31.004   8.0312 -10.87910 11.43289 
1 1 1   10   21   13 o   25.787   6.7991   5.8461   2.7902   5.0308   3.9508   6.6574   3.9410   24.346   8.4568   27.195   8.3951 -2.848673 11.91621 
1 1 1   10   21   14 o   35.889   5.2053   10.824   2.8462   6.7367   3.9769   15.117   4.0752   27.167   8.4411   41.876   6.4043 -14.70912 10.59563 
1 1 1   10   21   15 o   12.728   5.8551  -1.5814   2.6877  -0.1947   3.7898  -2.9846   3.8122   16.750   7.3869   14.333   6.7207 2.416677 9.986721 
1 1 1   10   21   16 o   12.560   5.8191  -1.8026   2.7245  -1.9393   3.8403  -1.6640   3.8659   15.134   6.9751   15.420   7.0670 -0.2863188 9.929461 
1 1 1   10   21   17 o   18.128   6.8113   2.4887   2.6276   4.7622   3.7793   0.3615   3.6556   23.021   8.2469   16.803   7.3369 6.218924 11.03814 
1 1 1   10   21   18 o   14.574   6.2209   0.5510   2.5133  -0.3171   3.5694   1.4046   3.5394   15.735   7.0401   17.608   7.4436 -1.872596 10.24554 
1 1 1   10   21   19 o   15.676   6.4342   1.4291   2.5332   0.5742   3.5320   2.3347   3.6352   16.237   7.1471   18.468   7.6563 -2.231274 10.47376 
1 1 1   10   21   20 o   20.300   6.8677   4.0671   2.6010   11.316   3.8371  -2.0959   3.5380   33.162   7.5438   13.519   6.3809 19.64296 9.880521 
1 1 1   10   21   21 o   12.900   5.8793  -0.4269   2.6279   1.7598   3.7554  -2.5250   3.6785   16.957   7.4196   13.202   6.3094 3.754665 9.739570 
1 1 1   10   21   22 o   11.298   5.4849  -3.3013   3.0522  -6.9836   4.0782   1.3876   4.6020   11.455   5.7054   16.974   7.7532 -5.519122 9.626184 
1 1 1   10   21   23 o   11.009   5.2784  -2.1770   2.6206  -4.0498   3.5815  -0.0187   3.8448   11.764   5.7611   14.792   6.8736 -3.027658 8.968677 
1 1 1   10   21   24 o   10.868   5.2826  -2.6937   2.8546  -4.4220   3.9265  -0.7562   4.1575   11.786   5.8222   14.036   6.7076 -2.249906 8.882018 
1 1 1   10   21   25 o   12.742   5.7493   0.8946   2.4373   4.7320   3.5478  -2.5352   3.3542   17.507   7.4291   11.321   5.5508 6.185962 9.273731 
1 1 1   10   22    0 o   18.661   10.606   3.8964   4.8261   3.8964   4.8261   3.8964   4.8261   18.661   10.606   18.661   10.606 0.000000 0.000000 
1 1 1   10   22    1 o   11.477   5.5897  -5.5722   3.2396 -11.7578   4.4349   1.5044   4.7436   11.621   5.8130   21.098   8.7462 -9.476624 10.50170 
1 1 1   10   22    2 o   56.198   3.8193   25.250   3.3483   27.582   4.7919   23.024   4.6804   58.265   5.2987   53.043   5.7127 5.221134 7.791758 
1 1 1   10   22    3 o   18.184   7.2060   1.6599   3.0570   1.4580   4.3589   1.8553   4.2883   20.342   8.4038   20.705   8.4195 -0.3637218 11.89589 
1 1 1   10   22    4 o   16.250   6.7747   0.6576   2.8691   0.8420   4.0009   0.4623   4.1167   18.914   7.9504   18.704   7.9721 0.2101860 11.25892 
1 1 1   10   22    5 o   43.795   4.5784   15.557   3.1002   13.582   4.4048   17.495   4.3642   39.908   7.3023   45.874   6.2225 -5.966625 9.593862 
1 1 1   10   22    6 o   18.505   7.0093   2.1858   2.7952  -1.9391   3.9226   6.4413   3.9842   15.821   7.2001   27.344   8.4410 -11.52256 11.09471 
1 1 1   10   22    7 o   46.756   4.0865   17.644   2.9683   15.089   4.2241   20.137   4.1720   42.279   6.5805   49.455   5.4668 -7.176300 8.555082 
1 1 1   10   22    8 o   43.831   4.4831   15.639   3.0403   12.716   4.3062   18.544   4.2931   38.290   7.4345   47.168   5.9306 -8.878017 9.510205 
1 1 1   10   22    9 o   28.667   6.5429   7.1046   2.8784   9.6544   4.0574   4.5211   4.0840   32.955   7.9399   23.839   8.5688 9.116396 11.68190 
1 1 1   10   22   10 o   28.716   6.5935   7.1701   2.9085   10.406   4.1823   4.1399   4.0474   34.109   7.9595   23.104   8.4967 11.00410 11.64250 
1 1 1   10   22   11 o   15.065   6.5225   0.0244   2.8383  -0.5023   4.0089   0.5537   4.0189   17.075   7.5608   18.200   7.8197 -1.125130 10.87717 
1 1 1   10   22   12 o   15.332   6.5853   0.2523   2.8489   1.6392   3.9513  -1.2491   4.1113   19.258   7.9829   16.501   7.4543 2.757170 10.92216 
1 1 1   10   22   13 o   31.716   6.0333   8.7204   2.8932   7.3685   4.0202   10.173   4.1670   28.167   8.4358   33.213   8.0744 -5.046751 11.67726 
1 1 1   10   22   14 o   11.670   5.5594  -3.1255   2.8087  -4.5694   3.9474  -1.6447   3.9974   13.510   6.4776   15.747   7.2053 -2.237025 9.688934 
1 1 1   10   22   15 o   17.045   7.0323   1.3751   3.0468  -2.4546   4.2005   5.6269   4.4259   15.409   7.1687   24.795   8.9192 -9.385484 11.44306 
1 1 1   10   22   16 o   12.236   5.8006  -2.8375   2.9847  -0.6653   4.2558  -4.9400   4.1870   16.795   7.5859   13.611   6.5632 3.184024 10.03102 
1 1 1   10   22   17 o   11.156   5.4140  -4.1529   2.9655  -4.8054   4.1291  -3.4577   4.2617   13.413   6.4801   14.488   6.8865 -1.074848 9.456008 
1 1 1   10   22   18 o   20.340   7.1692   3.9368   2.8457   0.2761   3.9587   7.8513   4.0936   16.497   7.3952   26.909   8.5917 -10.41145 11.33606 
1 1 1   10   22   19 o   20.622   7.1312   4.3024   2.8079   5.5856   3.8620   2.8633   4.0897   22.531   8.2974   18.876   7.9915 3.654814 11.52005 
1 1 1   10   22   20 o   9.9036   4.8704  -4.2088   2.6447  -3.5119   3.7307  -4.9128   3.7498   12.638   6.1186   11.915   5.8475 0.7229643 8.463501 
1 1 1   10   22   21 o   15.190   6.4282   1.5995   2.6440   2.0910   3.6988   1.0860   3.7808   16.822   7.3619   15.886   7.1651 0.9354343 10.27305 
1 1 1   10   22   22 o   17.397   7.0744   3.0826   3.0276  -1.4122   4.2154   7.8718   4.3512   14.233   6.7889   23.658   8.7900 -9.424520 11.10645 
1 1 1   10   22   23 o   14.803   6.3179   1.8359   2.5919  -0.5686   3.6706   4.2271   3.6604   13.619   6.4495   18.211   7.6264 -4.591629 9.987905 
1 1 1   10   22   24 o   15.692   6.7927   3.0594   3.0772   0.2212   4.3549   5.8897   4.3489   13.891   6.6969   18.157   7.9635 -4.266252 10.40511 
1 1 1   10   23    0 o   15.052   8.9823   2.1426   3.7467   2.1426   3.7467   2.1426   3.7467   15.052   8.9823   15.052   8.9823 0.000000 0.000000 
1 1 1   10   23    1 o   27.268   6.3762   6.3645   2.6795   6.1759   3.8071   6.5495   3.7719   26.729   8.2512   27.422   8.1612 -0.6930580 11.60550 
1 1 1   10   23    2 o   32.921   5.4886   9.0462   2.7358   7.2738   3.8507   10.853   3.8874   28.765   8.1567   35.448   7.2333 -6.683077 10.90196 
1 1 1   10   23    3 o   38.469   4.7125   12.119   2.7855   12.870   3.9583   11.382   3.9207   38.870   6.7328   36.338   7.1302 2.532417 9.806602 
1 1 1   10   23    4 f   50.693   3.8984   20.703   3.0775   19.220   4.1965   22.430   4.5267   48.144   5.6625   52.067   5.6295 -3.922852 7.984677 
1 1 1   10   23    5 o   36.954   4.9980   11.281   2.8242   13.927   4.0334   8.7363   3.9557   40.451   6.5798   31.353   8.0112 9.098341 10.36693 
1 1 1   10   23    6 o   19.189   6.9607   2.7158   2.7025   0.3104   3.8529   5.0455   3.7918   17.741   7.6397   24.476   8.2920 -6.734900 11.27482 
1 1 1   10   23    7 o   10.129   4.9676  -5.0659   2.6927  -3.7667   3.7483  -6.4513   3.8707   13.797   6.5289   12.449   6.0735 1.348382 8.917097 
1 1 1   10   23    8 o   14.693   6.4456  -0.3097   2.8504  -1.7159   4.1793   0.9134   3.8977   16.336   7.4336   18.413   7.7990 -2.077051 10.77419 
1 1 1   10   23    9 o   21.366   7.4976   3.7116   3.1099   6.2421   4.5538   1.4998   4.2573   26.509   9.0849   19.639   8.2247 6.869425 12.25485 
1 1 1   10   23   10 o   18.295   7.2519   1.9756   3.0969   0.3584   4.3961   3.5686   4.3633   18.548   8.0731   22.298   8.6767 -3.750166 11.85162 
1 1 1   10   23   11 o   36.589   6.7938   11.803   3.7574   11.866   5.0652   11.725   5.6030   35.259   9.0946   34.558   9.8523 0.7014847 13.40822 
1 1 1   10   23   12 o   15.621   6.7173   0.3673   2.9705  -0.1978   4.0826   1.0029   4.3303   17.236   7.6310   18.893   8.1171 -1.657513 11.14092 
1 1 1   10   23   13 o   27.127   6.5068   6.6092   2.7343   5.3756   3.8668   7.8429   3.8671   24.278   8.3698   28.744   8.1818 -4.466316 11.70452 
1 1 1   10   23   14 o   22.907   6.8776   4.7935   2.6697   11.610   3.8062  -1.8080   3.7457   35.610   7.0605   14.882   6.8695 20.72861 9.850910 
1 1 1   10   23   15 o   20.616   6.8839   3.8288   2.6138   3.6989   3.7081   3.9570   3.6851   20.989   8.0434   21.371   8.0585 -0.3823185 11.38577 
1 1 1   10   23   16 o   12.998   5.9299  -0.9322   2.6817   3.9421   3.7008  -6.3213   3.8913   20.958   8.0346   12.034   5.9160 8.923888 9.977644 
1 1 1   10   23   17 o   11.419   5.4447  -2.5352   2.7065   0.7677   3.7924  -5.9633   3.8636   16.577   7.3464   11.951   5.8793 4.626101 9.409332 
1 1 1   10   23   18 f   19.015   7.0207   3.5480   2.7680   7.7249   3.7982  -1.1828   4.0423   25.997   8.2733   14.890   6.9619 11.10721 10.81270 
1 1 1   10   23   19 o   15.630   6.5175   1.7806   2.6562   0.9520   3.6670   2.6952   3.8527   15.839   7.1074   17.847   7.6619 -2.008104 10.45086 
1 1 1   10   23   20 o   12.187   5.6584  -0.8174   2.5967  -1.8772   3.6179   0.3086   3.7293   13.211   6.2979   15.046   6.9123 -1.834831 9.351123 
1 1 1   10   23   21 o   15.337   6.4423   1.9032   2.6241  -1.3287   3.6786   5.2516   3.7444   13.494   6.4093   20.328   8.0001 -6.833852 10.25088 
1 1 1   10   23   22 o   9.9972   4.9077  -3.3607   2.6473  -1.3877   3.5754  -5.7549   3.9385   12.878   6.1720   11.204   5.5847 1.673754 8.323598 
1 1 1   10   23   23 o   12.985   5.8189   1.1085   2.4490   0.8962   3.4462   1.3251   3.4809   13.646   6.3957   14.015   6.5222 -0.3695536 9.134777 
1 1 1   10   24    0 o   13.312   8.5183   0.6024   3.9935   0.6024   3.9935   0.6024   3.9935   13.312   8.5183   13.312   8.5183 0.000000 0.000000 
1 1 1   10   24    1 o   20.308   7.3125   3.1566   2.9758   4.0498   4.1872   2.2450   4.2300   23.082   8.6137   20.644   8.3740 2.438349 12.01330 
1 1 1   10   24    2 o   26.420   7.5173   6.1784   3.2651   6.3009   4.6651   6.0607   4.5713   26.831   9.1953   26.417   9.1006 0.4135723 12.93736 
1 1 1   10   24    3 o   24.512   7.6603   5.2467   3.2701   2.2337   4.6570   8.1774   4.5930   21.206   8.7160   29.855   9.0336 -8.648699 12.55288 
1 1 1   10   24    4 o   16.397   7.2214  -0.3561   3.6099  -2.8018   4.8273   2.7471   5.4375   16.786   7.7663   22.763   9.3934 -5.976864 12.18811 
1 1 1   10   24    5 o   17.549   7.2167   1.3048   3.1949   0.3422   4.5435   2.2464   4.4935   18.891   8.2150   20.897   8.5723 -2.006088 11.87311 
1 1 1   10   24    6 o   16.874   6.9124   1.2389   2.9167   0.9944   4.1569   1.4759   4.0935   18.857   8.0232   19.308   8.0740 -0.4510880 11.38246 
1 1 1   10   24    7 o   23.815   7.1711   5.0181   2.8994   7.9973   4.1175   2.0882   4.0833   29.376   8.4685   19.983   8.1815 9.393208 11.77513 
1 1 1   10   24    8 o   13.893   6.2521  -0.9284   2.8606   2.2095   4.0762  -3.9736   4.0156   20.058   8.1889   14.117   6.7028 5.940836 10.58236 
1 1 1   10   24    9 o   37.667   5.1873   11.981   2.9850   9.0121   4.1840   15.057   4.2597   30.946   8.4015   41.333   6.8037 -10.38658 10.81089 
1 1 1   10   24   10 o   14.412   6.3956  -0.4413   2.8842   0.5736   4.0504  -1.4853   4.1081   17.927   7.7766   16.074   7.3357 1.853085 10.69056 
1 1 1   10   24   11 o   13.045   5.9765  -1.3726   2.7618  -2.7774   3.8988   0.0424   3.9129   14.539   6.8108   17.037   7.5099 -2.497099 10.13832 
1 1 1   10   24   12 o   21.486   7.0355   4.1410   2.7343   3.9308   3.8336   4.3586   3.9011   21.690   8.2102   22.394   8.3225 -0.7036076 11.69065 
1 1 1   10   24   13 o   17.372   6.8289   2.0724   2.7256  -0.1543   3.8052   4.4183   3.9058   16.372   7.3008   22.253   8.3162 -5.881861 11.06619 
1 1 1   10   24   14 o   14.821   6.3617   0.5886   2.6551  -1.0761   3.8025   2.1725   3.7091   15.325   7.0178   18.616   7.7270 -3.291346 10.43824 
1 1 1   10   24   15 o   12.155   5.6614  -1.5318   2.6321  -2.0741   3.7090  -0.9816   3.7357   14.067   6.6064   14.990   6.8981 -0.9229145 9.551368 
1 1 1   10   24   16 o   12.010   5.6142  -1.5045   2.6259   0.2569   3.6941  -3.3034   3.7334   15.738   7.0917   13.041   6.2652 2.696287 9.462786 
1 1 1   10   24   17 o   12.730   5.9048  -0.9987   2.8180  -3.4533   3.9213   1.6229   4.0524   13.059   6.3106   17.112   7.5882 -4.052725 9.869317 
1 1 1   10   24   18 o   23.829   7.4920   6.4837   3.1232   8.0383   4.3383   4.8110   4.4999   24.645   8.8348   20.209   8.4591 4.435690 12.23152 
1 1 1   10   24   19 o   12.258   5.7290  -0.9771   2.7324   1.8209   3.8825  -3.7230   3.8461   16.471   7.3577   12.408   6.0536 4.062656 9.527951 
1 1 1   10   24   20 o   16.436   6.8921   2.5734   2.9954   12.718   4.8569  -3.6541   3.8053   29.462   9.3531   12.207   5.9696 17.25494 11.09582 
1 1 1   10   24   21 o   8.1525   4.1269  -7.1149   2.6217 -11.9095   3.6865  -2.2083   3.7293   8.8323   4.5107   12.464   6.0538 -3.631745 7.549476 
1 1 1   10   24   22 o   14.580   6.3216   2.3428   2.6740   3.0714   3.5614   1.4012   4.0485   15.478   6.9699   14.256   6.7577 1.221659 9.708014 
1 1 1   10   25    0 o   31.538   9.0958   10.016   3.9041   10.016   3.9041   10.016   3.9041   31.538   9.0958   31.538   9.0958 0.000000 0.000000 
1 1 1   10   25    1 o   17.398   6.8440   1.8176   2.7393   3.0062   3.8826   0.6395   3.8655   20.910   8.1710   17.855   7.6701 3.054882 11.20691 
1 1 1   10   25    2 o   25.317   7.1593   5.7429   2.9707   8.4693   4.2887   3.2282   4.1189   30.068   8.6349   21.487   8.4103 8.580532 12.05382 
1 1 1   10   25    3 o   29.731   6.6889   7.8398   3.0451   2.2863   4.3035   13.409   4.3095   20.462   8.3909   38.714   7.3623 -18.25232 11.16294 
1 1 1   10   25    4 o   15.299   6.7196  -0.1940   3.1062   3.6377   4.4915  -3.7068   4.3005   22.378   8.7755   14.895   7.0319 7.482336 11.24526 
1 1 1   10   25    5 o   24.350   7.3764   5.3396   3.0612   4.0643   4.3253   6.6194   4.3330   22.745   8.6944   26.696   8.8618 -3.950678 12.41467 
1 1 1   10   25    6 o   11.635   5.5855  -3.7143   2.9556  -9.7353   4.2917   1.7178   4.0764   11.751   5.8529   19.303   8.0633 -7.551705 9.963638 
1 1 1   10   25    7 o   14.035   6.3509  -1.0299   2.9989  -3.7364   4.3046   1.5224   4.1803   14.775   6.9929   19.162   8.0945 -4.387330 10.69681 
1 1 1   10   25    8 o   10.815   5.2487  -4.1848   2.7887   1.7596   3.9693  -9.9793   3.9189   19.054   7.9579   10.813   5.4167 8.241552 9.626435 
1 1 1   10   25    9 o   21.176   7.1403   3.9538   2.8116   6.8525   3.9530   0.9861   3.9998   26.696   8.4334   18.110   7.7911 8.586563 11.48140 
1 1 1   10   25   10 o   18.441   6.9860   2.6064   2.7769   4.1260   3.8738   1.0001   3.9828   21.914   8.2625   17.959   7.7509 3.954895 11.32893 
1 1 1   10   25   11 o   10.581   5.1512  -4.1894   2.7436  -0.6314   3.8897  -7.7123   3.8705   16.032   7.2458   11.477   5.6894 4.555283 9.212489 
1 1 1   10   25   12 o   24.975   6.7891   5.9119   2.7301   0.1119   3.8157   11.996   3.9079   16.437   7.3215   35.471   7.2650 -19.03393 10.31435 
1 1 1   10   25   13 o   22.901   7.0302   5.1486   2.7684   15.614   3.9567  -4.8886   3.8749   40.980   6.3584   12.622   6.1395 28.35879 8.838725 
1 1 1   10   25   14 o   12.655   5.8360  -1.0283   2.6938  -4.1874   3.7411   2.3735   3.8821   12.563   6.0930   18.277   7.7641 -5.713636 9.869419 
1 1 1   10   25   15 o   13.890   6.1566   0.3265   2.6645   0.2970   3.6832   0.3589   3.8593   15.513   7.0271   15.811   7.1744 -0.2979717 10.04249 
1 1 1   10   25   16 o   17.204   6.7304   2.7861   2.6366  -1.2048   3.6679   7.0534   3.7928   13.957   6.5594   24.039   8.2892 -10.08222 10.57059 
1 1 1   10   25   17 o   21.068   6.9254   4.9170   2.6484   6.3547   3.7289   3.4537   3.7619   22.439   8.1709   18.285   7.6990 4.154121 11.22672 
1 1 1   10   25   18 o   13.859   6.1690   0.6965   2.7043  -2.8105   3.8555   4.0924   3.7940   12.840   6.2171   18.778   7.8063 -5.937961 9.979569 
1 1 1   10   25   19 o   14.701   6.3794   1.5492   2.7279   1.6327   3.8187   1.4623   3.8983   15.730   7.1373   15.639   7.1404 0.9165764E-01 10.09589 
1 1 1   10   25   20 o   15.229   6.6975   2.3021   3.0950   1.3385   4.1953   3.4528   4.5846   14.939   7.0193   16.621   7.6462 -1.681704 10.37955 
1 1 1   10   25   21 o   12.338   5.7009   0.5855   2.5889  -1.4853   3.5508   2.9358   3.7828   11.913   5.8132   15.107   6.9481 -3.193584 9.059220 
1 1 1   10   26    0 o   16.268   9.3999   3.1576   3.8829   3.1576   3.8829   3.1576   3.8829   16.268   9.3999   16.268   9.3999 0.000000 0.000000 
1 1 1   10   26    1 o   10.843   5.2404  -3.8117   2.7065  -5.4674   3.8203  -2.1433   3.8349   12.636   6.1351   14.912   6.9072 -2.275896 9.238465 
1 1 1   10   26    2 o   17.168   6.8522   1.7506   2.7833   3.1306   4.0034   0.4597   3.8722   20.886   8.2560   17.414   7.5783 3.471796 11.20676 
1 1 1   10   26    3 o   12.836   5.9303  -1.6843   2.8003  -5.0283   3.9987   1.5337   3.9227   13.269   6.4023   18.696   7.8663 -5.426166 10.14237 
1 1 1   10   26    4 o   18.036   7.0526   2.1997   2.8941   4.9991   4.2590  -0.2019   3.9449   23.709   8.7165   16.813   7.4693 6.895929 11.47899 
1 1 1   10   26    5 o   14.140   6.2951  -0.4473   2.8168  -2.3944   3.9741   1.5184   3.9930   14.925   6.9535   18.693   7.9045 -3.767476 10.52771 
1 1 1   10   26    6 o   23.747   7.4565   5.2391   3.0947   1.3665   4.6402   8.3415   4.1532   19.371   8.3632   29.131   8.5365 -9.760189 11.95052 
1 1 1   10   26    7 o   19.865   7.2548   3.3228   2.9428   3.1978   4.3518   3.4281   3.9945   20.963   8.4972   20.935   8.2557 0.2762794E-01 11.84735 
1 1 1   10   26    8 o   11.883   5.6298  -2.6088   2.8026  -4.8273   3.9879  -0.4439   3.9395   13.173   6.3650   16.297   7.3352 -3.123807 9.711786 
1 1 1   10   26    9 o   16.559   6.8005   1.5469   2.8320   4.8449   3.9977  -1.7757   4.0126   22.678   8.4254   15.185   7.0445 7.493503 10.98240 
1 1 1   10   26   10 o   13.207   6.0212  -0.8952   2.7590   0.2320   3.8638  -2.0679   3.9411   16.520   7.3625   14.683   6.8683 1.836754 10.06875 
1 1 1   10   26   11 o   18.376   6.9492   2.9489   2.7448   1.8915   3.8395   4.0543   3.9255   17.949   7.6760   20.778   8.1870 -2.828558 11.22271 
1 1 1   10   26   12 o   11.567   5.5335  -2.6885   2.8453  -0.8510   3.8762  -4.8354   4.1898   15.062   6.9652   13.031   6.3489 2.030701 9.424543 
1 1 1   10   26   13 o   13.389   6.2248  -1.0871   3.1588  -2.8464   4.4844   0.6455   4.4503   14.396   6.9031   16.768   7.6457 -2.371279 10.30092 
1 1 1   10   26   14 o   28.194   7.2471   8.5959   3.2239   10.170   4.5753   7.0439   4.5434   27.951   9.0976   23.256   8.9057 4.694628 12.73093 
1 1 1   10   26   15 o   25.833   7.3783   7.5789   3.1395   9.1499   4.4859   6.0707   4.3954   25.797   9.0083   21.505   8.6016 4.291725 12.45536 
1 1 1   10   26   16 o   12.460   5.8241  -0.8860   2.8256  -0.2453   3.9894  -1.5309   4.0027   14.715   6.8920   13.848   6.6078 0.8678093 9.547879 
1 1 1   10   26   17 o   14.068   6.2746   0.8645   2.8119   2.2641   3.9417  -0.5857   4.0125   16.555   7.4033   14.303   6.7643 2.252187 10.02822 
1 1 1   10   26   18 o   13.535   6.0655   0.8348   2.6609  -1.6623   3.8735   3.0661   3.6616   13.094   6.3135   16.741   7.3258 -3.647450 9.670935 
1 1 1   10   26   19 o   13.414   5.9843   1.3191   2.5596   2.8662   3.5883  -0.2836   3.6521   15.544   6.9982   13.064   6.2550 2.479846 9.386177 
1 1 1   10   26   20 o   9.7132   4.7897  -2.7705   2.6159  -7.4342   3.6726   2.0320   3.7269   9.5446   4.8374   14.092   6.6195 -4.547315 8.198687 
1 1 1   10   27    0 o   15.297   9.1967   2.6204   3.9847   2.6204   3.9847   2.6204   3.9847   15.297   9.1967   15.297   9.1967 0.000000 0.000000 
1 1 1   10   27    1 o   14.140   6.2861  -0.2965   2.7989  -6.1998   3.9110   5.9007   4.0072   12.279   6.0148   24.615   8.5188 -12.33645 10.42817 
1 1 1   10   27    2 o   15.631   6.6200   0.8678   2.8080   0.7619   3.9858   0.9723   3.9566   17.567   7.6661   17.746   7.6921 -0.1788445 10.85992 
1 1 1   10   27    3 o   16.191   6.7482   1.2294   2.8455   1.0732   3.9344   1.4008   4.1204   17.791   7.6909   18.418   7.9156 -0.6279430 11.03662 
1 1 1   10   27    4 o   26.066   6.9591   6.4244   2.9000   9.5708   4.1357   3.3808   4.0675   30.865   8.3414   20.693   8.2753 10.17233 11.74989 
1 1 1   10   27    5 o   15.297   6.5719   0.6549   2.8385   5.4182   4.0446  -3.9680   3.9845   23.543   8.5188   13.585   6.5122 9.957799 10.72284 
1 1 1   10   27    6 o   29.178   7.8736   8.5203   3.6881   14.820   5.1935   2.1113   5.2382   37.717   8.9160   20.138   8.7881 17.57954 12.51902 
1 1 1   10   27    7 o   10.994   5.3647  -4.4922   3.0243  -5.1862   4.2857  -3.8038   4.2684   13.337   6.4807   14.080   6.7471 -0.7430334 9.355345 
1 1 1   10   27    8 o   13.357   6.1891  -1.3364   3.0829  -0.5022   4.4020  -2.1394   4.3191   16.409   7.5280   15.069   7.0933 1.340223 10.34340 
1 1 1   10   27    9 o   16.088   6.8365   1.4127   3.0118  -0.6970   4.2541   3.5329   4.2647   15.817   7.3083   19.939   8.2818 -4.122508 11.04528 
1 1 1   10   27   10 o   11.531   5.5577  -3.1353   2.9951 -10.1391   4.2475   3.7910   4.2240   10.895   5.4825   19.898   8.2514 -9.003428 9.906717 
1 1 1   10   27   11 o   17.315   7.0493   2.5939   3.0104   8.3591   4.3506  -2.7022   4.1698   25.822   8.8790   13.896   6.6615 11.92528 11.10008 
1 1 1   10   27   12 o   15.759   6.7653   1.6456   3.0038   4.1592   4.2340  -0.9015   4.2620   19.545   8.1948   14.977   7.0487 4.568254 10.80920 
1 1 1   10   27   13 o   16.260   6.8152   2.2392   2.9269   5.8442   4.1775  -1.2367   4.1021   21.251   8.4230   14.318   6.7914 6.932738 10.81988 
1 1 1   10   27   14 o   13.383   6.1160   0.0295   2.8685  -1.3169   3.9731   1.4954   4.1458   13.921   6.6262   16.220   7.3895 -2.298243 9.925278 
1 1 1   10   27   15 o   11.882   5.6443  -1.5068   2.8539  -1.9653   4.0387  -1.0496   4.0332   13.463   6.4802   14.025   6.6758 -0.5621939 9.303685 
1 1 1   10   27   16 f   12.131   5.6471  -0.5140   2.6132  -3.2105   3.6713   2.2551   3.7204   12.026   5.8776   16.084   7.1925 -4.057768 9.288622 
1 1 1   10   27   17 o   11.762   5.5233  -0.5097   2.5911  -4.1944   3.5972   3.4640   3.7356   11.084   5.4929   16.558   7.3167 -5.474076 9.149072 
1 1 1   10   27   18 o   11.070   5.2873  -0.8307   2.5757  -0.9513   3.6460  -0.7105   3.6392   12.327   5.9868   12.460   6.0349 -0.1330862 8.500671 
1 1 1   10   27   19 o   13.198   5.9480   1.7341   2.5998   3.5184   3.6451  -0.1135   3.7091   15.010   6.8726   12.444   6.0426 2.565471 9.151241 
1 1 1   10   28    0 o   10.071   7.2435  -7.6087   5.5969  -7.6087   5.5969  -7.6087   5.5969   10.071   7.2435   10.071   7.2435 0.000000 0.000000 
1 1 1   10   28    1 o   14.725   6.9057  -1.9883   4.0286   0.3210   5.7863  -4.1609   5.6123   18.796   8.6259   15.915   7.6549 2.880686 11.53273 
1 1 1   10   28    2 o   24.198   8.5478   6.2926   4.0471   5.8914   5.7696   6.6813   5.6783   23.483   9.6818   24.337   9.7622 -0.8536777 13.74910 
1 1 1   10   28    3 o   17.327   7.1481   2.0859   3.1475   1.2336   4.4826   2.9149   4.4207   17.935   7.9654   19.573   8.2987 -1.638065 11.50285 
1 1 1   10   28    4 o   15.084   6.6628   0.4488   3.0946   0.9917   4.3268  -0.1196   4.4278   17.411   7.7733   16.583   7.5861 0.8281803 10.86156 
1 1 1   10   28    5 o   23.971   7.4659   6.0243   3.1090   5.9159   4.3134   6.1415   4.4853   22.994   8.7077   23.259   8.8628 -0.2654839 12.42473 
1 1 1   10   28    6 o   17.441   7.1898   2.3783   3.1812   5.7274   4.3068  -1.6427   4.7192   22.488   8.6555   15.627   7.3738 6.861042 11.37060 
1 1 1   10   28    7 o   17.893   7.2273   2.8264   3.1357  -0.3492   4.3985   6.1085   4.4716   15.941   7.3886   22.662   8.7934 -6.720705 11.48544 
1 1 1   10   28    8 o   14.903   6.6248   0.6676   3.1080  -1.3607   4.3256   2.8322   4.4687   14.943   7.0536   18.526   8.1001 -3.582858 10.74081 
1 1 1   10   28    9 f   17.077   7.0619   2.5622   3.0820   4.1104   4.3348   0.9796   4.3828   19.522   8.2445   16.538   7.5587 2.984093 11.18509 
1 1 1   10   28   10 o   13.641   6.2665  -0.2120   3.0646   4.7292   4.2597  -5.5135   4.4123   19.907   8.2733   12.530   6.1867 7.376454 10.33068 
1 1 1   10   28   11 o   17.620   7.2518   3.1963   3.2295   5.9709   4.7061   0.7269   4.4398   20.870   8.6867   15.942   7.4007 4.928319 11.41176 
1 1 1   10   28   12 o   12.295   5.8198  -1.3430   2.9828   1.7731   4.2453  -4.3810   4.1918   16.412   7.4772   12.471   6.1327 3.940682 9.670514 
1 1 1   10   28   13 o   16.434   6.9112   2.6433   3.0255   4.7755   4.2785   0.5108   4.2788   19.110   8.1357   15.282   7.1511 3.827953 10.83176 
1 1 1   10   28   14 o   18.143   7.1181   3.9728   2.9563   4.7628   4.2323   3.2202   4.1311   18.696   8.0285   17.134   7.6259 1.562689 11.07301 
1 1 1   10   28   15 o   10.569   5.2158  -3.7514   3.1233  -4.2282   4.4380  -3.2836   4.3962   12.262   6.0810   12.610   6.2165 -0.3482246 8.696215 
1 1 1   10   28   16 o   14.790   6.6027   2.4957   3.1214   0.4909   4.4125   4.5038   4.4161   13.833   6.6868   16.494   7.5571 -2.661436 10.09069 
1 1 1   10   28   17 o   15.917   7.0364   4.2598   3.4582   6.2757   4.4093   1.0379   5.5744   17.019   7.7011   13.874   6.8688 3.145468 10.31928 
1 1 1   10   29    0 o   17.562   9.9107   4.8773   4.1744   4.8773   4.1744   4.8773   4.1744   17.562   9.9107   17.562   9.9107 0.000000 0.000000 
1 1 1   10   29    1 o   19.959   7.2408   4.2158   2.9245  -1.9025   4.1400   10.310   4.1317   14.317   6.8002   29.516   8.4751 -15.19868 10.86605 
1 1 1   10   29    2 o   10.077   4.9739  -4.7462   2.8441   0.0004   3.9864  -9.6668   4.0589   15.463   7.1195   10.569   5.3237 4.894506 8.889832 
1 1 1   10   29    3 o   17.849   7.0172   3.0765   2.8782   1.9578   4.0606   4.2061   4.0804   17.237   7.6221   19.747   8.1418 -2.509377 11.15282 
1 1 1   10   29    4 o   11.213   5.4217  -2.9973   2.9049   1.7882   4.1092  -7.7782   4.1071   17.020   7.5885   11.244   5.6200 5.775667 9.442978 
1 1 1   10   29    5 o   11.774   5.6133  -2.0593   2.8758  -5.8490   4.0317   1.8658   4.1031   11.835   5.8562   16.963   7.5717 -5.128044 9.572191 
1 1 1   10   29    6 o   16.293   6.8394   2.2147   2.9546   1.8564   4.1564   2.5807   4.2009   16.849   7.5631   17.563   7.7600 -0.7140045 10.83596 
1 1 1   10   29    7 o   13.032   6.0617  -0.6591   3.0017   1.5486   4.1950  -2.9752   4.2968   16.444   7.4688   13.477   6.5347 2.966655 9.923956 
1 1 1   10   29    8 o   20.592   7.5318   5.1294   3.1735   1.3032   4.4734   9.0061   4.5029   16.308   7.5205   24.913   8.9920 -8.604954 11.72235 
1 1 1   10   29    9 o   17.040   7.2512   2.9039   3.3963   2.2743   4.7998   3.5353   4.8064   17.077   7.8441   18.090   8.1258 -1.013666 11.29418 
1 1 1   10   29   10 o   13.737   6.3969  -0.1700   3.3572   1.1222   4.7576  -1.4516   4.7379   16.073   7.5272   14.499   6.9889 1.573569 10.27150 
1 1 1   10   29   11 o   11.572   5.6501  -3.2032   3.3684  -1.8990   4.9233  -4.3510   4.6185   14.302   6.9485   12.846   6.3400 1.455707 9.406256 
1 1 1   10   29   12 o   12.377   5.8443  -0.8064   2.9735  -1.9010   4.2192   0.2736   4.1912   13.334   6.4676   14.615   6.9121 -1.280560 9.466114 
1 1 1   10   29   13 o   15.473   6.7567   2.5658   3.1007   4.0065   4.4180   1.1673   4.3529   16.974   7.6919   14.838   7.0257 2.136070 10.41759 
1 1 1   10   29   14 o   9.9284   4.9158  -3.4358   2.8571  -1.8249   4.0147  -5.0890   4.0669   12.292   6.0360   10.999   5.5111 1.292964 8.173457 
1 1 1   10   29   15 o   11.033   5.3364  -1.0255   2.8203  -2.6767   3.9550   0.6830   4.0229   11.466   5.6953   13.148   6.3627 -1.682612 8.539384 
1 1 1   10   30    0 o   9.1353   6.5854  -5.8466   4.7449  -5.8466   4.7449  -5.8466   4.7449   9.1353   6.5854   9.1353   6.5854 0.000000 0.000000 
1 1 1   10   30    1 o   13.956   6.5614  -0.6284   3.6755   4.8651   5.2395  -5.9507   5.1573   19.391   8.6118   13.149   6.5270 6.241499 10.80582 
1 1 1   10   30    2 o   13.976   6.5517  -0.4781   3.6190   1.5375   5.1298  -2.4754   5.1064   16.812   7.8547   14.530   7.0632 2.282211 10.56343 
1 1 1   10   30    3 f   17.563   7.5448   3.2365   3.7405   8.1694   5.2272  -1.9400   5.3548   22.489   9.2378   14.986   7.2732 7.502640 11.75735 
1 1 1   10   30    4 o   14.149   6.5381   0.1689   3.4058  -0.9028   4.7995   1.2561   4.8338   14.940   7.1579   16.310   7.6216 -1.369293 10.45589 
1 1 1   10   30    5 o   10.865   5.3288  -3.7200   3.0992  -7.4606   4.2466   0.5424   4.5332   11.232   5.6284   15.524   7.2948 -4.292209 9.213789 
1 1 1   10   30    6 o   14.988   6.6675   1.4374   3.1537   2.9091   4.4401  -0.0610   4.4801   17.196   7.7594   15.008   7.1124 2.187958 10.52593 
1 1 1   10   30    7 o   16.163   6.8297   2.5672   2.9774   5.1432   4.2281   0.0332   4.1935   19.297   8.1455   14.719   6.9471 4.577654 10.70570 
1 1 1   10   30    8 o   13.518   6.1478   0.5330   2.8535   0.9480   4.0170   0.1102   4.0541   15.098   7.0193   14.516   6.8450 0.5819769 9.804290 
1 1 1   10   30    9 o   11.850   5.6331  -1.1845   2.8528  -2.3462   4.0039   0.0133   4.0657   12.800   6.2298   14.282   6.7705 -1.481973 9.200591 
1 1 1   10   30   10 o   16.111   6.7380   2.9954   2.8517   4.0233   4.0221   1.9565   4.0438   17.206   7.5981   15.368   7.1094 1.838545 10.40553 
1 1 1   10   30   11 o   12.601   5.9285   0.0778   3.0106  -2.9619   4.5597   2.4269   4.0085   12.519   6.2006   15.155   7.0343 -2.636279 9.377037 
1 1 1   10   30   12 o   14.531   6.3603   2.5731   2.7617   2.3340   3.8845   2.8175   3.9271   14.445   6.7768   14.815   6.9054 -0.3693781 9.675164 
1 1 1   10   30   13 f   13.930   6.2031   2.4227   2.7370   0.3945   3.8522   4.4902   3.8893   12.735   6.1778   15.618   7.1314 -2.882638 9.435128 
1 1 1   10   31    0 o   9.6482   6.7929  -2.2815   4.0355  -2.2815   4.0355  -2.2815   4.0355   9.6482   6.7929   9.6482   6.7929 0.000000 0.000000 
1 1 1   10   31    1 o   12.514   5.8624  -0.5272   2.8893  -1.7365   4.0642   0.7086   4.1082   13.293   6.4236   14.911   6.9869 -1.618068 9.491018 
1 1 1   10   31    2 f   14.760   6.4810   1.6841   2.8879  -3.9935   4.0587   7.5062   4.1100   12.114   5.9720   22.020   8.4606 -9.905729 10.35596 
1 1 1   10   31    3 o   8.4853   4.3135  -9.0936   3.0757 -10.2440   4.1057  -7.6225   4.6429   9.9670   5.0582   11.505   5.7820 -1.538314 7.682266 
1 1 1   10   31    4 o   13.381   6.1584   0.4053   2.9787   5.4533   4.2105  -4.6525   4.2146   19.036   8.0861   11.957   5.9292 7.078723 10.02700 
1 1 1   10   31    5 o   11.083   5.4157  -2.8676   3.1139  -3.9916   4.3990  -1.7387   4.4086   12.386   6.1266   13.437   6.5392 -1.051579 8.960822 
1 1 1   10   31    6 o   12.513   5.9300  -0.5669   3.1137   2.0644   4.4345  -3.1258   4.3731   15.546   7.2762   12.593   6.2065 2.952766 9.563679 
1 1 1   10   31    7 f   16.911   7.0156   3.8764   3.0553   3.4850   4.4222   4.2339   4.2261   16.207   7.4752   16.854   7.5907 -0.6467819 10.65356 
1 1 1   10   31    8 o   13.871   6.3224   1.6571   3.0394   6.1795   4.3298  -2.7365   4.2676   18.002   7.9190   12.152   6.0154 5.849367 9.944565 
1 1 1   10   31    9 o   15.436   6.7176   3.4329   3.0429   7.3000   4.3544  -0.2576   4.2539   18.366   8.0138   12.956   6.3309 5.410091 10.21281 
1 1 1   10   31   10 f   12.325   5.8390   0.6135   3.0153   3.0967   4.2550  -1.8916   4.2737   14.472   6.8794   11.940   5.9293 2.531764 9.082010 
1 1 1   10   31   11 o   9.8228   4.8955  -3.2975   3.0220  -3.2728   4.6235  -3.3159   3.9929   11.483   5.7709   10.946   5.4811 0.5377893 7.958978 
1 1 1   10   32    0 o   9.7057   6.8344  -1.3420   4.0898  -1.3420   4.0898  -1.3420   4.0898   9.7057   6.8344   9.7057   6.8344 0.000000 0.000000 
1 1 1   10   32    1 o   11.406   5.4916  -1.0128   2.9048  -1.0611   4.0505  -0.9615   4.1679   12.622   6.1696   12.768   6.2450 -0.1467209 8.778619 
1 1 1   10   32    2 o   9.9579   4.9290  -3.2674   2.8650  -6.4913   4.0490  -0.0347   4.0545   10.418   5.2564   13.108   6.3538 -2.690027 8.246289 
1 1 1   10   32    3 o   11.577   5.5938  -0.9237   3.0793   2.4304   4.6835  -3.4776   4.0868   14.613   7.0194   11.442   5.7012 3.170514 9.042965 
1 1 1   10   32    4 o   11.043   5.3549  -1.2214   2.8860  -3.4638   4.0614   1.0658   4.1017   11.320   5.6471   13.496   6.5046 -2.175432 8.613929 
1 1 1   10   32    5 o   9.0684   4.5560  -4.8720   2.8723  -4.3554   4.1101  -5.3652   4.0157   10.937   5.4887   10.498   5.2890 0.4390850 7.622342 
1 1 1   10   32    6 o   9.4192   4.7026  -3.7481   2.8416  -0.4336   3.9973  -7.1345   4.0404   12.291   6.0331   9.8965   5.0219 2.394562 7.849680 
1 1 1   10   32    7 o   9.5846   4.7729  -3.2284   2.8483  -4.6767   4.0228  -1.7725   4.0333   10.493   5.2875   11.556   5.7421 -1.062469 7.805748 
1 1 1   10   32    8 o   12.177   5.7379   1.0337   2.8393  -0.0060   3.9486   2.1469   4.0857   12.160   5.9744   13.336   6.4434 -1.175376 8.787004 
1 1 1   10   33    0 o   7.2958   5.3993 -10.5329   4.9598 -10.5329   4.9598 -10.5329   4.9598   7.2958   5.3993   7.2958   5.3993 0.000000 0.000000 
1 1 1   11    0    1 o  773.706   4.2720  4698.88   51.866  4698.88   51.866  4698.88   51.866  773.706   4.2720  773.706   4.2720 0.000000 0.000000 
1 1 1   11    0    2 o  109.440   2.0682   94.085   3.5492   94.085   3.5492   94.085   3.5492  109.440   2.0682  109.440   2.0682 0.000000 0.000000 
1 1 1   11    0    3 o  889.620   5.1723  6213.07   72.204  6213.07   72.204  6213.07   72.204  889.620   5.1723  889.620   5.1723 0.000000 0.000000 
1 1 1   11    0    4 o  234.622   3.3499  432.268   12.328  432.268   12.328  432.268   12.328  234.622   3.3499  234.622   3.3499 0.000000 0.000000 
1 1 1   11    0    5 o  513.313   3.5437  2068.15   28.543  2068.15   28.543  2068.15   28.543  513.313   3.5437  513.313   3.5437 0.000000 0.000000 
1 1 1   11    0    6 o  105.372   2.4720   87.274   4.0826   87.274   4.0826   87.274   4.0826  105.372   2.4720  105.372   2.4720 0.000000 0.000000 
1 1 1   11    0    7 o  450.810   3.2369  1595.15   22.897  1595.15   22.897  1595.15   22.897  450.810   3.2369  450.810   3.2369 0.000000 0.000000 
1 1 1   11    0    8 o   75.254   2.8874   44.639   3.3985   44.639   3.3985   44.639   3.3985   75.254   2.8874   75.254   2.8874 0.000000 0.000000 
1 1 1   11    0    9 o  362.254   3.4567  1030.21   19.647  1030.21   19.647  1030.21   19.647  362.254   3.4567  362.254   3.4567 0.000000 0.000000 
1 1 1   11    0   10 o  121.072   2.0658  115.129   3.9225  115.129   3.9225  115.129   3.9225  121.072   2.0658  121.072   2.0658 0.000000 0.000000 
1 1 1   11    0   11 o  389.706   2.5501  1192.01   15.594  1192.01   15.594  1192.01   15.594  389.706   2.5501  389.706   2.5501 0.000000 0.000000 
1 1 1   11    0   12 o  200.980   1.9916  317.082   6.2800  317.082   6.2800  317.082   6.2800  200.980   1.9916  200.980   1.9916 0.000000 0.000000 
1 1 1   11    0   13 o   14.804   7.5861   2.5232   2.2346   2.5232   2.2346   2.5232   2.2346   14.804   7.5861   14.804   7.5861 0.000000 0.000000 
1 1 1   11    0   14 f  145.246   1.9704  165.670   4.4893  165.670   4.4893  165.670   4.4893  145.246   1.9704  145.246   1.9704 0.000000 0.000000 
1 1 1   11    0   15 o  100.002   2.1608   78.614   3.3875   78.614   3.3875   78.614   3.3875  100.002   2.1608  100.002   2.1608 0.000000 0.000000 
1 1 1   11    0   16 o  100.650   2.2673   79.661   3.5771   79.661   3.5771   79.661   3.5771  100.650   2.2673  100.650   2.2673 0.000000 0.000000 
1 1 1   11    0   17 o   16.209   8.0572   3.0620   2.4799   3.0620   2.4799   3.0620   2.4799   16.209   8.0572   16.209   8.0572 0.000000 0.000000 
1 1 1   11    0   18 o   50.211   3.6847   20.150   2.8667   20.150   2.8667   20.150   2.8667   50.211   3.6847   50.211   3.6847 0.000000 0.000000 
1 1 1   11    0   19 o  123.904   2.3059  120.737   4.4801  120.737   4.4801  120.737   4.4801  123.904   2.3059  123.904   2.3059 0.000000 0.000000 
1 1 1   11    0   20 o   56.884   3.3280   25.727   2.9473   25.727   2.9473   25.727   2.9473   56.884   3.3280   56.884   3.3280 0.000000 0.000000 
1 1 1   11    0   21 o   73.484   3.1250   42.740   3.5888   42.740   3.5888   42.740   3.5888   73.484   3.1250   73.484   3.1250 0.000000 0.000000 
1 1 1   11    0   22 o   74.929   2.6335   44.351   3.0880   44.351   3.0880   44.351   3.0880   74.929   2.6335   74.929   2.6335 0.000000 0.000000 
1 1 1   11    0   23 o   73.696   2.5305   42.919   2.9187   42.919   2.9187   42.919   2.9187   73.696   2.5305   73.696   2.5305 0.000000 0.000000 
1 1 1   11    0   24 o  105.133   2.2902   87.166   3.7744   87.166   3.7744   87.166   3.7744  105.133   2.2902  105.133   2.2902 0.000000 0.000000 
1 1 1   11    0   25 o   29.301   5.7321   7.6053   2.3474   7.6053   2.3474   7.6053   2.3474   29.301   5.7321   29.301   5.7321 0.000000 0.000000 
1 1 1   11    0   26 o   13.635   7.3984   2.2098   2.2243   2.2098   2.2243   2.2098   2.2243   13.635   7.3984   13.635   7.3984 0.000000 0.000000 
1 1 1   11    0   27 o   7.5058   5.2255  -1.8642   2.2013  -1.8642   2.2013  -1.8642   2.2013   7.5058   5.2255   7.5058   5.2255 0.000000 0.000000 
1 1 1   11    0   28 o   14.859   8.1333   2.8141   2.7122   2.8141   2.7122   2.8141   2.7122   14.859   8.1333   14.859   8.1333 0.000000 0.000000 
1 1 1   11    0   29 o   15.914   7.5993   3.2580   2.1745   3.2580   2.1745   3.2580   2.1745   15.914   7.5993   15.914   7.5993 0.000000 0.000000 
1 1 1   11    0   30 o   7.6567   5.2460  -1.0024   2.0111  -1.0024   2.0111  -1.0024   2.0111   7.6567   5.2460   7.6567   5.2460 0.000000 0.000000 
1 1 1   11    0   31 o   10.921   6.4536   1.4023   1.8996   1.4023   1.8996   1.4023   1.8996   10.921   6.4536   10.921   6.4536 0.000000 0.000000 
1 1 1   11    0   32 o   9.4961   5.8318   0.9514   1.6771   0.9514   1.6771   0.9514   1.6771   9.4961   5.8318   9.4961   5.8318 0.000000 0.000000 
1 1 1   11    1    0 o  187.072   2.0981  274.720   6.1578  274.720   6.1578  274.720   6.1578  187.072   2.0981  187.072   2.0981 0.000000 0.000000 
1 1 1   11    1    1 o  439.284   1.9407  1514.32   13.379  1501.66   18.784  1527.36   19.060  437.417   2.7365  441.144   2.7531 -3.726868 3.881759 
1 1 1   11    1    2 o  769.003   3.0055  4641.46   36.270  4635.31   51.213  4647.64   51.374  768.386   4.2471  769.406   4.2548 -1.019958 6.011774 
1 1 1   11    1    3 o  169.445   1.7559  225.306   4.6692  228.101   6.0533  221.202   7.3366  170.487   2.2625  167.882   2.7847 2.604797 3.588017 
1 1 1   11    1    4 o  646.532   2.9988  3280.73   30.426  3265.42   42.822  3296.33   43.237  644.938   4.2310  647.982   4.2520 -3.043701 5.998404 
1 1 1   11    1    5 o  127.301   1.9119  127.171   3.8194  136.315   6.7699  122.901   4.6259  131.785   3.2735  125.143   2.3555 6.642776 4.032858 
1 1 1   11    1    6 o   66.832   2.1894   35.089   2.2932   39.287   3.3045   31.190   3.1849   70.687   2.9856   62.955   3.2346 7.732574 4.401834 
1 1 1   11    1    7 o  162.219   1.6284  206.498   4.1455  204.760   5.8458  208.257   5.8798  161.528   2.3061  162.902   2.3000 -1.373459 3.257033 
1 1 1   11    1    8 o  638.148   2.9684  3196.33   29.727  3205.71   42.165  3187.06   41.917  638.985   4.2049  637.125   4.1924 1.859802 5.937749 
1 1 1   11    1    9 o  153.405   1.7714  184.676   4.2644  183.743   6.6385  185.332   5.5643  153.003   2.7648  153.670   2.3073 -0.6675262 3.601104 
1 1 1   11    1   10 o  408.407   1.9879  1309.00   12.741  1299.34   17.907  1318.91   18.132  406.861   2.8046  409.913   2.8187 -3.051605 3.976302 
1 1 1   11    1   11 o  400.584   2.0388  1259.39   12.817  1259.31   17.460  1259.48   18.873  400.534   2.7778  400.547   3.0025 -0.1318359E-01 4.090421 
1 1 1   11    1   12 o  160.161   1.3946  201.303   3.5051  201.126   4.9571  201.480   4.9568  160.080   1.9733  160.221   1.9714 -0.1408844 2.789307 
1 1 1   11    1   13 o  138.416   1.4081  150.362   3.0587  144.817   4.2840  156.128   4.3686  135.827   2.0098  141.032   1.9739 -5.205597 2.817017 
1 1 1   11    1   14 o  222.992   1.5937  390.315   5.5771  393.828   8.2469  387.355   7.5709  223.945   2.3466  222.109   2.1721 1.835251 3.197590 
1 1 1   11    1   15 o   76.608   1.7608   46.079   2.1169   48.904   3.1219   43.675   2.8801   78.855   2.5261   74.520   2.4662 4.334755 3.530312 
1 1 1   11    1   16 o  102.685   1.5897   82.788   2.5617   83.695   3.6543   81.912   3.5920  103.213   2.2561  102.108   2.2417 1.104584 3.180454 
1 1 1   11    1   17 o   90.301   1.7352   64.043   2.4590   62.640   3.3663   65.647   3.6005   89.236   2.4060   91.344   2.5141 -2.108444 3.479929 
1 1 1   11    1   18 o   45.839   2.7657   16.595   1.9803   19.538   2.8276   13.763   2.7742   49.641   3.6554   41.512   4.3217 8.128235 5.660288 
1 1 1   11    1   19 o   60.517   2.2406   28.844   2.1242   28.018   2.9919   29.683   3.0164   59.526   3.2147   61.283   3.1470 -1.757465 4.498695 
1 1 1   11    1   20 o   48.249   2.5583   18.384   1.9301   15.068   2.5918   22.513   2.8922   43.478   3.8379   53.273   3.4785 -9.794949 5.179681 
1 1 1   11    1   21 o   81.626   1.8264   52.400   2.3395   50.989   3.2147   53.988   3.4111   80.392   2.5514   82.710   2.6313 -2.318192 3.665177 
1 1 1   11    1   22 o   51.751   2.3700   21.163   1.9196   21.300   2.6585   21.013   2.7747   51.752   3.2904   51.363   3.4626 0.3885841 4.776694 
1 1 1   11    1   23 o   46.248   2.5065   16.951   1.8124   22.077   2.6694   12.567   2.4685   52.633   3.2477   39.462   4.0432 13.17097 5.186015 
1 1 1   11    1   24 o   29.894   3.7292   7.2514   1.7115   7.5156   2.5284   7.0280   2.3253   29.873   5.5990   28.956   5.3128 0.9164772 7.718441 
1 1 1   11    1   25 o   35.148   3.1255   9.9240   1.7060   11.580   2.4174   8.2809   2.4079   37.671   4.1583   31.485   5.0435 6.185970 6.536705 
1 1 1   11    1   26 f   24.883   4.3146   5.1662   1.6237   6.9811   2.3175   3.4163   2.2757   28.626   5.3557   20.073   6.4056 8.553343 8.349593 
1 1 1   11    1   27 o   8.3412   4.0591  -2.8253   1.6986  -3.9593   2.3750  -1.6379   2.4303   9.7694   4.7643   11.871   5.4987 -2.101944 7.275601 
1 1 1   11    1   28 o   17.155   5.4043   2.5641   1.6244   3.2628   2.4656   2.0283   2.1592   19.245   6.6811   16.376   6.1699 2.869116 9.094197 
1 1 1   11    1   29 o   19.744   5.2921   3.5690   1.6730   5.0628   2.4131   2.1864   2.3215   22.889   6.4455   16.546   6.3583 6.342777 9.053853 
1 1 1   11    1   30 o   16.731   5.1015   2.5738   1.4610   0.3545   2.0698   4.7773   2.0624   12.744   5.5435   22.266   5.8336 -9.521372 8.047426 
1 1 1   11    1   31 f   21.240   4.7649   4.1661   1.5491   5.1503   2.2440   3.2702   2.1410   22.590   6.1610   18.142   6.2290 4.448172 8.761176 
1 1 1   11    1   32 o   11.664   4.6798   0.9693   1.3052   0.8037   1.9121   1.1138   1.7860   12.458   5.3736   12.776   5.3372 -0.3177691 7.573686 
1 1 1   11    2    0 o  219.664   2.3282  378.772   8.0236  378.772   8.0236  378.772   8.0236  219.664   2.3282  219.664   2.3282 0.000000 0.000000 
1 1 1   11    2    1 o  696.668   2.7615  3809.18   30.191  3811.15   42.727  3807.21   42.667  696.766   3.9075  696.405   3.9041 0.3606567 5.523682 
1 1 1   11    2    2 o  331.845   1.7039  864.144   8.8731  872.115   13.082  857.354   12.075  333.355   2.5008  330.526   2.3279 2.828857 3.416591 
1 1 1   11    2    3 o  303.968   1.8270  725.064   8.7150  713.787   13.353  733.432   11.503  301.574   2.8215  305.706   2.3977 -4.131989 3.702661 
1 1 1   11    2    4 o  689.548   2.8320  3731.71   30.645  3739.66   42.091  3722.74   44.705  690.212   3.8859  688.628   4.1368 1.583435 5.675726 
1 1 1   11    2    5 o  241.821   1.5674  458.876   5.9481  450.476   8.3386  467.579   8.4870  239.589   2.2178  244.095   2.2156 -4.505783 3.134883 
1 1 1   11    2    6 o  176.571   1.5739  244.651   4.3613  246.945   6.4331  242.701   5.9328  177.389   2.3109  175.860   2.1497 1.529099 3.156220 
1 1 1   11    2    7 o  494.583   2.5517  1919.75   19.805  1926.41   26.907  1911.88   29.257  495.397   3.4611  493.507   3.7777 1.890259 5.123506 
1 1 1   11    2    8 f  434.046   2.2313  1478.51   15.199  1491.54   21.654  1465.87   21.338  435.914   3.1654  432.148   3.1464 3.765533 4.463131 
1 1 1   11    2    9 o  443.500   2.7694  1543.85   19.275  1559.94   27.496  1528.31   27.028  445.730   3.9309  441.190   3.9037 4.540558 5.539907 
1 1 1   11    2   10 o  475.716   2.1996  1776.10   16.421  1790.11   23.385  1762.46   23.064  477.536   3.1205  473.835   3.1017 3.701324 4.399797 
1 1 1   11    2   11 o  377.781   1.8936  1120.06   11.226  1105.57   15.713  1135.19   16.046  375.292   2.6680  380.285   2.6887 -4.992920 3.787753 
1 1 1   11    2   12 o  161.444   1.4926  204.548   3.7816  213.736   5.4516  196.027   5.2500  165.017   2.1052  158.033   2.1169 6.984283 2.985497 
1 1 1   11    2   13 o  408.770   1.9851  1311.63   12.734  1294.10   17.812  1329.96   18.212  405.947   2.7960  411.530   2.8200 -5.583771 3.971107 
1 1 1   11    2   14 o   84.479   1.7672   56.025   2.3428   57.886   3.3514   54.247   3.2763   85.815   2.4913   83.070   2.5162 2.744888 3.540829 
1 1 1   11    2   15 o  324.801   1.7426  828.301   8.8822  823.458   12.520  833.208   12.603  323.747   2.4643  325.658   2.4661 -1.910645 3.486306 
1 1 1   11    2   16 o  100.145   1.6132   78.745   2.5353   75.775   3.5579   81.809   3.6137   98.204   2.3087  102.042   2.2566 -3.838036 3.228359 
1 1 1   11    2   17 o  180.120   1.6596  254.790   4.6911  254.295   6.3759  255.374   6.9268  179.878   2.2587  180.234   2.4490 -0.3557739 3.331563 
1 1 1   11    2   18 o  222.019   1.5947  387.159   5.5561  384.049   7.5126  390.914   8.2546  221.033   2.1658  222.961   2.3592 -1.928329 3.202598 
1 1 1   11    2   19 o  120.281   1.5635  113.652   2.9512  115.648   4.1181  111.545   4.2315  121.268   2.1639  119.085   2.2643 2.183098 3.132033 
1 1 1   11    2   20 o   31.492   3.7080   7.9480   1.7974   6.9534   2.4836   9.0419   2.6045   29.031   5.6549   33.325   5.1457 -4.294262 7.645698 
1 1 1   11    2   21 o   96.090   1.9345   72.640   2.9171   71.459   3.8282   74.275   4.5048   95.177   2.5654   96.950   2.9644 -1.772545 3.920266 
1 1 1   11    2   22 o   56.054   2.2292   24.803   1.9571   24.222   2.7509   25.399   2.7848   55.218   3.1881   56.556   3.1502 -1.337883 4.481915 
1 1 1   11    2   23 o   28.603   4.0234   6.6593   1.7561   6.1476   2.4769   7.1764   2.4902   26.942   6.0112   29.265   5.6266 -2.323158 8.233640 
1 1 1   11    2   24 o   41.296   2.7778   13.586   1.7897   12.898   2.6315   14.178   2.4412   39.821   4.2780   41.936   3.7490 -2.115147 5.688316 
1 1 1   11    2   25 o   24.978   4.4922   5.2001   1.6961   8.5646   2.5520   2.5383   2.2700   31.934   5.2765   18.188   6.4037 13.74641 8.297511 
1 1 1   11    2   26 o   43.752   2.5603   15.269   1.7502   13.338   2.4813   17.181   2.4691   40.418   3.9628   46.127   3.4357 -5.709053 5.244741 
1 1 1   11    2   27 o   26.270   4.5738   5.8394   1.8171   6.8644   2.5651   4.8067   2.5746   27.872   6.0392   23.111   6.7067 4.761114 9.025018 
1 1 1   11    2   28 o   15.767   5.3098   2.0852   1.5548   1.8110   2.2256   2.3465   2.1729   16.023   6.2075   17.038   6.2323 -1.015005 8.796246 
1 1 1   11    2   29 o   14.770   5.3005   1.7925   1.5620   2.8597   2.3104   0.8941   2.1199   17.867   6.4420   13.893   5.8099 3.974215 8.674929 
1 1 1   11    2   30 o   11.909   5.0247   0.5328   1.6077  -2.0057   2.3961   2.6115   2.1683   10.903   5.1770   16.951   6.2215 -6.047935 8.093677 
1 1 1   11    2   31 o   11.133   4.7174   0.4400   1.4271  -1.2636   2.2177   1.6442   1.8645   10.984   5.1424   14.417   5.6539 -3.432990 7.642690 
1 1 1   11    2   32 o   12.315   4.6261   1.2901   1.2119   0.2771   1.7340   2.2575   1.6944   11.264   4.9808   15.079   5.5054 -3.815271 7.424100 
1 1 1   11    3    0 o  214.626   2.1513  361.580   7.2444  361.580   7.2444  361.580   7.2444  214.626   2.1513  214.626   2.1513 0.000000 0.000000 
1 1 1   11    3    1 o  827.462   3.2053  5374.13   41.622  5381.55   58.949  5366.76   58.775  827.904   4.5372  826.766   4.5301 1.137207 6.411548 
1 1 1   11    3    2 o  424.822   1.9051  1416.24   12.701  1439.03   18.209  1394.65   17.724  428.203   2.7098  421.549   2.6792 6.653564 3.810689 
1 1 1   11    3    3 o  470.925   2.0410  1740.34   15.084  1745.37   21.391  1735.36   21.273  471.576   2.8905  470.224   2.8828 1.352814 4.082330 
1 1 1   11    3    4 o  890.690   3.4256  6226.98   47.881  6218.36   67.613  6235.65   67.816  889.923   4.8414  891.159   4.8492 -1.235596 6.852287 
1 1 1   11    3    5 o  117.378   1.6837  108.115   3.1015  115.084   5.1119  104.056   3.9016  121.094   2.6900  115.151   2.1591 5.943649 3.449328 
1 1 1   11    3    6 o  512.039   2.3212  2057.56   18.652  2067.29   26.498  2048.01   26.258  513.205   3.2901  510.807   3.2757 2.398132 4.642759 
1 1 1   11    3    7 o  483.419   2.4055  1834.04   18.249  1821.19   23.746  1852.57   28.521  481.691   3.1414  485.790   3.7412 -4.099518 4.885181 
1 1 1   11    3    8 o  376.737   1.8969  1113.81   11.215  1112.99   15.856  1114.64   15.864  376.571   2.6831  376.851   2.6825 -0.2801819 3.794054 
1 1 1   11    3    9 o   68.746   2.2330   37.130   2.4058   40.754   3.2040   32.445   3.6428   72.000   2.8412   64.182   3.6315 7.817673 4.610907 
1 1 1   11    3   10 o  334.133   1.9281  876.172   10.110  868.737   14.221  883.769   14.376  332.684   2.7239  335.549   2.7301 -2.865753 3.856557 
1 1 1   11    3   11 o  426.655   2.0438  1428.69   13.684  1435.74   19.441  1421.77   19.266  427.653   2.8968  425.568   2.8847 2.084808 4.088189 
1 1 1   11    3   12 o  257.277   1.7224  519.496   6.9543  515.754   9.8269  523.250   9.8427  256.319   2.4430  258.175   2.4294 -1.856689 3.445327 
1 1 1   11    3   13 o  161.884   1.6156  205.689   4.1044  206.596   5.8376  204.803   5.7719  162.216   2.2931  161.511   2.2772 0.7048187 3.231768 
1 1 1   11    3   14 o  237.635   1.6797  443.298   6.2641  432.621   8.7662  454.439   8.9542  234.701   2.3801  240.548   2.3720 -5.846283 3.360254 
1 1 1   11    3   15 o  124.361   1.7349  121.431   3.3858  115.435   4.9912  126.543   4.6083  121.200   2.6242  126.919   2.3137 -5.718788 3.498511 
1 1 1   11    3   16 o   97.992   1.7659   75.408   2.7156   75.386   3.6117   75.438   4.1188   97.946   2.3497   97.921   2.6829 0.2477264E-01 3.566391 
1 1 1   11    3   17 o  117.076   1.6767  107.650   3.0806  105.996   4.3788  109.271   4.3348  116.117   2.4030  117.902   2.3428 -1.785530 3.356077 
1 1 1   11    3   18 o   81.934   1.8129   52.746   2.3310   51.315   3.2617   54.238   3.3325   80.720   2.5782   82.991   2.5619 -2.271294 3.634569 
1 1 1   11    3   19 o   31.271   3.7106   7.8309   1.7855   6.8350   2.4647   8.9306   2.5901   28.810   5.6534   33.147   5.1460 -4.336849 7.644752 
1 1 1   11    3   20 o   26.525   4.4376   5.7295   1.7819   7.7169   2.5035   3.6888   2.5369   30.671   5.3983   21.479   6.7521 9.192150 8.644791 
1 1 1   11    3   21 o   46.291   3.2957   17.030   2.3785   20.249   3.2319   13.228   3.5129   50.326   4.1285   40.209   5.7291 10.11721 7.061640 
1 1 1   11    3   22 o   43.455   2.7380   14.978   1.8577   17.634   2.6405   12.375   2.6139   46.990   3.6084   39.149   4.3269 7.841030 5.634017 
1 1 1   11    3   23 o   47.419   2.4759   17.819   1.8360   18.984   2.7305   16.858   2.4806   48.689   3.5991   45.899   3.4695 2.789463 4.999047 
1 1 1   11    3   24 o   33.198   3.4214   8.8819   1.7570   13.504   2.6499   5.2560   2.3471   40.769   4.2020   24.759   6.0847 16.01035 7.394631 
1 1 1   11    3   25 o   59.001   2.0978   27.556   1.9392   25.374   2.8071   29.548   2.6822   56.288   3.1909   60.888   2.8146 -4.600479 4.254899 
1 1 1   11    3   26 o   16.432   5.4407   2.1819   1.6335   1.5612   2.3389   2.7730   2.2825   16.206   6.3393   18.582   6.4293 -2.375986 9.028995 
1 1 1   11    3   27 o   39.607   3.1212   12.692   1.9243   12.768   2.7515   12.619   2.6922   39.069   4.5744   38.878   4.4953 0.1908112 6.413478 
1 1 1   11    3   28 o   11.536   4.9170   0.2398   1.5661  -0.0818   2.2538   0.5402   2.1777   12.971   5.7094   13.686   5.8145 -0.7147961 8.148906 
1 1 1   11    3   29 o   10.188   4.5925  -0.4683   1.5509  -1.2920   2.3016   0.2167   2.0990   11.458   5.3224   12.770   5.5681 -1.312190 7.702718 
1 1 1   11    3   30 o   19.998   4.8878   3.6777   1.5208   1.7408   2.2630   5.2727   2.0536   15.324   6.1572   23.525   5.6365 -8.201696 8.347515 
1 1 1   11    3   31 o   23.190   4.4431   4.8700   1.5581   5.1496   2.2469   4.6110   2.1625   22.495   6.1770   21.294   6.1367 1.201284 8.707148 
1 1 1   11    3   32 o   15.879   4.6464   2.4580   1.2312   4.3011   1.7750   0.7489   1.7092   20.385   5.4454   11.941   5.1144 8.443327 7.470608 
1 1 1   11    4    0 o  279.055   2.3354  611.200   10.226  611.200   10.226  611.200   10.226  279.055   2.3354  279.055   2.3354 0.000000 0.000000 
1 1 1   11    4    1 o  410.815   1.8688  1324.38   12.048  1341.47   17.213  1307.98   16.868  413.435   2.6531  408.242   2.6330 5.192871 3.737818 
1 1 1   11    4    2 o  108.423   1.5907   92.246   2.7066   91.395   3.6929   93.235   3.9784  107.917   2.1806  108.997   2.3259 -1.080070 3.188199 
1 1 1   11    4    3 o  560.128   2.3201  2462.17   20.394  2443.72   28.636  2481.17   29.052  557.982   3.2702  562.240   3.2927 -4.258240 4.640687 
1 1 1   11    4    4 o  525.197   2.2133  2164.63   18.242  2158.48   25.728  2170.84   25.869  524.414   3.1262  525.912   3.1344 -1.497986 4.426929 
1 1 1   11    4    5 o  439.021   1.9504  1512.50   13.438  1507.73   18.943  1517.33   19.065  438.303   2.7540  439.696   2.7630 -1.392365 3.901112 
1 1 1   11    4    6 o  414.507   1.8848  1348.31   12.260  1334.53   17.178  1362.62   17.504  412.360   2.6545  416.678   2.6768 -4.317139 3.769870 
1 1 1   11    4    7 o  500.980   2.4686  1969.74   19.408  1977.67   27.553  1961.94   27.342  501.933   3.4980  499.933   3.4851 2.000000 4.937800 
1 1 1   11    4    8 o  157.923   1.5804  195.709   3.9168  199.146   5.7964  192.821   5.3134  159.294   2.3187  156.746   2.1601 2.547653 3.168987 
1 1 1   11    4    9 o  241.616   1.7107  458.127   6.4863  462.525   8.5438  452.143   9.9655  242.762   2.2427  240.011   2.6458 2.750458 3.468410 
1 1 1   11    4   10 o  181.838   1.6498  259.481   4.7079  256.862   6.6474  262.116   6.6685  180.906   2.3415  182.747   2.3253 -1.841110 3.299930 
1 1 1   11    4   11 o  247.111   1.7171  479.231   6.6586  481.369   9.4562  477.128   9.3776  247.638   2.4333  246.545   2.4238 1.092911 3.434456 
1 1 1   11    4   12 o  154.880   1.6339  188.266   3.9713  189.428   5.6364  187.120   5.5965  155.340   2.3121  154.391   2.3099 0.9490662 3.268237 
1 1 1   11    4   13 o  184.126   1.5170  266.090   4.3834  265.309   6.1823  266.879   6.2161  183.829   2.1430  184.372   2.1484 -0.5427094 3.034505 
1 1 1   11    4   14 o   57.248   2.2555   25.779   2.0224   24.424   2.7519   27.370   2.9822   55.653   3.1639   58.917   3.2379 -3.264496 4.527080 
1 1 1   11    4   15 o  104.752   1.6363   86.153   2.6899   85.123   3.7648   87.227   3.8446  104.093   2.3047  105.370   2.3250 -1.277435 3.273717 
1 1 1   11    4   16 o   87.832   1.8763   60.592   2.5862   58.863   3.6798   62.280   3.6355   86.481   2.7148   88.969   2.6067 -2.487434 3.763633 
1 1 1   11    4   17 o   55.741   2.4048   24.473   2.0986   23.763   2.9861   25.166   2.9500   54.808   3.4899   56.426   3.3465 -1.618019 4.835126 
1 1 1   11    4   18 o  109.739   1.7227   94.611   2.9667   90.916   4.1645   98.418   4.2273  107.503   2.4685  111.858   2.4082 -4.354660 3.448599 
1 1 1   11    4   19 o   48.570   2.6736   18.633   2.0300   15.124   2.8735   22.130   2.8682   43.500   4.2641   52.833   3.4787 -9.332451 5.503073 
1 1 1   11    4   20 o   27.369   4.5232   6.1015   1.8749   5.2523   2.6932   6.9000   2.6117   25.096   6.7091   28.838   5.9679 -3.742098 8.979289 
1 1 1   11    4   21 o   90.227   1.9827   64.069   2.8073   63.889   4.7415   64.167   3.4835   89.785   3.3712   90.189   2.4636 -0.4038696 4.175412 
1 1 1   11    4   22 o   88.908   1.7510   62.209   2.4431   60.499   3.4983   63.837   3.4133   87.495   2.5505   89.910   2.4214 -2.414673 3.516849 
1 1 1   11    4   23 o   58.072   2.1128   26.641   1.9222   27.162   2.7808   26.164   2.6600   58.428   3.0433   57.362   2.9650 1.065678 4.248896 
1 1 1   11    4   24 o   32.687   3.5497   8.6353   1.7917   6.2152   2.6953   10.551   2.3982   26.815   6.4781   35.931   4.3411 -9.115343 7.798156 
1 1 1   11    4   25 o   47.428   2.5111   17.896   1.8623   20.625   2.7392   15.550   2.5395   50.619   3.4693   43.833   3.7271 6.786591 5.091910 
1 1 1   11    4   26 o   35.176   3.1947   9.9954   1.7443   9.0274   2.5353   10.865   2.4036   32.699   5.1077   36.280   4.3055 -3.581127 6.680314 
1 1 1   11    4   27 o   17.226   5.6737   2.4884   1.7772   0.7159   2.5031   4.2901   2.5237   14.945   6.2858   21.857   6.7128 -6.911593 9.196328 
1 1 1   11    4   28 o   14.904   5.3577   1.7607   1.5967   2.3419   2.3201   1.2378   2.2007   17.109   6.4063   14.853   6.0345 2.255783 8.800867 
1 1 1   11    4   29 o   12.645   5.1273   0.8808   1.5851   1.5787   2.3688   0.3149   2.1330   15.416   6.2618   12.965   5.6334 2.451720 8.422877 
1 1 1   11    4   30 o   9.1969   4.2773  -0.9752   1.4935  -2.3195   2.2226   0.1316   2.0168   10.142   4.8622   12.255   5.3974 -2.113597 7.264476 
1 1 1   11    4   31 o   10.857   4.6119   0.4034   1.3697  -1.2195   2.0326   1.7534   1.8539   10.481   4.9122   14.545   5.6569 -4.064624 7.491999 
1 1 1   11    4   32 o   9.9331   4.3587   0.1675   1.3043   1.4462   1.9089  -0.9521   1.7862   13.408   5.5524   9.7551   4.5824 3.653106 7.199187 
1 1 1   11    5    0 o  602.030   3.4769  2844.68   32.846  2844.68   32.846  2844.68   32.846  602.030   3.4769  602.030   3.4769 0.000000 0.000000 
1 1 1   11    5    1 o  354.545   1.7243  986.408   9.5936  986.522   13.568  986.293   13.567  354.550   2.4385  354.509   2.4386 0.4119873E-01 3.448670 
1 1 1   11    5    2 o  480.400   2.0760  1811.08   15.651  1818.58   22.207  1803.68   22.060  481.364   2.9398  479.387   2.9323 1.976471 4.152187 
1 1 1   11    5    3 o  411.506   1.9416  1328.85   12.539  1322.65   17.104  1336.06   18.436  410.525   2.6549  412.594   2.8473 -2.068939 3.892965 
1 1 1   11    5    4 o  696.060   2.7678  3802.51   30.234  3806.45   42.795  3798.59   42.719  696.341   3.9162  695.621   3.9133 0.7192993 5.536263 
1 1 1   11    5    5 o  271.261   1.5437  577.411   6.5714  574.614   9.2490  580.261   9.3383  270.594   2.1781  271.920   2.1884 -1.326202 3.087541 
1 1 1   11    5    6 o  247.427   1.6075  480.408   6.2419  475.459   8.1870  487.277   9.6463  246.142   2.1195  249.175   2.4669 -3.033691 3.252339 
1 1 1   11    5    7 o  241.149   2.6593  456.421   10.064  433.249   15.653  472.750   13.140  234.898   4.2462  245.403   3.4119 -10.50485 5.447152 
1 1 1   11    5    8 o   70.241   2.1054   38.756   2.3182   42.873   3.4547   35.383   3.1266   73.844   2.9873   67.073   2.9779 6.770493 4.218042 
1 1 1   11    5    9 o  275.857   1.7159  597.176   7.4282  601.725   10.177  591.989   10.867  276.889   2.3421  274.635   2.5214 2.254822 3.441403 
1 1 1   11    5   10 o  317.040   1.7559  788.823   8.7362  784.367   12.272  793.403   12.440  316.117   2.4737  317.931   2.4933 -1.814789 3.512225 
1 1 1   11    5   11 o  219.683   1.6839  378.757   5.8052  373.396   7.5425  386.548   9.0927  218.107   2.2036  221.899   2.6112 -3.792313 3.416742 
1 1 1   11    5   12 o  161.443   1.6481  204.565   4.1756  200.889   5.8330  208.428   5.9801  159.964   2.3236  162.938   2.3387 -2.973114 3.296769 
1 1 1   11    5   13 o  216.339   1.6689  367.380   5.6661  360.248   7.9106  374.893   8.1195  214.187   2.3535  218.496   2.3680 -4.309433 3.338593 
1 1 1   11    5   14 o  275.661   1.7816  596.624   7.7073  594.572   10.836  598.726   10.965  275.102   2.5099  276.059   2.5310 -0.9564209 3.564495 
1 1 1   11    5   15 o   97.681   1.6677   74.919   2.5565   79.644   3.6269   70.253   3.6041  100.683   2.2954   94.523   2.4317 6.160194 3.344007 
1 1 1   11    5   16 o  153.040   1.5171  183.902   3.6436  180.270   5.0860  187.731   5.2224  151.471   2.1396  154.572   2.1530 -3.101563 3.035341 
1 1 1   11    5   17 f  129.869   1.5488  132.456   3.1565  129.690   4.4141  135.350   4.5156  128.450   2.1898  131.223   2.1928 -2.772934 3.098955 
1 1 1   11    5   18 o   39.029   2.9550   12.066   1.7964   12.189   2.5948   11.954   2.4896   39.021   4.3090   38.663   4.1690 0.3573647 5.995690 
1 1 1   11    5   19 f  124.342   1.4899  121.458   2.9073  119.740   4.0805  123.229   4.1433  123.387   2.1073  125.172   2.1093 -1.784637 2.981609 
1 1 1   11    5   20 o   62.683   2.0263   30.943   1.9907   30.855   2.7979   31.033   2.8329   62.482   2.8610   62.657   2.8888 -0.1750259 4.065784 
1 1 1   11    5   21 o   63.200   2.0543   31.480   2.0348   32.670   2.9216   30.360   2.8355   64.243   2.9055   61.922   2.9262 2.321404 4.123666 
1 1 1   11    5   22 o   38.709   3.0838   11.945   1.8578   8.2984   2.7026   15.212   2.5581   31.568   5.6635   43.554   3.7800 -11.98604 6.809065 
1 1 1   11    5   23 o   9.9983   4.6880  -1.8013   1.8546  -3.2801   2.9652  -0.8511   2.3769   12.206   5.7849   12.841   5.7452 -0.6356745 8.153063 
1 1 1   11    5   24 o   27.924   4.6718   6.4776   1.9750   4.8584   3.0771   7.6120   2.5755   23.781   7.4306   29.974   5.6834 -6.192451 9.354930 
1 1 1   11    5   25 o   34.887   3.4343   9.8452   1.8558   10.356   2.7034   9.3899   2.5522   35.211   5.0358   33.512   5.0063 1.699059 7.100839 
1 1 1   11    5   26 o   24.297   4.7006   5.0032   1.7275   6.7194   2.6421   3.7216   2.2832   27.614   6.2439   20.707   6.3894 6.906967 8.933713 
1 1 1   11    5   27 o   39.427   3.1165   12.606   1.9126   12.897   2.5930   12.258   2.8325   39.340   4.2685   38.025   4.8576 1.315212 6.466599 
1 1 1   11    5   28 o   28.533   4.0077   6.8967   1.7451   7.1087   2.6793   6.7405   2.2999   27.573   6.3265   27.332   5.5518 0.2417450 8.417063 
1 1 1   11    5   29 o   12.004   4.9988   0.6085   1.5595  -1.2230   2.2655   2.2579   2.1500   11.375   5.2828   16.354   6.1578 -4.978640 8.113297 
1 1 1   11    5   30 o   12.077   4.9869   0.7369   1.5339   1.0862   2.2337   0.4252   2.1101   14.122   5.9386   12.871   5.5979 1.250905 8.161069 
1 1 1   11    5   31 o   20.107   5.0271   3.8678   1.5819   4.2091   2.2506   3.5345   2.2238   19.965   6.3702   18.429   6.3475 1.536142 8.992796 
1 1 1   11    5   32 o   17.304   4.7223   2.9751   1.3178   3.1968   1.9652   2.7940   1.7764   16.956   5.9594   16.148   5.6666 0.8087273 8.223421 
1 1 1   11    6    0 o  340.110   2.4027  907.860   12.823  907.860   12.823  907.860   12.823  340.110   2.4027  340.110   2.4027 0.000000 0.000000 
1 1 1   11    6    1 o  392.560   1.9610  1209.31   12.080  1200.35   18.335  1216.19   16.059  391.073   2.9875  393.658   2.5996 -2.584900 3.960164 
1 1 1   11    6    2 o  195.136   1.4658  298.799   4.4888  298.249   6.3345  299.354   6.3617  194.950   2.0705  195.311   2.0756 -0.3608704 2.931751 
1 1 1   11    6    3 o  166.814   1.7079  218.363   4.4709  215.159   6.2967  221.621   6.3492  165.578   2.4233  168.046   2.4076 -2.468246 3.415955 
1 1 1   11    6    4 o  641.747   2.7702  3232.29   27.898  3241.75   39.587  3222.96   39.322  642.605   3.9256  640.741   3.9106 1.864441 5.541059 
1 1 1   11    6    5 o  285.084   1.6843  637.773   7.5354  642.471   10.721  633.186   10.593  286.118   2.3878  284.044   2.3765 2.074707 3.368870 
1 1 1   11    6    6 o  243.873   1.8416  466.725   7.0480  461.976   9.4525  472.671   10.577  242.616   2.4827  245.402   2.7464 -2.785706 3.702218 
1 1 1   11    6    7 o  401.826   2.3477  1267.23   14.804  1261.77   23.289  1270.94   19.177  400.887   3.7019  402.381   3.0370 -1.494110 4.788295 
1 1 1   11    6    8 o  185.811   1.6118  270.939   4.6999  270.609   6.3941  271.326   6.9317  185.689   2.1943  185.931   2.3756 -0.2422485 3.233950 
1 1 1   11    6    9 o  115.871   1.6593  105.363   3.0173  112.289   4.3221   98.779   4.2141  119.611   2.3026  112.184   2.3937 7.426895 3.321371 
1 1 1   11    6   10 o  265.454   1.6397  553.008   6.8307  543.804   9.5395  562.694   9.7852  263.213   2.3095  267.745   2.3289 -4.531799 3.279814 
1 1 1   11    6   11 f  380.984   1.9181  1139.27   11.468  1150.84   16.330  1128.01   16.110  382.853   2.7179  379.038   2.7083 3.815613 3.836905 
1 1 1   11    6   12 o  105.228   1.6814   86.913   2.7766   81.705   3.8479   92.572   4.0105  102.009   2.4037  108.583   2.3536 -6.573822 3.364066 
1 1 1   11    6   13 o  228.175   1.7667  408.729   6.3262  411.275   8.6309  405.773   9.2998  228.834   2.4034  227.279   2.6074 1.555008 3.546114 
1 1 1   11    6   14 o  121.621   1.6764  116.133   3.1996  116.722   4.6625  115.609   4.3989  121.887   2.4375  121.312   2.3107 0.5746689 3.358676 
1 1 1   11    6   15 o   90.505   1.7812   64.326   2.5299   63.136   3.5866   65.504   3.5690   89.589   2.5537   91.259   2.4944 -1.670860 3.569833 
1 1 1   11    6   16 o   88.401   1.8075   61.383   2.5075   63.655   3.5624   59.151   3.5302   89.943   2.5264   86.692   2.5978 3.250214 3.623676 
1 1 1   11    6   17 o  108.284   1.5450   92.089   2.6254   94.330   3.7249   89.877   3.7008  109.544   2.1668  106.924   2.2056 2.620232 3.091866 
1 1 1   11    6   18 o   76.391   1.8029   45.860   2.1614   48.841   3.0648   42.910   3.0486   78.742   2.4833   73.782   2.6372 4.959976 3.622354 
1 1 1   11    6   19 o  136.353   1.4819  146.063   3.1710  143.594   4.4448  148.623   4.5251  135.112   2.0963  137.458   2.0978 -2.345413 2.965632 
1 1 1   11    6   20 o   34.424   3.3194   9.4527   1.7710   8.9568   2.5245   9.9332   2.4850   33.153   5.0083   35.035   4.6332 -1.882412 6.822746 
1 1 1   11    6   21 o   96.608   1.6498   73.406   2.5012   75.596   3.5645   71.281   3.5106   97.926   2.3195   95.084   2.3527 2.842636 3.303813 
1 1 1   11    6   22 o   24.754   4.8318   5.0893   1.8096   5.7092   2.7394   4.6094   2.4104   25.867   6.6966   23.335   6.3940 2.531548 9.258939 
1 1 1   11    6   23 o   26.794   5.1266   6.0085   2.0771   4.1174   2.9610   7.8406   2.9145   22.331   7.3219   30.301   6.3334 -7.969500 9.681049 
1 1 1   11    6   24 o   44.866   3.0802   16.109   2.1556   16.556   3.1338   15.708   2.9697   45.001   4.4977   43.871   4.3716 1.129631 6.272213 
1 1 1   11    6   25 o   11.255   4.9532  -0.3240   1.6956  -3.1175   2.5017   2.0495   2.3060   10.856   5.1922   17.135   6.3927 -6.279028 8.235579 
1 1 1   11    6   26 o   29.697   4.1090   7.3132   1.8637   7.5732   2.7318   7.0868   2.5491   29.347   6.1297   28.472   5.8991 0.8747711 8.507184 
1 1 1   11    6   27 o   36.937   3.2946   11.142   1.8897   13.589   2.7582   8.9765   2.5943   40.209   4.4452   32.125   5.3329 8.083931 6.942641 
1 1 1   11    6   28 o   21.471   5.6772   4.2504   1.9418   2.9343   2.7893   5.4881   2.7049   18.500   7.0032   23.740   6.8699 -5.240154 9.810190 
1 1 1   11    6   29 o   27.233   3.9926   6.4020   1.6557   6.3736   2.4110   6.4273   2.2776   25.721   6.0714   26.110   5.7173 -0.3896561 8.339642 
1 1 1   11    6   30 o   12.012   4.9798   0.7124   1.5378   0.1317   2.2238   1.2446   2.1289   12.679   5.6219   14.164   5.8644 -1.484989 8.123835 
1 1 1   11    6   31 o   12.037   5.0617   0.7622   1.6228  -0.6741   2.3015   2.1825   2.2886   11.575   5.3579   15.523   6.2074 -3.947343 8.199936 
1 1 1   11    6   32 o   12.725   4.8352   1.4679   1.3327  -0.3434   1.9274   3.1272   1.8447   10.687   4.9314   16.798   5.7815 -6.110921 7.598951 
1 1 1   11    7    0 o  229.184   2.6797  412.355   9.6350  412.355   9.6350  412.355   9.6350  229.184   2.6797  229.184   2.6797 0.000000 0.000000 
1 1 1   11    7    1 o  344.338   2.2851  930.506   12.348  934.225   16.649  925.958   18.409  345.002   3.0751  343.461   3.4155 1.541748 4.595866 
1 1 1   11    7    2 o  370.449   2.1492  1076.96   12.494  1040.91   18.012  1110.40   17.347  364.165   3.1517  376.132   2.9388 -11.96680 4.309289 
1 1 1   11    7    3 o  217.773   1.7275  372.160   5.9036  370.011   8.3475  374.311   8.3506  217.133   2.4498  218.391   2.4365 -1.258347 3.455150 
1 1 1   11    7    4 o  284.776   1.8278  636.405   8.1684  639.350   11.597  633.506   11.507  285.417   2.5893  284.109   2.5809 1.307190 3.655843 
1 1 1   11    7    5 o  606.919   2.6513  2891.07   25.252  2891.09   35.703  2891.04   35.720  606.838   3.7491  606.833   3.7509 0.5187988E-02 5.303293 
1 1 1   11    7    6 o  311.698   2.3127  762.513   11.313  755.543   15.899  769.659   16.100  310.234   3.2658  313.119   3.2764 -2.884277 4.626016 
1 1 1   11    7    7 o  182.836   1.6808  262.335   4.8226  258.720   7.3836  265.024   6.3688  181.556   2.5915  183.762   2.2085 -2.206284 3.404888 
1 1 1   11    7    8 o  416.879   2.0316  1363.91   13.291  1352.79   18.655  1375.37   18.941  415.135   2.8635  418.584   2.8834 -3.448975 4.063733 
1 1 1   11    7    9 o  241.754   1.8077  458.680   6.8580  460.104   10.174  457.494   9.2845  242.100   2.6778  241.421   2.4506 0.6791382 3.629894 
1 1 1   11    7   10 o   65.964   2.0974   34.188   2.1684   36.967   3.0982   31.520   3.0359   68.556   2.8863   63.283   3.0661 5.272732 4.210850 
1 1 1   11    7   11 o   85.384   1.8165   57.224   2.4340   56.469   3.5032   57.929   3.3842   84.762   2.6369   85.859   2.5144 -1.096397 3.643499 
1 1 1   11    7   12 o  188.020   1.4521  277.469   4.2846  279.984   6.0532  274.944   6.0656  188.843   2.0426  187.134   2.0654 1.708923 2.904835 
1 1 1   11    7   13 o  226.702   1.4785  403.433   5.2599  400.925   7.3952  406.000   7.4829  225.948   2.0856  227.373   2.0971 -1.424667 2.957648 
1 1 1   11    7   14 o  128.470   1.4887  129.571   3.0013  124.490   4.1970  134.889   4.2935  125.891   2.1244  131.046   2.0878 -5.155205 2.978559 
1 1 1   11    7   15 o  111.322   1.5482   97.305   2.7047   93.812   3.7831  100.957   3.8684  109.267   2.2063  113.354   2.1746 -4.086975 3.097844 
1 1 1   11    7   16 o   98.317   1.7481   75.928   2.6971   76.021   3.8087   75.834   3.8198   98.294   2.4711   98.172   2.4814 0.1221619 3.501925 
1 1 1   11    7   17 o  112.563   1.7533   99.549   3.0972   98.313   4.5349  100.629   4.2401  111.777   2.5853  113.109   2.3888 -1.332069 3.519917 
1 1 1   11    7   18 o   45.855   2.9407   16.638   2.1050   14.983   3.0268   18.188   2.9294   43.246   4.5270   47.799   3.9403 -4.553112 6.001654 
1 1 1   11    7   19 o  128.087   1.5414  128.915   3.0983  126.464   4.4158  131.291   4.3482  126.767   2.2197  129.176   2.1450 -2.409142 3.086784 
1 1 1   11    7   20 o   64.118   2.0889   32.395   2.0991   33.668   3.0148   31.198   2.9244   65.230   2.9528   62.782   2.9767 2.447643 4.192823 
1 1 1   11    7   21 o   29.315   4.0814   6.9723   1.8268   7.9151   2.6402   6.1065   2.5302   30.857   5.6608   26.923   6.1268 3.933680 8.341615 
1 1 1   11    7   22 o  100.526   1.6741   79.556   2.6411   77.837   3.7860   81.185   3.6861   99.253   2.4307  101.398   2.3165 -2.144897 3.357718 
1 1 1   11    7   23 o   19.816   5.8954   3.2930   1.9685   1.0144   2.6858   5.9377   2.8936   16.226   6.6385   26.149   6.9378 -9.923164 9.602215 
1 1 1   11    7   24 o   15.812   5.9711   1.6205   2.0249   3.8302   3.0077  -0.2114   2.7385   21.599   7.3839   14.541   6.3499 7.058115 9.738734 
1 1 1   11    7   25 o   14.272   5.5367   1.1896   1.7724   2.5803   2.5896  -0.0362   2.4311   18.567   6.8017   13.879   6.0226 4.688482 9.084879 
1 1 1   11    7   26 o   40.233   2.9787   13.048   1.8674   11.805   2.7187   14.159   2.5693   37.513   4.7226   41.492   3.9952 -3.979324 6.185898 
1 1 1   11    7   27 o   24.545   4.7546   5.2269   1.7652   6.1513   2.5891   4.4239   2.4131   25.790   6.4219   21.878   6.5317 3.912142 9.159925 
1 1 1   11    7   28 o   15.688   5.5738   2.0774   1.7229  -1.6711   2.4215   5.9210   2.4520   11.449   5.3644   24.915   6.2756 -13.46604 8.255881 
1 1 1   11    7   29 o   12.794   5.3366   0.7810   1.7818   0.1252   2.5492   1.4073   2.4914   13.483   5.9963   15.140   6.3125 -1.656913 8.706530 
1 1 1   11    7   30 o   12.171   5.0897   0.7059   1.6267   0.3143   2.3796   1.0495   2.2289   13.191   5.8338   13.954   5.9035 -0.7631874 8.299684 
1 1 1   11    7   31 o   12.641   5.1770   1.1222   1.6354   0.8895   2.5358   1.2879   2.1399   13.659   6.0323   13.677   5.7853 -0.1842976E-01 8.358121 
1 1 1   11    7   32 o   10.871   4.6301   0.6272   1.3868   0.1217   2.0388   1.0626   1.8920   11.419   5.1945   12.502   5.3681 -1.082582 7.469896 
1 1 1   11    8    0 o  281.316   2.6141  621.201   11.538  621.201   11.538  621.201   11.538  281.316   2.6141  281.316   2.6141 0.000000 0.000000 
1 1 1   11    8    1 o  330.309   1.9558  856.201   10.138  849.209   14.210  863.448   14.467  328.935   2.7529  331.680   2.7794 -2.745483 3.911968 
1 1 1   11    8    2 f  329.104   1.9482  849.970   10.062  853.736   14.249  846.225   14.210  329.809   2.7530  328.355   2.7577 1.454224 3.896663 
1 1 1   11    8    3 o  210.824   1.7308  348.792   5.7264  353.375   8.1026  344.218   8.0941  212.192   2.4333  209.424   2.4628 2.768021 3.462133 
1 1 1   11    8    4 o  132.710   1.6564  138.208   3.4496  140.467   4.8619  135.917   4.8951  133.783   2.3158  131.597   2.3703 2.185715 3.313806 
1 1 1   11    8    5 o  352.533   1.8642  975.314   10.314  981.053   14.619  969.627   14.553  353.541   2.6349  351.476   2.6384 2.064972 3.728789 
1 1 1   11    8    6 o  229.719   1.7518  414.126   6.3151  416.672   9.7765  412.303   8.2725  230.402   2.7039  229.201   2.2999 1.200424 3.549753 
1 1 1   11    8    7 o  264.763   1.6663  550.110   6.9235  554.503   9.8388  545.801   9.7444  265.799   2.3587  263.706   2.3547 2.093719 3.332883 
1 1 1   11    8    8 o   55.392   2.6355   24.139   2.2844   24.544   3.2208   23.730   3.2405   55.784   3.7000   54.839   3.7887 0.9448624 5.295728 
1 1 1   11    8    9 o  185.969   1.5805  271.418   4.6126  281.412   6.6075  261.917   6.4421  189.345   2.2237  182.668   2.2473 6.677185 3.161500 
1 1 1   11    8   10 o   41.655   3.5011   13.727   2.2675   13.644   3.6286   13.779   2.9045   41.241   5.7638   41.623   4.5191 -0.3819809 7.324187 
1 1 1   11    8   11 f  215.515   1.5873  364.562   5.3683  368.333   7.6199  360.846   7.5642  216.592   2.2418  214.379   2.2484 2.212967 3.175064 
1 1 1   11    8   12 o  236.963   1.6063  440.793   5.9734  442.863   8.4712  438.745   8.4242  237.465   2.2732  236.359   2.2712 1.106689 3.213361 
1 1 1   11    8   13 o  133.786   1.6009  140.522   3.3612  142.292   4.7655  138.769   4.7414  134.588   2.2563  132.910   2.2732 1.677994 3.202873 
1 1 1   11    8   14 f  110.366   1.6885   95.649   2.9244   98.423   4.1857   93.003   4.0875  111.914   2.3833  108.788   2.3943 3.126038 3.378252 
1 1 1   11    8   15 o  124.740   1.6437  122.198   3.2175  118.841   4.5462  125.566   4.5544  122.959   2.3560  126.396   2.2961 -3.436272 3.289821 
1 1 1   11    8   16 o  194.121   1.5758  295.962   4.8004  298.244   6.7981  293.692   6.7796  194.775   2.2241  193.281   2.2352 1.493683 3.153161 
1 1 1   11    8   17 o  157.971   1.5836  196.036   3.9258  201.714   5.5956  190.534   5.5091  160.151   2.2264  155.645   2.2555 4.506165 3.169255 
1 1 1   11    8   18 o  113.239   1.7096  100.776   3.0381   99.429   4.2930  102.128   4.3002  112.387   2.4341  113.907   2.4057 -1.519302 3.422264 
1 1 1   11    8   19 o   56.007   2.7398   24.791   2.4008   27.256   3.4632   22.510   3.3311   58.548   3.7897   53.136   4.0247 5.411350 5.528097 
1 1 1   11    8   20 o   46.005   3.2285   16.828   2.3161   13.994   3.3194   19.516   3.2331   41.472   5.2154   49.345   4.2155 -7.872211 6.706013 
1 1 1   11    8   21 o   86.838   2.0720   59.431   2.8237   59.565   3.9732   59.293   4.0136   86.700   2.9244   86.491   2.9614 0.2091064 4.161996 
1 1 1   11    8   22 o   62.029   2.2404   30.422   2.1773   32.867   3.1586   28.209   3.0054   64.244   3.1425   59.481   3.2318 4.762894 4.507743 
1 1 1   11    8   23 o   12.463   5.2903   0.1644   1.8001   0.0329   2.6218   0.2816   2.4758   14.608   6.2964   14.578   6.1969 0.2981663E-01 8.834387 
1 1 1   11    8   24 o   9.3225   4.5078  -3.0576   2.0090  -3.0646   2.9666  -3.0517   2.7305   12.261   5.8039   11.605   5.5151 0.6559744 8.006361 
1 1 1   11    8   25 o   51.010   2.7125   20.796   2.1636   18.776   3.1184   22.671   3.0043   47.856   4.1947   52.888   3.6419 -5.031971 5.555067 
1 1 1   11    8   26 o   55.140   2.5527   24.324   2.2028   22.032   3.2142   26.354   3.0249   51.759   3.9879   56.983   3.3982 -5.223701 5.239344 
1 1 1   11    8   27 o   10.979   4.9691  -0.6630   1.8369  -3.0728   2.6871   1.4508   2.5168   11.122   5.3359   15.800   6.4407 -4.678082 8.363880 
1 1 1   11    8   28 o   22.112   5.3691   4.5115   1.8442   6.0449   2.6937   3.1587   2.5302   24.691   6.7568   18.509   6.7320 6.181946 9.538062 
1 1 1   11    8   29 o   12.965   5.3163   0.9588   1.7274   0.5532   2.5525   1.3016   2.3463   13.963   6.1131   14.680   6.1238 -0.7170353 8.652802 
1 1 1   11    8   30 o   18.932   5.7727   3.5514   1.8706  -1.6991   2.7107   8.3250   2.5847   11.740   5.5545   29.184   5.8477 -17.44329 8.065201 
1 1 1   11    8   31 o   17.634   5.4157   3.2239   1.6426   1.1813   2.3962   5.0348   2.2562   13.661   5.9530   21.157   6.3157 -7.495857 8.679092 
1 1 1   11    9    0 o  156.826   2.2899  193.126   5.6330  193.126   5.6330  193.126   5.6330  156.826   2.2899  156.826   2.2899 0.000000 0.000000 
1 1 1   11    9    1 o  417.958   1.9174  1370.92   12.577  1376.80   17.855  1365.12   17.718  418.820   2.7165  417.040   2.7073 1.779999 3.835213 
1 1 1   11    9    2 o  227.516   1.5136  406.204   5.4043  410.989   7.6741  401.496   7.6120  228.840   2.1369  226.182   2.1445 2.658432 3.027447 
1 1 1   11    9    3 o   45.714   3.0042   16.475   2.1432   15.345   3.0192   17.622   3.0429   43.980   4.4351   47.190   4.1511 -3.209972 6.074694 
1 1 1   11    9    4 o  317.714   1.7887  792.164   8.9184  788.813   12.552  795.579   12.674  317.019   2.5231  318.375   2.5366 -1.356262 3.577756 
1 1 1   11    9    5 o   75.757   2.2348   45.081   2.6540   47.737   3.7907   42.528   3.7170   77.919   3.1062   73.532   3.2290 4.387413 4.480547 
1 1 1   11    9    6 o  134.365   1.7100  141.683   3.6056  139.299   5.0711  144.120   5.1276  133.220   2.4257  135.506   2.4113 -2.285629 3.420254 
1 1 1   11    9    7 o   98.879   1.9163   76.733   2.9736   79.653   4.2191   73.851   4.1917  100.697   2.6723   96.954   2.7578 3.743134 3.840116 
1 1 1   11    9    8 o  136.975   1.6842  147.249   3.6204  144.650   5.0904  149.908   5.1501  135.747   2.3895  138.192   2.3748 -2.445679 3.368904 
1 1 1   11    9    9 o  246.318   1.5423  476.174   5.9619  474.866   8.4388  477.478   8.4240  245.952   2.1864  246.628   2.1765 -0.6759949 3.085064 
1 1 1   11    9   10 o  200.630   1.5982  315.938   5.0319  318.636   7.7161  313.942   6.6376  201.442   2.4408  199.971   2.1151 1.471039 3.229770 
1 1 1   11    9   11 o  160.021   1.4955  200.996   3.7554  200.549   5.3152  201.442   5.3068  159.814   2.1193  160.169   2.1113 -0.3554993 2.991501 
1 1 1   11    9   12 f  271.395   1.6836  578.283   7.1703  572.016   10.054  584.769   10.229  269.841   2.3742  272.830   2.3891 -2.989410 3.368185 
1 1 1   11    9   13 o   47.750   2.7048   17.981   2.0186   18.762   2.9115   17.258   2.8011   48.658   3.8441   46.653   3.8605 2.005497 5.447931 
1 1 1   11    9   14 o   80.445   1.8747   50.831   2.3667   53.769   3.3931   48.047   3.3027   82.655   2.6192   78.121   2.6980 4.533546 3.760235 
1 1 1   11    9   15 o  182.061   1.5340  260.300   4.3829  256.037   6.3707  264.131   6.0392  180.476   2.2494  183.328   2.0991 -2.851929 3.076698 
1 1 1   11    9   16 o   98.430   1.7814   76.125   2.7516   83.920   3.8478   67.966   3.9365  103.293   2.3737   92.885   2.7035 10.40795 3.597696 
1 1 1   11    9   17 o   53.471   2.4773   22.552   2.0731   22.757   2.9916   22.363   2.8754   53.562   3.5796   53.113   3.4688 0.4495850 4.984554 
1 1 1   11    9   18 f   80.086   1.9244   50.436   2.4186   51.695   3.4573   49.230   3.3847   80.944   2.7256   78.988   2.7347 1.956573 3.861053 
1 1 1   11    9   19 o  131.646   1.5797  136.229   3.2635  140.352   4.6878  132.352   4.5460  133.503   2.2376  129.643   2.2345 3.859619 3.162212 
1 1 1   11    9   20 o   34.735   3.8615   9.7076   2.0693   10.765   2.9816   8.7253   2.8743   36.196   5.4152   32.388   5.8713 3.807949 7.987263 
1 1 1   11    9   21 o   51.635   2.8978   21.183   2.3387   20.961   3.1864   21.443   3.4433   51.074   4.0076   51.573   4.2933 -0.4994392 5.873110 
1 1 1   11    9   22 o   51.291   3.0922   20.987   2.4774   19.437   3.5544   22.452   3.4550   48.829   4.6963   52.696   4.2130 -3.866203 6.309113 
1 1 1   11    9   23 o   24.057   6.0697   4.9931   2.2910   6.8740   3.5134   3.6016   3.0219   27.786   7.7606   21.200   7.3942 6.586260 10.71918 
1 1 1   11    9   24 o   29.213   4.9298   7.1741   2.1797   7.1415   3.0338   7.2089   3.1337   28.379   6.8835   28.449   7.0541 -0.7056999E-01 9.856129 
1 1 1   11    9   25 o   10.770   4.9747  -1.3432   1.9690  -4.9498   2.8227   2.0755   2.7481   10.463   5.1220   17.734   6.8901 -7.270809 8.585349 
1 1 1   11    9   26 o   13.067   5.4973   0.4799   1.9155   1.7435   2.8131  -0.6124   2.6155   17.030   6.8573   13.385   6.0046 3.645525 9.114696 
1 1 1   11    9   27 o   28.659   4.4998   7.0986   1.9572   3.0884   2.8483   10.686   2.6939   18.872   7.0915   34.874   5.0709 -16.00208 8.717975 
1 1 1   11    9   28 o   21.418   5.5191   4.3087   1.8666   2.5691   2.6116   6.1254   2.6689   17.310   6.7193   24.726   6.7089 -7.415827 9.495168 
1 1 1   11    9   29 f   19.904   5.4093   3.7786   1.7334   5.9152   2.5059   1.8185   2.4002   24.134   6.4805   15.531   6.3050 8.602859 9.041625 
1 1 1   11    9   30 o   13.426   5.2994   1.3841   1.6474   1.0129   2.3976   1.7161   2.2674   13.943   6.0155   14.853   6.0907 -0.9106312 8.560548 
1 1 1   11    9   31 o   10.816   4.8055   0.2165   1.6330  -0.1281   2.5402   0.4593   2.1320   12.167   5.6306   12.147   5.4375 0.1909447E-01 7.827533 
1 1 1   11   10    0 o   35.815   6.1732   10.926   3.1607   10.926   3.1607   10.926   3.1607   35.815   6.1732   35.815   6.1732 0.000000 0.000000 
1 1 1   11   10    1 o  283.950   1.6217  632.722   7.2261  628.127   10.186  637.378   10.253  282.899   2.2944  284.975   2.2926 -2.075775 3.243506 
1 1 1   11   10    2 o  118.072   1.6931  109.403   3.1372  109.470   4.4039  109.334   4.4702  118.100   2.3762  118.026   2.4135 0.7376099E-01 3.386885 
1 1 1   11   10    3 o  166.147   1.5498  216.627   4.0408  210.414   5.6768  223.009   5.7531  163.737   2.2093  168.567   2.1748 -4.829910 3.100134 
1 1 1   11   10    4 o  240.151   1.5610  452.584   5.8831  455.003   8.3608  450.213   8.2796  240.776   2.2127  239.505   2.2029 1.270569 3.122305 
1 1 1   11   10    5 o  129.471   1.7137  131.552   3.4819  133.136   4.7785  129.759   5.0840  130.239   2.3380  128.573   2.5197 1.665741 3.437330 
1 1 1   11   10    6 o  110.445   1.8238   95.735   3.1611   94.481   4.4883   96.968   4.4528  109.707   2.6070  111.143   2.5530 -1.435532 3.648869 
1 1 1   11   10    7 o  151.741   1.5619  180.704   3.7194  182.700   5.2850  178.745   5.2353  152.562   2.2075  150.902   2.2108 1.660660 3.124151 
1 1 1   11   10    8 o  105.613   1.8399   87.550   3.0494   86.529   4.6117   88.343   4.0648  104.936   2.8030  106.077   2.4418 -1.141891 3.717417 
1 1 1   11   10    9 o  146.566   1.6721  168.614   3.8460  174.015   5.4722  163.341   5.4065  148.870   2.3423  144.230   2.3887 4.639847 3.345472 
1 1 1   11   10   10 o   78.188   2.5885   48.072   3.1717   44.816   4.4320   51.491   4.5408   75.397   3.7576   80.845   3.5880 -5.448524 5.195548 
1 1 1   11   10   11 o  247.794   1.6685  482.066   6.4883  479.801   9.1370  484.371   9.2153  247.141   2.3559  248.314   2.3648 -1.173065 3.338045 
1 1 1   11   10   12 o  111.018   1.7961   96.784   3.1292  101.768   4.4639   91.968   4.3878  113.798   2.4996  108.175   2.5847 5.623322 3.595666 
1 1 1   11   10   13 o   92.158   1.8144   66.704   2.6241   64.849   3.7173   68.546   3.7047   90.784   2.6119   93.346   2.5314 -2.561737 3.637315 
1 1 1   11   10   14 o   55.843   2.4157   24.563   2.1120   21.831   2.9782   27.326   2.9955   52.505   3.6370   58.818   3.2580 -6.312939 4.882840 
1 1 1   11   10   15 o   61.928   2.2878   30.197   2.2195   28.827   3.1559   31.538   3.1221   60.384   3.3435   63.193   3.1583 -2.809101 4.599285 
1 1 1   11   10   16 o  154.569   1.6431  187.709   3.9857  187.987   5.6782  187.440   5.5959  154.581   2.3407  154.361   2.3101 0.2198181 3.288672 
1 1 1   11   10   17 o   51.810   2.7986   21.215   2.2670   23.218   3.2445   19.304   3.1688   54.040   3.8511   49.197   4.1428 4.843258 5.656300 
1 1 1   11   10   18 o  184.119   1.6292  266.458   4.7075  271.875   6.6980  261.171   6.6174  185.822   2.2969  182.123   2.3153 3.699600 3.261377 
1 1 1   11   10   19 o   86.769   2.0114   59.270   2.7389   60.666   3.8876   57.893   3.8593   87.599   2.8317   85.561   2.8784 2.038361 4.037748 
1 1 1   11   10   20 o   86.155   1.9152   58.458   2.5893   57.683   3.6832   59.216   3.6409   85.369   2.7529   86.516   2.6849 -1.146347 3.845408 
1 1 1   11   10   21 o   77.135   2.0102   46.954   2.4312   48.230   3.4631   45.713   3.4140   77.957   2.8355   75.882   2.8721 2.075821 4.035925 
1 1 1   11   10   22 o   42.785   3.1113   14.646   2.0748   14.955   2.9345   14.337   2.9339   42.822   4.4306   41.880   4.5364 0.9418945 6.341050 
1 1 1   11   10   23 o   25.313   5.6853   5.5015   2.2031  -0.7671   3.1901   11.217   3.0461   14.995   6.6860   36.513   5.4855 -21.51753 8.648315 
1 1 1   11   10   24 o   14.794   6.0814   0.8518   2.2675  -2.1364   3.0327   4.6400   3.4147   13.156   6.1104   23.145   7.8685 -9.989705 9.962464 
1 1 1   11   10   25 o   16.744   6.1555   2.0978   2.1239  -0.9357   3.0440   4.9757   2.9649   14.206   6.4162   23.403   7.2911 -9.196296 9.712232 
1 1 1   11   10   26 o   26.384   4.8669   6.0499   1.9409   4.5115   2.7367   7.6067   2.7530   21.963   7.0262   28.827   6.2649 -6.863804 9.413666 
1 1 1   11   10   27 o   31.884   3.9715   8.6444   1.9442   9.4530   2.7867   7.8774   2.7139   32.109   5.7411   28.927   6.1668 3.182344 8.425538 
1 1 1   11   10   28 o   9.8918   4.6267  -1.2421   1.7879  -0.1269   2.5866  -2.2624   2.4739   13.250   5.9555   10.896   5.1980 2.354156 7.904903 
1 1 1   11   10   29 o   12.511   5.2529   0.7494   1.7434   1.8970   2.5307  -0.2872   2.4051   15.713   6.4381   12.510   5.6713 3.203799 8.579830 
1 1 1   11   10   30 o   22.663   5.1342   5.0126   1.7835   5.1807   2.6492   4.8731   2.4120   21.171   6.9247   20.894   6.5859 0.2777233 9.556483 
1 1 1   11   10   31 o   13.388   5.3505   1.6577   1.6994   1.6261   2.4636   1.6863   2.3472   13.939   6.0555   13.933   5.9808 0.5928993E-02 8.511130 
1 1 1   11   11    0 o  366.595   2.9564  1054.97   17.006  1054.97   17.006  1054.97   17.006  366.595   2.9564  366.595   2.9564 0.000000 0.000000 
1 1 1   11   11    1 o   85.733   2.1199   57.688   2.8521   55.903   4.0879   59.381   3.9813   84.327   3.0943   86.923   2.9228 -2.595810 4.256476 
1 1 1   11   11    2 o  287.463   1.6489  648.502   7.4383  649.575   10.533  647.435   10.506  287.678   2.3331  287.204   2.3310 0.4741516 3.297984 
1 1 1   11   11    3 o  254.928   1.6009  510.015   6.4047  513.422   9.0699  506.626   9.0454  255.758   2.2598  254.059   2.2687 1.698639 3.202153 
1 1 1   11   11    4 o  107.022   1.8038   89.891   3.0295   94.693   4.3129   85.214   4.2564  109.832   2.5023  104.188   2.6033 5.644417 3.610889 
1 1 1   11   11    5 o  376.157   1.8367  1110.53   10.842  1107.25   15.302  1113.83   15.364  375.554   2.5964  376.667   2.5991 -1.112579 3.673788 
1 1 1   11   11    6 f   56.640   2.6744   25.244   2.3705   29.777   3.4201   21.053   3.2885   61.465   3.5609   51.599   4.0947 9.866074 5.426441 
1 1 1   11   11    7 o   80.810   2.0427   51.295   2.5884   49.371   3.6798   53.180   3.6416   79.230   2.9648   82.242   2.8258 -3.011971 4.095723 
1 1 1   11   11    8 f  172.142   1.6412  232.598   4.4337  233.778   6.6952  231.676   5.9171  172.539   2.4727  171.777   2.1950 0.7627716 3.306393 
1 1 1   11   11    9 o  147.815   1.5620  171.511   3.6234  174.538   5.1694  168.587   5.0803  149.083   2.2095  146.520   2.2094 2.563431 3.124699 
1 1 1   11   11   10 o   84.643   2.2458   56.315   2.9804   54.594   4.2644   57.958   4.1672   83.257   3.2703   85.803   3.0999 -2.546600 4.505980 
1 1 1   11   11   11 o   73.753   2.0939   42.761   2.4210   45.950   3.4778   39.762   3.3724   76.391   2.9063   71.042   3.0319 5.349464 4.199880 
1 1 1   11   11   12 o  108.831   1.8255   93.023   3.1178   95.237   4.4447   90.878   4.3746  110.067   2.5732  107.518   2.5927 2.549522 3.652863 
1 1 1   11   11   13 o  201.812   1.6409  319.859   5.1967  321.507   7.3427  318.204   7.3559  202.243   2.3135  201.199   2.3297 1.043915 3.283295 
1 1 1   11   11   14 o   35.408   4.3377   10.054   2.3600   9.2695   3.2686   10.909   3.4110   33.560   6.4404   36.537   6.1684 -2.976730 8.917851 
1 1 1   11   11   15 o   89.958   2.1502   63.633   3.0354   61.708   4.2237   65.690   4.3654   88.440   3.0478   91.252   3.0527 -2.811424 4.313697 
1 1 1   11   11   16 o   37.210   3.7756   11.057   2.1742   12.035   3.0581   10.056   3.0917   38.558   5.1853   35.040   5.8270 3.517658 7.800087 
1 1 1   11   11   17 o   18.198   6.0302   2.5390   2.0066   3.4132   2.9427   1.7793   2.7432   21.311   7.3032   17.932   6.9064 3.378267 10.05157 
1 1 1   11   11   18 o   62.421   2.3672   30.745   2.3146   33.081   3.3385   28.582   3.2119   64.585   3.3050   59.997   3.4255 4.588020 4.759948 
1 1 1   11   11   19 o   57.088   2.5423   25.776   2.2719   24.308   3.2384   27.198   3.1882   55.175   3.7626   58.443   3.4921 -3.268757 5.133415 
1 1 1   11   11   20 o   89.115   2.3682   62.759   3.3090   58.588   4.1311   70.226   5.5274   85.893   3.0697   93.771   3.7638 -7.878059 4.856903 
1 1 1   11   11   21 o   44.393   3.0874   15.740   2.1374   12.707   3.0170   18.797   3.0287   39.282   5.0077   48.245   4.0373 -8.962845 6.432510 
1 1 1   11   11   22 o   20.076   6.1519   3.3963   2.1211   1.8494   2.8625   5.2798   3.1586   17.843   7.0031   24.602   7.5012 -6.758471 10.26213 
1 1 1   11   11   23 o   44.922   3.0501   16.189   2.1375   14.545   3.0313   17.814   3.0144   41.948   4.6846   46.709   4.1558 -4.760433 6.262271 
1 1 1   11   11   24 o   16.761   6.1321   2.0818   2.1038   2.3267   2.8809   1.8020   3.0795   18.389   7.0788   17.854   7.1797 0.5343742 10.08252 
1 1 1   11   11   25 o   35.190   3.7959   10.218   2.0631   10.329   2.9767   10.116   2.8621   34.373   5.7193   34.116   5.5354 0.2567635 7.959305 
1 1 1   11   11   26 o   26.103   5.5574   6.1588   2.2066   1.6086   3.1148   10.743   3.1264   16.914   7.0558   34.336   6.0217 -17.42165 9.276002 
1 1 1   11   11   27 o   13.314   5.6920   0.5986   2.1100  -1.9807   2.9889   3.1609   2.9791   12.470   5.8795   18.659   7.1943 -6.188698 9.291205 
1 1 1   11   11   28 o   11.525   5.1206  -0.0720   1.8544   0.5346   2.6432  -0.6600   2.6023   14.063   6.1868   12.619   5.7887 1.444588 8.472671 
1 1 1   11   11   29 o   26.278   4.7168   6.3357   1.8737   2.6160   2.6641   9.9764   2.6357   16.834   6.7088   32.464   5.3604 -15.62993 8.587299 
1 1 1   11   11   30 o   10.427   4.7770  -0.3582   1.7643   0.7402   2.6568  -1.2247   2.3598   13.424   6.0347   10.914   5.1693 2.510084 7.945986 
1 1 1   11   12    0 o  220.059   2.4079  380.197   8.3133  380.197   8.3133  380.197   8.3133  220.059   2.4079  220.059   2.4079 0.000000 0.000000 
1 1 1   11   12    1 o  221.394   1.6022  384.676   5.5666  381.020   7.8772  388.324   7.8676  220.317   2.2783  222.420   2.2540 -2.102753 3.204926 
1 1 1   11   12    2 o  138.675   1.7048  150.930   3.7101  154.854   5.3066  147.179   5.1891  140.450   2.4076  136.925   2.4149 3.525040 3.410048 
1 1 1   11   12    3 o  198.179   1.6449  308.242   5.1158  311.969   7.0460  304.088   7.4396  199.353   2.2522  196.812   2.4088 2.540222 3.297673 
1 1 1   11   12    4 o  262.491   1.6287  540.772   6.7091  529.940   9.4403  551.826   9.5367  259.816   2.3153  265.128   2.2921 -5.312164 3.258005 
1 1 1   11   12    5 o   98.518   1.9188   76.186   2.9665   79.094   4.2446   73.410   4.1478  100.325   2.6984   96.648   2.7375 3.677116 3.843888 
1 1 1   11   12    6 o   39.972   3.6855   12.665   2.2858   13.153   3.2538   12.189   3.2120   40.540   5.2366   38.976   5.3959 1.564068 7.519111 
1 1 1   11   12    7 o   85.540   2.1337   57.453   2.8642   55.665   4.0306   59.276   4.0708   84.113   3.0586   86.806   2.9928 -2.693069 4.279202 
1 1 1   11   12    8 o   43.765   4.1260   15.208   2.8003   14.747   3.9130   15.692   4.0091   42.807   5.9887   44.191   5.9307 -1.384075 8.428336 
1 1 1   11   12    9 f   87.863   2.0601   60.630   2.8405   65.722   4.1060   55.956   3.9337   91.394   2.8664   84.313   2.9777 7.080231 4.133119 
1 1 1   11   12   10 o   33.154   4.6295   8.8358   2.3431   7.6856   3.2116   10.145   3.4259   30.525   6.8706   35.242   6.4315 -4.716043 9.411159 
1 1 1   11   12   11 o   76.798   2.0978   46.371   2.5258   48.284   3.6679   44.645   3.4834   78.287   2.9910   75.279   2.9544 3.008171 4.204101 
1 1 1   11   12   12 o  220.298   1.5608  381.106   5.3960  385.558   7.7353  376.886   7.5310  221.489   2.2255  218.989   2.1914 2.499649 3.123285 
1 1 1   11   12   13 o   90.715   1.9017   64.661   2.7072   64.856   3.8844   64.477   3.7751   90.744   2.7308   90.487   2.6614 0.2571411 3.813166 
1 1 1   11   12   14 o  125.908   1.6515  124.544   3.2633  121.758   4.6315  127.290   4.5986  124.411   2.3722  127.215   2.3035 -2.803856 3.306562 
1 1 1   11   12   15 o   59.356   2.4362   27.776   2.2645   27.140   3.2523   28.375   3.1548   58.514   3.5587   59.865   3.3718 -1.351204 4.902355 
1 1 1   11   12   16 o   46.548   3.0306   17.166   2.2018   16.690   3.1645   17.612   3.0653   45.636   4.4762   46.948   4.2051 -1.311287 6.141596 
1 1 1   11   12   17 o   17.113   6.0347   2.0875   2.0165   2.8761   2.9125   1.3614   2.7946   20.191   7.2388   17.300   6.8788 2.890795 9.985861 
1 1 1   11   12   18 o   81.736   2.1930   52.678   2.8104   51.699   3.9760   53.655   3.9732   80.766   3.1430   82.297   3.0819 -1.531197 4.401832 
1 1 1   11   12   19 o   35.965   4.1545   10.465   2.3018   9.7997   3.2355   11.148   3.2752   34.155   6.2675   36.606   5.9019 -2.451973 8.608945 
1 1 1   11   12   20 o   42.962   3.9577   14.895   2.6384   16.956   3.7719   12.920   3.6918   45.349   5.4065   39.200   6.2079 6.148384 8.232174 
1 1 1   11   12   21 o   38.702   3.7082   12.104   2.2247   15.306   3.2528   9.2912   3.0494   43.132   4.8919   33.028   6.1083 10.10410 7.825782 
1 1 1   11   12   22 f   24.103   5.8836   5.0201   2.2057   8.4212   2.9604   0.7765   3.3068   31.213   6.2618   17.070   7.2046 14.14277 9.545501 
1 1 1   11   12   23 o   19.102   6.1542   3.0712   2.0969   6.1466   2.9554  -0.0462   2.9755   26.183   7.0409   15.194   6.6272 10.98845 9.669273 
1 1 1   11   12   24 o   17.280   6.3787   2.2443   2.2846   5.2749   3.1586  -1.0809   3.3085   24.003   7.5326   14.678   6.6533 9.325123 10.05019 
1 1 1   11   12   25 o   32.996   4.4209   9.2288   2.2317   16.220   3.2583   3.0514   3.0628   43.576   4.8466   19.330   7.3336 24.24626 8.790446 
1 1 1   11   12   26 o   13.876   5.8052   0.8600   2.1178   0.7326   3.0425   0.9797   2.9497   15.463   6.7235   15.615   6.7040 -0.1524858 9.494674 
1 1 1   11   12   27 o   12.429   5.4821   0.0994   2.0881  -0.3060   2.9798   0.4905   2.9269   13.854   6.2935   14.626   6.4692 -0.7720242 9.025393 
1 1 1   11   12   28 o   31.405   4.7527   8.9286   2.2691   7.5022   3.1383   10.491   3.2848   26.258   7.3350   32.049   6.7450 -5.791374 9.964801 
1 1 1   11   12   29 o   10.714   4.9083  -0.5114   1.8626   4.1796   2.6758  -4.9209   2.5943   19.329   6.9374   9.2218   4.5861 10.10692 8.316233 
1 1 1   11   12   30 o   11.987   5.1854   0.7967   1.7909  -1.0879   2.5594   2.6048   2.5069   11.251   5.3445   15.507   6.3865 -4.256490 8.327746 
1 1 1   11   13    0 o  393.894   2.7034  1218.06   16.709  1218.06   16.709  1218.06   16.709  393.894   2.7034  393.894   2.7034 0.000000 0.000000 
1 1 1   11   13    1 o  194.292   1.6144  296.288   4.9224  305.668   7.0154  287.191   6.9084  197.317   2.2656  191.258   2.3017 6.058182 3.229664 
1 1 1   11   13    2 o  205.577   1.7124  331.720   5.5245  331.527   7.7734  331.918   7.8528  205.483   2.4106  205.603   2.4338 -0.1197205 3.425558 
1 1 1   11   13    3 o  260.255   1.7561  531.670   7.1721  530.800   10.087  532.559   10.199  259.994   2.4723  260.422   2.4956 -0.4286804 3.512938 
1 1 1   11   13    4 o  247.429   1.7985  480.582   6.9836  474.352   9.4706  488.008   10.339  245.773   2.4555  249.270   2.6430 -3.496689 3.607610 
1 1 1   11   13    5 o  244.344   1.8037  468.705   6.9161  476.275   9.4818  460.098   10.110  246.257   2.4536  242.019   2.6619 4.238129 3.620205 
1 1 1   11   13    6 o  108.978   1.9093   93.247   3.2653   87.893   4.4892   99.263   4.7583  105.733   2.7077  112.401   2.6976 -6.668144 3.822151 
1 1 1   11   13    7 o   19.374   6.3993   2.8300   2.2603   1.6633   3.1630   4.0475   3.2311   18.802   7.3669   23.127   7.6516 -4.325825 10.62159 
1 1 1   11   13    8 o   73.178   2.4527   42.125   2.8127   41.016   3.8244   43.432   4.1511   72.124   3.3884   74.202   3.5754 -2.077667 4.925865 
1 1 1   11   13    9 o  107.602   1.9215   90.936   3.2447   93.802   4.5826   88.056   4.5947  109.234   2.6733  105.792   2.7700 3.441696 3.849551 
1 1 1   11   13   10 o  156.488   1.8621  192.347   4.5728  188.447   5.8912  198.259   7.2532  154.838   2.4245  158.757   2.9113 -3.918991 3.788641 
1 1 1   11   13   11 o   74.127   2.4540   43.250   2.8507   41.796   4.0589   44.666   4.0046   72.741   3.5665   75.225   3.4011 -2.483513 4.928249 
1 1 1   11   13   12 o  130.761   1.8961  134.352   3.8908  135.341   5.5766  133.414   5.4311  131.145   2.7096  130.215   2.6578 0.9300842 3.795491 
1 1 1   11   13   13 o   81.799   2.3103   52.670   2.9627   53.332   4.2231   52.028   4.1574   82.179   3.2812   81.168   3.2705 1.010757 4.632792 
1 1 1   11   13   14 o   55.617   2.9717   24.451   2.5843   27.493   3.7201   21.614   3.5926   58.807   4.0559   52.035   4.4419 6.771618 6.015105 
1 1 1   11   13   15 o   73.429   2.4857   42.509   2.8602   38.818   4.0787   46.080   4.0121   69.953   3.7289   76.308   3.3587 -6.354988 5.018483 
1 1 1   11   13   16 o  102.009   2.0644   81.886   3.3048   83.276   4.7681   80.600   4.5846  102.672   2.9624  101.023   2.8949 1.649406 4.141977 
1 1 1   11   13   17 o   56.603   2.9942   25.395   2.6502   19.424   3.7561   31.314   3.7398   49.025   4.9498   62.683   3.8200 -13.65739 6.252418 
1 1 1   11   13   18 o   23.506   6.3492   4.6649   2.3968   0.9166   3.4018   8.3600   3.3776   17.821   7.3989   31.296   7.0473 -13.47526 10.21797 
1 1 1   11   13   19 o   43.957   3.9714   15.574   2.7101   13.029   4.0687   17.603   3.6333   39.144   6.8742   46.384   5.0741 -7.240501 8.544090 
1 1 1   11   13   20 o   12.607   5.7597  -1.4482   2.5411  -1.5490   3.7279  -1.3607   3.4729   15.604   7.0689   15.181   6.8551 0.4237490 9.846906 
1 1 1   11   13   21 o   9.4928   4.6742  -4.9550   2.4612  -1.8246   3.4781  -8.0945   3.4831   14.667   6.7148   10.697   5.3187 3.970164 8.565997 
1 1 1   11   13   22 o   20.492   7.8514   2.9845   3.5326   7.8640   5.2421  -1.0748   4.7813   28.951   9.7498   17.913   8.0703 11.03835 12.65651 
1 1 1   11   13   23 o   14.865   6.3857   0.3035   2.6793   2.9359   3.8025  -2.2921   3.7759   20.509   8.0649   14.723   6.8315 5.786264 10.56934 
1 1 1   11   13   24 o   11.099   5.3145  -3.1048   2.6374  -7.8209   3.6552   2.0175   3.8094   11.012   5.4709   18.933   7.8422 -7.920770 9.561929 
1 1 1   11   13   25 o   14.958   6.1555   1.1866   2.3264  -1.5644   3.2690   4.0096   3.3114   13.706   6.3585   20.798   7.6790 -7.091915 9.969864 
1 1 1   11   13   26 o   15.441   6.2254   1.6575   2.3219   3.8892   3.3152  -0.4912   3.2530   19.986   7.6185   14.326   6.5339 5.660231 10.03664 
1 1 1   11   13   27 f   13.110   5.7085   0.4689   2.1997   5.2355   3.0597  -4.6302   3.1646   21.934   7.4483   10.916   5.3602 11.01770 9.176587 
1 1 1   11   13   28 o   18.139   6.1876   3.3129   2.1119   6.4372   3.0284   0.3552   2.9465   23.932   7.3541   14.131   6.3537 9.800938 9.718612 
1 1 1   11   13   29 o   14.979   5.8812   2.1567   2.0194   1.7315   2.8743   2.5711   2.8378   14.935   6.5139   16.030   6.7141 -1.094625 9.354663 
1 1 1   11   13   30 o   12.353   5.5173   0.7530   2.1821  -2.9291   3.0906   4.4130   3.0813   10.791   5.2983   17.708   7.1601 -6.917310 8.907247 
1 1 1   11   14    0 f  110.773   3.2944   96.621   5.7155   96.621   5.7155   96.621   5.7155  110.773   3.2944  110.773   3.2944 0.000000 0.000000 
1 1 1   11   14    1 o  187.421   1.7588  275.760   5.1729  276.526   7.3382  275.003   7.2931  187.633   2.4921  187.116   2.4837 0.5169220 3.518450 
1 1 1   11   14    2 o   28.810   5.9027   6.7884   2.5789   8.7502   3.7583   5.0428   3.5452   32.598   7.5025   25.367   7.9830 7.230215 10.95517 
1 1 1   11   14    3 o  161.974   1.8643  205.988   4.7388  201.981   7.0172  209.348   6.4252  160.328   2.7890  163.248   2.5080 -2.919922 3.750829 
1 1 1   11   14    4 o  376.724   1.9479  1114.42   11.516  1130.02   17.002  1101.20   15.654  379.186   2.8572  374.360   2.6645 4.825989 3.906783 
1 1 1   11   14    5 o   13.529   5.9544  -0.6831   2.4508   2.2050   3.2223  -4.6469   3.7750   19.792   7.5190   13.694   6.5009 6.098342 9.939710 
1 1 1   11   14    6 o  181.687   1.6160  259.175   4.6076  255.179   6.4956  263.221   6.5370  180.224   2.2967  183.044   2.2757 -2.819916 3.233184 
1 1 1   11   14    7 o  175.691   1.6077  242.362   4.4327  251.965   6.4079  233.549   6.1383  179.077   2.2802  172.410   2.2687 6.667221 3.216572 
1 1 1   11   14    8 f   82.639   2.1312   53.691   2.7616   50.944   3.9210   56.394   3.8900   80.406   3.1133   84.623   2.9337 -4.216560 4.277790 
1 1 1   11   14    9 o   45.221   3.2368   16.180   2.2818   14.205   3.2318   18.144   3.2222   42.096   4.9890   47.751   4.3475 -5.654953 6.617536 
1 1 1   11   14   10 o   84.841   2.0764   56.566   2.7645   54.185   3.9009   58.969   3.9185   82.912   3.0030   86.514   2.8903 -3.601639 4.167914 
1 1 1   11   14   11 o  163.983   1.6303  211.224   4.1954  207.069   5.9719  215.273   5.8951  162.269   2.3452  165.464   2.2703 -3.194931 3.264043 
1 1 1   11   14   12 o   93.330   1.9544   68.467   2.8625   71.229   4.1079   65.861   3.9910   95.070   2.7563   91.411   2.7854 3.659470 3.918628 
1 1 1   11   14   13 o   34.624   4.1652   9.6250   2.2178   10.334   3.1882   8.9598   3.0871   35.514   5.9295   32.953   6.1971 2.561630 8.576874 
1 1 1   11   14   14 o   90.117   2.0903   63.888   2.9562   68.001   4.5057   60.779   3.9171   92.779   3.0990   87.755   2.8481 5.024147 4.208977 
1 1 1   11   14   15 o   78.848   2.3372   49.005   2.8888   52.431   4.2896   46.162   3.9078   81.364   3.3668   76.358   3.2687 5.006775 4.692531 
1 1 1   11   14   16 o   55.152   3.0051   24.111   2.5911   22.978   3.8378   25.060   3.5125   53.466   4.6192   56.009   4.0230 -2.542461 6.125506 
1 1 1   11   14   17 o   47.726   3.3911   18.162   2.5233   21.571   3.6989   15.194   3.4509   51.704   4.6068   43.151   5.2009 8.553886 6.947800 
1 1 1   11   14   18 o   58.129   2.7030   26.799   2.4590   25.432   3.5193   28.104   3.4372   56.261   4.0124   59.253   3.7151 -2.992378 5.468180 
1 1 1   11   14   19 f   44.288   3.3192   15.713   2.2901   13.283   3.2635   18.070   3.2145   40.045   5.3250   47.163   4.3937 -7.118591 6.903655 
1 1 1   11   14   20 o   27.855   5.2245   6.5420   2.1999   10.305   3.1190   2.8164   3.1033   34.847   5.9148   19.859   7.4146 14.98760 9.484771 
1 1 1   11   14   21 o   12.469   5.5362  -0.5336   2.1638   2.3038   3.1204  -3.1614   3.0030   18.891   7.3414   12.263   5.8149 6.628089 9.365360 
1 1 1   11   14   22 o   27.257   6.8065   6.6540   2.9024   4.8299   3.9469   8.8020   4.2830   23.652   8.4328   30.527   8.5838 -6.874849 12.03305 
1 1 1   11   14   23 o   9.4574   4.5859  -3.2299   2.1171  -3.4456   3.0003  -3.0161   2.9876   11.876   5.6816   12.164   5.7771 -0.2878571 8.102781 
1 1 1   11   14   24 o   23.607   5.9687   5.0929   2.2121   4.9571   3.0779   5.2380   3.1815   22.777   7.4648   23.308   7.5863 -0.5312443 10.64306 
1 1 1   11   14   25 o   15.398   6.2193   1.5579   2.3220  -0.8923   3.2863   4.0004   3.2812   14.153   6.4971   20.410   7.6233 -6.257989 10.01635 
1 1 1   11   14   26 o   17.711   6.4071   2.9529   2.2878   1.2485   3.2093   4.7140   3.2621   15.907   6.9111   21.040   7.6453 -5.133346 10.30596 
1 1 1   11   14   27 o   40.622   3.5259   14.039   2.2255   12.984   3.1740   15.059   3.1213   36.955   5.6523   40.558   5.0103 -3.603195 7.553243 
1 1 1   11   14   28 o   19.790   6.0653   4.0905   2.0617   8.2694   2.9925   0.3150   2.8444   27.402   6.9497   13.683   6.1891 13.71840 9.306101 
1 1 1   11   14   29 o   9.6013   4.5755  -1.3411   1.9062  -2.6189   2.6717  -0.0163   2.7205   10.362   5.0533   12.482   5.7940 -2.119642 7.688016 
1 1 1   11   15    0 o   90.460   2.9558   64.478   4.1859   64.478   4.1859   64.478   4.1859   90.460   2.9558   90.460   2.9558 0.000000 0.000000 
1 1 1   11   15    1 o   61.604   2.6385   29.880   2.5449   28.198   3.6006   31.560   3.5975   59.721   3.8626   63.220   3.6415 -3.498249 5.308456 
1 1 1   11   15    2 o   85.947   2.1550   58.061   2.9043   54.225   4.0377   62.174   4.1805   82.978   3.1062   88.871   3.0018 -5.892769 4.319695 
1 1 1   11   15    3 o  144.706   1.7207  164.423   3.9075  159.932   5.4873  169.042   5.5657  142.663   2.4510  146.673   2.4181 -4.009720 3.442999 
1 1 1   11   15    4 o  131.577   1.7635  135.951   3.6414  134.260   5.1465  137.645   5.1530  130.703   2.5091  132.343   2.4811 -1.639542 3.528687 
1 1 1   11   15    5 o  164.369   1.8857  212.195   4.8640  215.146   6.6606  208.823   7.1197  165.440   2.5655  162.965   2.7840 2.475235 3.785769 
1 1 1   11   15    6 o   70.031   2.6295   38.614   2.8847   36.071   4.1058   41.093   4.0539   67.542   3.8900   72.144   3.5920 -4.601707 5.294787 
1 1 1   11   15    7 o   25.268   6.2724   5.2701   2.4756   5.3619   3.5991   5.1877   3.4106   25.903   8.0271   25.437   7.8021 0.4660416 11.19408 
1 1 1   11   15    8 o   16.667   6.4849   1.3861   2.4371   0.5025   3.4697   2.2464   3.4239   17.757   7.4299   20.163   7.7285 -2.406792 10.72069 
1 1 1   11   15    9 o   53.481   3.2311   22.615   2.6992   26.316   3.9295   19.308   3.7141   57.536   4.3850   49.145   4.8801 8.390892 6.560756 
1 1 1   11   15   10 o   70.442   2.7733   39.123   3.0598   43.563   4.5372   35.420   4.1439   74.166   3.9121   66.845   3.9681 7.320305 5.572338 
1 1 1   11   15   11 o   65.290   2.6927   33.622   2.7530   35.823   4.0511   31.734   3.7526   67.218   3.8567   63.262   3.7974 3.955685 5.412377 
1 1 1   11   15   12 o   36.725   4.3312   10.833   2.4482   9.9547   3.6033   11.587   3.3366   34.605   6.8775   37.664   5.8335 -3.058701 9.018314 
1 1 1   11   15   13 o   48.437   3.1591   18.597   2.3882   20.456   3.3882   16.763   3.3667   50.598   4.3080   45.669   4.7678 4.929066 6.425760 
1 1 1   11   15   14 o   52.918   2.8908   22.164   2.3915   21.454   3.4327   22.833   3.3337   51.800   4.2605   53.507   3.9991 -1.707432 5.843315 
1 1 1   11   15   15 o   30.503   4.8492   7.6121   2.2437   11.403   3.2871   4.3057   3.0700   37.205   5.8205   23.107   7.4467 14.09876 9.451562 
1 1 1   11   15   16 o   54.630   2.8955   23.673   2.4735   21.920   3.5648   25.302   3.4350   52.192   4.3931   56.237   3.9167 -4.044689 5.885572 
1 1 1   11   15   17 o   47.888   3.2060   18.289   2.3954   17.530   3.3933   19.043   3.3820   46.443   4.7214   48.500   4.4946 -2.056717 6.518628 
1 1 1   11   15   18 o   45.656   3.3936   16.702   2.4141   18.772   3.4444   14.704   3.3844   48.005   4.6295   42.220   5.2191 5.784462 6.976463 
1 1 1   11   15   19 o   21.026   6.2647   3.7603   2.2216   2.3994   3.1447   5.1162   3.1389   19.236   7.3981   24.285   7.4914 -5.049551 10.52870 
1 1 1   11   15   20 o   33.940   4.5117   9.5208   2.3435   9.9419   3.2950   9.0897   3.3338   33.873   6.4340   32.181   6.8140 1.691841 9.371555 
1 1 1   11   15   21 o   58.460   2.7894   27.320   2.5516   29.487   3.6640   25.279   3.5555   60.220   3.8981   55.635   4.1012 4.584797 5.658214 
1 1 1   11   15   22 o   29.001   5.6724   7.3331   2.4891   9.0899   3.4520   5.4305   3.5924   31.544   7.1403   24.308   8.0691 7.236143 10.77472 
1 1 1   11   15   23 o   36.172   4.1317   10.934   2.3033   8.8590   3.2971   12.912   3.2190   30.847   6.9752   38.507   5.4815 -7.660398 8.871323 
1 1 1   11   15   24 o   22.066   6.1956   4.5900   2.2330   5.4464   3.1707   3.7473   3.1452   23.300   7.5727   20.138   7.4750 3.161491 10.64050 
1 1 1   11   15   25 o   11.733   5.3496  -0.6585   2.1786   2.1396   3.0933  -3.4124   3.0688   17.065   7.0676   11.551   5.5821 5.513964 9.006130 
1 1 1   11   15   26 o   37.627   3.9512   12.257   2.2984   11.939   3.2641   12.571   3.2368   34.949   6.1774   36.176   5.9050 -1.227493 8.545748 
1 1 1   11   15   27 o   10.189   4.8250  -1.5634   2.0541   0.6400   2.9449  -3.6511   2.8666   14.381   6.4171   10.652   5.2033 3.728691 8.261535 
1 1 1   11   15   28 o   11.385   5.2574  -0.4111   2.1971  -0.2853   3.1224  -0.5346   3.0921   13.097   6.1222   12.846   6.0326 0.2516212 8.594963 
1 1 1   11   15   29 o   9.8593   4.7126  -1.3064   2.0543  -1.1718   3.0731  -1.4151   2.7622   11.803   5.6740   11.156   5.3669 0.6476517 7.810154 
1 1 1   11   16    0 o   36.444   6.6038   11.445   3.4093   11.445   3.4093   11.445   3.4093   36.444   6.6038   36.444   6.6038 0.000000 0.000000 
1 1 1   11   16    1 o   40.285   3.9213   12.909   2.4477   15.815   3.4874   10.089   3.4363   44.445   5.0917   35.108   6.4755 9.337372 8.237557 
1 1 1   11   16    2 o   29.034   5.4073   6.8816   2.3732   10.714   3.3935   3.2139   3.3200   36.259   6.1856   21.644   7.7322 14.61469 9.901977 
1 1 1   11   16    3 o   52.416   3.1028   21.696   2.5408   19.036   3.6034   24.326   3.5832   48.861   4.7596   55.382   4.1531 -6.520687 6.316839 
1 1 1   11   16    4 o  208.360   1.7720  340.986   5.7942  342.578   8.2878  339.463   8.1037  208.738   2.5301  207.795   2.4851 0.9436035 3.546399 
1 1 1   11   16    5 o   13.663   6.2710  -2.1838   3.0594  -0.8678   4.4116  -3.4032   4.2466   18.375   8.0409   15.760   7.2889 2.615111 10.85283 
1 1 1   11   16    6 o   92.539   2.2410   67.315   3.2545   65.418   4.5926   69.229   4.6126   91.083   3.2181   93.712   3.1409 -2.629807 4.496810 
1 1 1   11   16    7 o  104.069   2.0864   85.125   3.4074   86.099   4.8823   84.199   4.7577  104.529   2.9794  103.375   2.9357 1.154236 4.182718 
1 1 1   11   16    8 o   17.764   6.6077   1.9553   2.4601  -0.3400   3.3183   4.7567   3.6660   16.308   7.0566   24.745   8.1487 -8.437057 10.77949 
1 1 1   11   16    9 o   67.364   2.5036   35.760   2.6421   34.632   3.7600   36.860   3.7134   66.133   3.6370   68.259   3.4781 -2.125984 5.032380 
1 1 1   11   16   10 o   77.108   2.3321   46.826   2.8187   49.837   4.0124   43.892   3.9607   79.418   3.2261   74.493   3.3970 4.924461 4.684783 
1 1 1   11   16   11 o   88.385   2.1476   61.458   2.9787   64.684   4.2628   58.381   4.1640   90.512   3.0053   85.968   3.0916 4.543678 4.311578 
1 1 1   11   16   12 o   78.360   2.2744   48.378   2.7939   52.219   4.0240   44.803   3.8823   81.262   3.1615   75.236   3.2962 6.025978 4.567267 
1 1 1   11   16   13 o   28.470   5.9352   6.7480   2.5657   7.9864   3.6503   5.5387   3.6071   30.692   7.6153   25.933   8.0360 4.758734 11.07112 
1 1 1   11   16   14 o   35.664   4.8462   10.350   2.6422   10.289   3.8020   10.406   3.6745   34.888   7.1837   35.174   6.9034 -0.2856674 9.963102 
1 1 1   11   16   15 o   46.959   3.9403   17.686   2.8770   18.808   4.1389   16.636   4.0018   47.924   5.6094   44.969   5.8061 2.954895 8.073140 
1 1 1   11   16   16 o   17.787   6.7586   1.9756   2.6038   1.2016   3.6784   2.7529   3.6863   18.669   7.7170   20.867   8.0139 -2.198313 11.12541 
1 1 1   11   16   17 f   52.837   3.3321   22.325   2.7488   24.132   3.7336   20.186   4.0619   54.572   4.3968   49.518   5.3100 5.054234 6.894024 
1 1 1   11   16   18 o   13.380   5.9057  -0.4819   2.4271  -2.4914   3.3261   1.8068   3.5496   13.742   6.3885   19.013   7.6860 -5.270249 9.994357 
1 1 1   11   16   19 f   26.882   6.1243   6.2686   2.5258   8.9900   3.4505   3.1273   3.7072   31.895   7.0787   21.037   8.0473 10.85797 10.71762 
1 1 1   11   16   20 o   25.613   6.3342   5.7803   2.5316   7.9031   3.4368   3.2618   3.7434   29.538   7.4238   21.101   8.0828 8.437351 10.97471 
1 1 1   11   16   21 o   31.772   5.3920   8.6673   2.5924   5.8390   3.5207   12.017   3.8314   25.143   7.9609   36.615   6.9216 -11.47175 10.54913 
1 1 1   11   16   22 o   9.6186   4.7365  -4.8327   2.5286  -7.8240   3.3585  -0.9181   3.8419   10.310   5.1420   15.798   7.1645 -5.487944 8.818711 
1 1 1   11   16   23 o   11.620   5.4267  -1.6613   2.4441   0.5999   3.3105  -4.3705   3.6236   15.958   6.9748   12.474   6.0371 3.484295 9.224662 
1 1 1   11   16   24 o   18.424   6.6859   3.1500   2.4938   2.8470   3.4200   3.4940   3.6440   18.498   7.5200   19.554   7.8282 -1.055834 10.85501 
1 1 1   11   16   25 o   17.149   6.5485   2.6889   2.4520   2.4290   3.3685   2.9817   3.5760   17.422   7.3074   18.289   7.5889 -0.8674717 10.53515 
1 1 1   11   16   26 o   18.343   6.6057   3.4279   2.4284  -0.5166   3.2717   8.2671   3.6238   13.845   6.4013   26.470   8.0273 -12.62467 10.26712 
1 1 1   11   16   27 o   10.166   4.8917  -2.1604   2.2969  -2.4471   3.0992  -1.8109   3.4213   11.698   5.6421   12.690   6.0701 -0.9925079 8.287312 
1 1 1   11   16   28 o   12.727   5.7267   0.7344   2.3988   1.9376   3.2669  -0.6732   3.5334   14.819   6.6742   12.900   6.1701 1.918882 9.089308 
1 1 1   11   17    0 o   52.474   6.3505   22.682   5.0260   22.682   5.0260   22.682   5.0260   52.474   6.3505   52.474   6.3505 0.000000 0.000000 
1 1 1   11   17    1 o   40.458   5.6300   13.231   3.4779   12.810   4.9402   13.644   4.8970   39.221   8.2864   40.572   7.9758 -1.350616 11.50120 
1 1 1   11   17    2 o   38.902   5.2075   12.200   3.0994   12.777   4.3551   11.608   4.4118   39.369   7.3185   37.388   7.7731 1.980583 10.67623 
1 1 1   11   17    3 o   29.256   6.1292   7.0592   2.7238   3.1808   3.8469   10.958   3.8571   22.328   8.2707   36.450   6.9974 -14.12266 10.83362 
1 1 1   11   17    4 o   39.241   4.5033   12.335   2.7230   12.195   3.8604   12.474   3.8415   38.575   6.6151   39.051   6.4966 -0.4761620 9.271758 
1 1 1   11   17    5 f   51.845   3.7453   21.322   3.0266   24.278   4.9652   19.575   3.8180   54.936   5.8491   49.448   4.9883 5.488213 7.687346 
1 1 1   11   17    6 o   78.673   2.4430   48.741   3.0126   46.605   4.3515   50.707   4.1748   76.761   3.6226   80.124   3.3274 -3.363068 4.918858 
1 1 1   11   17    7 o   62.582   2.9390   30.926   2.8784   27.925   4.1373   33.740   4.0070   59.206   4.4863   65.217   3.9335 -6.010948 5.966551 
1 1 1   11   17    8 o   84.415   2.5160   56.146   3.3293   51.721   4.5535   61.229   4.8801   80.839   3.5984   87.981   3.5418 -7.142143 5.049044 
1 1 1   11   17    9 o   41.584   4.0742   13.822   2.6247   13.328   3.8054   14.271   3.6249   40.342   6.2097   41.914   5.6551 -1.572018 8.398888 
1 1 1   11   17   10 o   26.443   6.1804   5.8317   2.5183   6.7756   3.6169   4.9436   3.5085   28.407   7.8517   24.819   7.9572 3.588100 11.17883 
1 1 1   11   17   11 o   39.730   4.2106   12.668   2.5853   11.064   3.7196   14.167   3.5960   36.463   6.7487   41.694   5.6404 -5.231022 8.795417 
1 1 1   11   17   12 o   52.598   3.1719   21.951   2.6059   25.890   3.7751   18.365   3.6017   56.898   4.2587   47.715   4.8786 9.183002 6.475916 
1 1 1   11   17   13 o   46.391   3.5677   17.174   2.5775   19.463   3.6391   14.869   3.6511   49.093   4.7842   42.615   5.5944 6.477711 7.361124 
1 1 1   11   17   14 o   30.706   5.2359   7.7997   2.4326   8.7193   3.5148   6.9541   3.3702   31.922   7.1896   28.449   7.4589 3.472462 10.35979 
1 1 1   11   17   15 o   16.177   6.3508   1.3779   2.3546  -1.2384   3.3690   3.8760   3.2921   15.142   6.8021   22.229   7.7198 -7.086724 10.28904 
1 1 1   11   17   16 f   33.779   4.7209   9.3915   2.4343   10.352   3.4565   8.4460   3.4288   34.804   6.5692   31.151   7.1635 3.652925 9.719588 
1 1 1   11   17   17 o   28.720   5.4511   6.9753   2.3670   5.0108   3.3383   8.9617   3.3568   24.138   7.7639   32.075   6.8755 -7.936144 10.37068 
1 1 1   11   17   18 o   29.990   5.3004   7.6048   2.4033   9.1199   3.4277   6.1399   3.3705   32.163   6.9910   26.212   7.6927 5.951298 10.39484 
1 1 1   11   17   19 o   18.232   6.8576   2.3644   2.6649   1.5983   3.6996   3.1906   3.8419   18.707   7.7367   21.110   8.1618 -2.402237 11.24592 
1 1 1   11   17   20 o   27.628   6.1459   6.7433   2.5958   4.2278   3.7261   9.1154   3.6184   22.388   8.1654   31.522   7.4359 -9.133625 11.04389 
1 1 1   11   17   21 o   17.383   6.6356   2.1888   2.5172   4.2351   3.6290   0.2913   3.4945   22.004   8.0531   16.378   7.1620 5.625366 10.77720 
1 1 1   11   17   22 o   17.416   6.7656   2.2904   2.6494   2.4998   3.8248   2.0973   3.6734   19.090   7.8780   18.403   7.6684 0.6875687 10.99395 
1 1 1   11   17   23 o   13.760   5.9941   0.3888   2.4276  -3.1586   3.4297   3.9505   3.4366   12.627   6.0499   20.286   7.7510 -7.659073 9.832596 
1 1 1   11   17   24 o   17.263   6.5192   2.7252   2.4137   2.4279   3.4490   3.0105   3.3792   17.576   7.3844   18.307   7.4628 -0.7307396 10.49866 
1 1 1   11   17   25 o   18.238   6.5456   3.3497   2.3821   3.9311   3.4027   2.7909   3.3360   19.257   7.6115   17.615   7.3212 1.641981 10.56104 
1 1 1   11   17   26 o   13.041   5.6872   0.6590   2.1905   1.7086   3.1463  -0.3283   3.0515   15.696   6.8309   13.422   6.1975 2.273502 9.223353 
1 1 1   11   17   27 o   19.736   6.2462   4.4843   2.1676   2.6655   3.0575   6.3221   3.0735   15.860   6.8174   21.690   7.4626 -5.829809 10.10777 
1 1 1   11   18    0 o   21.990   9.6664   5.5375   3.4890   5.5375   3.4890   5.5375   3.4890   21.990   9.6664   21.990   9.6664 0.000000 0.000000 
1 1 1   11   18    1 o   41.673   3.9276   13.841   2.5383   9.1918   3.5931   18.472   3.5862   33.244   7.1031   48.033   4.8228 -14.78912 8.585604 
1 1 1   11   18    2 o   78.082   2.3940   48.010   2.9300   48.459   4.1753   47.574   4.1128   78.304   3.4059   77.588   3.3860 0.7160110 4.802617 
1 1 1   11   18    3 o   61.903   2.7919   30.240   2.7052   30.627   3.7927   29.839   3.8596   62.131   3.9097   61.302   4.0344 0.8291130 5.618052 
1 1 1   11   18    4 o   50.479   3.2962   20.185   2.5969   20.568   3.6930   19.811   3.6524   50.714   4.6935   49.756   4.7347 0.9578896 6.666809 
1 1 1   11   18    5 o   14.705   6.2604   0.0581   2.5335  -3.0142   3.4887   3.4864   3.6853   14.065   6.5400   22.486   8.1322 -8.420508 10.43576 
1 1 1   11   18    6 o   54.868   3.3448   23.852   2.8664   24.841   3.9848   22.792   4.1262   55.764   4.5942   53.311   4.9901 2.452972 6.782873 
1 1 1   11   18    7 o   14.416   6.2347  -0.2463   2.5876  -3.3264   3.5906   3.0815   3.7322   14.064   6.5710   21.852   8.1366 -7.788402 10.45862 
1 1 1   11   18    8 o   58.950   3.3751   27.547   3.1093   28.353   4.0928   26.447   4.7816   59.598   4.4072   57.308   5.3797 2.290730 6.954468 
1 1 1   11   18    9 f   39.369   4.4825   12.477   2.7201   9.3216   3.7686   15.909   3.9302   33.249   7.4119   44.180   5.8093 -10.93096 9.417233 
1 1 1   11   18   10 o   40.448   4.1866   13.135   2.6191   11.717   3.8753   14.327   3.5536   37.477   6.8412   41.927   5.5361 -4.449615 8.800576 
1 1 1   11   18   11 o   32.028   5.1029   8.4112   2.4788   12.497   3.5579   4.5576   3.4553   38.915   6.0201   23.895   7.9130 15.02078 9.942709 
1 1 1   11   18   12 o   17.794   6.5605   2.1126   2.4156  -1.6842   3.3815   6.0688   3.4518   14.825   6.7226   26.722   7.7688 -11.89700 10.27360 
1 1 1   11   18   13 o   64.764   2.7494   33.241   2.7880   36.865   3.9804   29.750   3.9062   67.927   3.7486   60.884   4.1124 7.042458 5.564559 
1 1 1   11   18   14 o   53.545   3.1994   22.866   2.6762   19.701   3.7802   26.045   3.7892   49.119   4.9725   56.808   4.2819 -7.688889 6.562063 
1 1 1   11   18   15 o   25.719   6.1396   5.6758   2.4436   5.9820   3.4713   5.3750   3.4403   26.178   7.8384   24.990   7.8640 1.187490 11.10331 
1 1 1   11   18   16 o   19.659   6.5910   3.1370   2.3958   1.2084   3.4121   5.0125   3.3647   17.916   7.4216   24.124   7.7978 -6.207907 10.76505 
1 1 1   11   18   17 o   40.041   4.1878   13.117   2.5926   13.191   3.6880   13.045   3.6454   39.249   6.1927   39.048   6.1524 0.2014732 8.729365 
1 1 1   11   18   18 o   21.032   6.8244   3.7941   2.5756   8.0405   3.6156  -0.5812   3.6700   29.660   7.7008   16.138   7.1849 13.52191 10.53209 
1 1 1   11   18   19 o   45.099   4.7135   16.961   3.2867   15.323   4.6856   18.547   4.6114   41.048   7.5522   45.969   6.5798 -4.921413 10.01642 
1 1 1   11   18   20 o   17.611   6.6770   2.2888   2.5379   5.5812   3.5317  -1.2268   3.6494   24.367   7.9968   15.179   6.9222 9.188401 10.57665 
1 1 1   11   18   21 o   15.909   6.3407   1.6258   2.3799   0.9837   3.3259   2.2997   3.4070   16.579   7.1182   18.421   7.4993 -1.841579 10.33962 
1 1 1   11   18   22 o   15.237   6.3323   1.2863   2.4952  -5.4123   3.3280   9.8867   3.7709   11.104   5.4613   30.971   7.7720 -19.86700 9.498945 
1 1 1   11   18   23 o   14.194   6.0433   0.9395   2.3613  -1.1438   3.3432   3.0133   3.3356   13.736   6.3920   18.360   7.4403 -4.624238 9.808953 
1 1 1   11   18   24 o   11.134   5.3145  -2.1614   2.5932  -2.9497   3.5091  -1.2129   3.8491   12.508   6.0254   14.265   6.7092 -1.757902 9.017669 
1 1 1   11   18   25 o   13.953   6.0664   0.9225   2.4762   3.1918   3.4738  -1.4216   3.5306   17.889   7.4560   13.386   6.3350 4.503048 9.783844 
1 1 1   11   18   26 o   9.6953   4.7133  -2.5336   2.2744  -5.2864   3.3152  -0.0860   3.1261   10.378   5.1650   13.287   6.1823 -2.908568 8.055959 
1 1 1   11   18   27 o   12.611   5.5850   1.0005   2.1886   0.0750   3.1264   1.8898   3.0647   12.758   6.0144   14.370   6.4688 -1.612568 8.832760 
1 1 1   11   19    0 o   34.487   7.5305   10.674   3.5697   10.674   3.5697   10.674   3.5697   34.487   7.5305   34.487   7.5305 0.000000 0.000000 
1 1 1   11   19    1 o   62.867   2.8642   31.218   2.8183   34.040   3.9542   28.305   4.0181   65.480   3.8652   59.597   4.3257 5.882633 5.800986 
1 1 1   11   19    2 o   56.514   3.1080   25.273   2.7458   28.498   3.9449   22.243   3.8242   59.817   4.2298   52.717   4.6709 7.099873 6.301425 
1 1 1   11   19    3 o   62.681   2.8746   31.040   2.8200   34.315   4.0195   27.867   3.9574   65.724   3.9149   59.126   4.2943 6.597858 5.810972 
1 1 1   11   19    4 o   57.280   3.0718   25.964   2.7511   26.159   3.8582   25.762   3.9240   57.260   4.3257   56.797   4.4377 0.4632835 6.197178 
1 1 1   11   19    5 f   14.049   6.0693  -0.2091   2.4469   4.1370   3.4966  -4.3796   3.4253   23.305   7.9616   12.826   6.1182 10.47879 10.04088 
1 1 1   11   19    6 o   21.349   6.6555   3.6703   2.4701   4.7430   3.5504   2.6641   3.4387   24.442   8.0177   20.672   7.7867 3.770502 11.17665 
1 1 1   11   19    7 o   30.425   5.8294   7.6686   2.6820   12.618   4.1015   3.9716   3.5449   38.913   6.9726   23.011   8.0097 15.90218 10.61940 
1 1 1   11   19    8 o   17.639   6.8880   1.6238   2.7575  -1.1713   3.8458   4.5809   3.9558   16.555   7.3636   24.453   8.4639 -7.898811 11.21875 
1 1 1   11   19    9 o   68.788   2.7005   37.410   2.9095   39.368   4.1239   35.468   4.1056   70.327   3.7502   66.693   3.9403 3.634041 5.439623 
1 1 1   11   19   10 o   35.607   4.7244   10.319   2.5748   14.848   3.6662   5.9112   3.6169   42.544   5.6293   26.474   8.0177 16.07009 9.796535 
1 1 1   11   19   11 o   32.269   5.2011   8.5949   2.5443   11.663   3.6152   5.5835   3.5815   37.298   6.4072   25.741   8.0125 11.55666 10.25931 
1 1 1   11   19   12 o   23.531   6.9012   4.6950   2.7134   2.0306   3.6988   7.7995   3.9927   19.817   7.9026   29.834   8.2507 -10.01692 11.42476 
1 1 1   11   19   13 o   22.006   7.2838   3.9715   2.9278   4.1958   3.9697   3.7038   4.3354   23.336   8.4402   22.986   8.7241 0.3501549 12.13868 
1 1 1   11   19   14 f   60.664   3.4014   29.473   3.2252   29.876   4.4261   29.018   4.7092   60.530   4.6963   59.452   5.0966 1.078281 6.930393 
1 1 1   11   19   15 o   16.603   6.8273   1.0856   2.8592   5.7693   3.9929  -3.8435   4.0962   25.670   8.5065   14.523   6.8581 11.14727 10.92671 
1 1 1   11   19   16 f   51.481   3.7690   21.465   3.0239   25.147   4.1273   17.199   4.4428   55.219   4.8109   44.677   6.5296 10.54179 8.110521 
1 1 1   11   19   17 o   16.432   6.6247   1.3823   2.6291   0.3180   3.6660   2.5094   3.7726   17.065   7.4005   19.999   7.9790 -2.933937 10.88261 
1 1 1   11   19   18 o   17.767   6.5948   2.3549   2.4481   1.6715   3.4026   3.0883   3.5249   18.128   7.4504   20.366   7.8327 -2.238213 10.81016 
1 1 1   11   19   19 o   21.723   6.7268   4.2659   2.5280   6.7907   3.5882   1.7775   3.5623   26.624   7.9688   18.298   7.5819 8.325962 10.99936 
1 1 1   11   19   20 o   10.278   4.9533  -3.0736   2.3777  -3.5412   3.3090  -2.5744   3.4189   12.381   5.9349   13.327   6.2850 -0.9462805 8.644300 
1 1 1   11   19   21 o   12.780   5.8213  -0.7309   2.5712   3.7816   3.9884  -3.9399   3.3635   20.406   8.1829   12.030   5.8206 8.376865 10.04187 
1 1 1   11   19   22 o   21.172   6.7611   4.5543   2.5349   7.3795   3.4356   1.1783   3.7556   25.944   7.8048   16.567   7.3278 9.376608 10.70574 
1 1 1   11   19   23 o   16.016   6.3298   2.1927   2.3529   2.0271   3.3682   2.3505   3.2882   16.717   7.1701   17.054   7.1903 -0.3369560 10.15434 
1 1 1   11   19   24 o   10.978   5.2197  -1.8161   2.4526  -1.0685   3.3113  -2.7246   3.6505   13.328   6.2538   12.744   6.1407 0.5839539 8.764608 
1 1 1   11   19   25 o   8.9079   4.4003  -3.7057   2.2417  -3.1490   3.1830  -4.2536   3.1578   11.322   5.5201   10.666   5.2602 0.6555042 7.625059 
1 1 1   11   19   26 o   10.799   5.0986  -0.8067   2.2623   3.4243   3.2588  -4.7425   3.1430   16.319   7.0268   10.003   4.9865 6.316059 8.616323 
1 1 1   11   20    0 o   39.640   6.4933   13.429   3.7140   13.429   3.7140   13.429   3.7140   39.640   6.4933   39.640   6.4933 0.000000 0.000000 
1 1 1   11   20    1 o   21.175   6.7348   3.5808   2.5173   4.2949   3.5274   2.8396   3.5935   23.581   7.9975   21.185   7.9644 2.396290 11.28680 
1 1 1   11   20    2 o   13.459   5.9471  -0.6854   2.4676  -3.4605   3.4773   2.1296   3.5022   13.623   6.3975   19.921   7.7674 -6.298229 10.06285 
1 1 1   11   20    3 o   71.656   2.6406   40.542   2.9642   41.171   4.1920   39.913   4.1922   71.990   3.7232   70.865   3.7833 1.125381 5.308108 
1 1 1   11   20    4 o   20.148   6.7195   3.1394   2.4906   7.1326   3.5486  -0.7372   3.4964   29.011   7.6765   16.172   7.1150 12.83953 10.46668 
1 1 1   11   20    5 o   29.408   5.6989   7.1753   2.5351   5.5506   3.6148   8.7476   3.5561   25.917   8.0469   32.161   7.2231 -6.243788 10.81317 
1 1 1   11   20    6 o   22.010   6.7082   3.9740   2.5265   3.3921   3.5414   4.5771   3.6054   21.925   7.9659   24.066   8.0856 -2.141079 11.35039 
1 1 1   11   20    7 o   52.209   4.1821   21.850   3.3978   21.329   4.7136   22.413   4.9024   51.016   6.0023   52.280   6.0893 -1.264675 8.550256 
1 1 1   11   20    8 o   42.142   5.0429   14.464   3.2689   20.593   4.5351   7.8359   4.7161   50.091   5.8812   30.142   9.1609 19.94896 10.88629 
1 1 1   11   20    9 o   51.350   3.6747   21.090   2.9417   20.611   4.0409   21.630   4.2906   50.291   5.1948   51.458   5.3933 -1.166752 7.488259 
1 1 1   11   20   10 o   31.188   5.4184   8.0997   2.5558   9.7517   3.5359   6.2925   3.6984   33.777   6.9042   27.015   8.0912 6.761822 10.63648 
1 1 1   11   20   11 o   34.013   5.0516   9.5641   2.6147   14.193   3.6690   4.7879   3.7271   41.264   5.8280   24.152   8.2204 17.11201 10.07670 
1 1 1   11   20   12 o   40.487   4.1492   13.314   2.5990   13.793   3.6447   12.818   3.7072   40.544   5.9014   38.894   6.2881 1.649647 8.623598 
1 1 1   11   20   13 o   19.286   6.7157   2.9168   2.4922   2.6294   3.4661   3.2244   3.5860   20.066   7.7538   21.160   7.9558 -1.094654 11.10931 
1 1 1   11   20   14 o   15.006   6.2955   0.5839   2.5011  -1.9904   3.4718   3.3614   3.6063   14.466   6.6546   21.283   7.9833 -6.816968 10.39314 
1 1 1   11   20   15 o   36.863   5.3260   11.457   2.9918   8.8670   4.2359   14.035   4.2263   30.887   8.4814   39.950   6.9960 -9.062868 10.99448 
1 1 1   11   20   16 o   23.195   6.8932   4.7891   2.6924   1.0596   3.7409   8.7970   3.8780   18.023   7.6374   30.797   7.9650 -12.77431 11.03499 
1 1 1   11   20   17 o   13.323   5.9971  -0.8055   2.6337   1.3755   3.7720  -2.8804   3.6791   18.295   7.7065   13.988   6.5725 4.307048 10.12859 
1 1 1   11   20   18 o   12.838   5.8608  -1.1362   2.6251  -2.0114   3.6506  -0.1991   3.7775   14.467   6.7143   16.362   7.2867 -1.894571 9.908481 
1 1 1   11   20   19 o   11.339   5.3978  -2.6462   2.6385  -4.8820   3.6948  -0.3196   3.7691   12.406   6.0255   15.933   7.1729 -3.527206 9.367893 
1 1 1   11   20   20 o   12.568   5.8467  -1.4613   2.7932  -2.2270   3.9061  -0.6600   3.9957   14.257   6.7217   15.621   7.1686 -1.364165 9.826977 
1 1 1   11   20   21 o   21.396   8.2234   4.9896   3.8836   5.8529   6.0009   4.3674   5.0943   22.317   9.5712   20.769   8.8608 1.547802 13.04305 
1 1 1   11   20   22 o   15.500   6.8157   1.1523   3.2042  -2.4973   4.3389   5.5300   4.7520   14.162   6.7905   21.306   8.7857 -7.144134 11.10399 
1 1 1   11   20   23 o   17.957   6.9754   3.3114   2.8160   2.7385   4.3285   3.7318   3.7080   17.841   7.8802   18.716   7.7434 -0.8749256 11.04801 
1 1 1   11   20   24 o   13.931   6.1803   0.8881   2.6912   1.8765   3.8361  -0.0698   3.7764   16.114   7.2469   14.397   6.7307 1.716592 9.890400 
1 1 1   11   20   25 o   9.7937   4.7493  -2.1035   2.2715  -1.6391   3.2206  -2.5632   3.2042   11.844   5.7224   11.259   5.5003 0.5851021 7.937150 
1 1 1   11   21    0 o   46.447   8.2916   18.870   5.4704   18.870   5.4704   18.870   5.4704   46.447   8.2916   46.447   8.2916 0.000000 0.000000 
1 1 1   11   21    1 o   34.349   6.4528   9.8704   3.3506   16.917   4.7021   2.6016   4.7757   45.077   6.8634   22.550   8.9838 22.52722 11.30551 
1 1 1   11   21    2 o   38.066   5.7200   11.931   3.3114   13.774   4.5993   9.9482   4.7716   40.333   7.5437   33.835   8.8771 6.497787 11.64951 
1 1 1   11   21    3 o   38.524   5.7496   12.230   3.3697   12.402   4.6114   12.033   4.9361   38.047   7.9786   37.252   8.6154 0.7952576 11.74232 
1 1 1   11   21    4 o   19.008   7.2598   2.1912   3.0141   5.9451   4.2921  -1.4610   4.2335   26.831   8.8163   17.068   7.6496 9.762388 11.67238 
1 1 1   11   21    5 o   21.366   7.3555   3.5215   2.9860   6.3831   4.2424   0.7120   4.2036   27.503   8.7426   19.200   8.1141 8.303055 11.92782 
1 1 1   11   21    6 o   72.080   3.0656   41.246   3.4598   44.798   4.9722   37.912   4.8173   74.729   4.2575   68.639   4.4970 6.089684 6.192639 
1 1 1   11   21    7 o   29.058   6.9107   7.2434   3.1051   6.5666   4.1759   8.0804   4.6436   27.660   8.6584   30.344   9.0612 -2.684452 12.53289 
1 1 1   11   21    8 o   18.656   7.2894   1.9849   3.0897   3.8814   4.3734   0.0952   4.3656   23.383   8.7871   18.687   8.0899 4.695583 11.94406 
1 1 1   11   21    9 o   24.781   6.9022   5.2905   2.7833   6.7245   3.8134   3.6558   4.0716   27.694   8.1971   22.611   8.4825 5.082445 11.79596 
1 1 1   11   21   10 o   15.545   6.5451   0.5203   2.7186   1.6549   3.7861  -0.6873   3.9061   19.280   7.8842   16.822   7.4551 2.458405 10.85081 
1 1 1   11   21   11 o   34.253   5.6036   9.8836   2.9080   14.041   4.0453   5.4376   4.1833   40.487   6.5937   25.284   8.7061 15.20301 10.92120 
1 1 1   11   21   12 o   23.743   7.1265   4.9264   2.8668   9.9916   4.0246  -0.2911   4.0846   33.332   7.8282   17.433   7.6792 15.89952 10.96592 
1 1 1   11   21   13 o   19.020   7.0398   2.6663   2.7861   0.1183   3.9054   5.3071   3.9758   17.418   7.5948   24.677   8.4878 -7.259142 11.38964 
1 1 1   11   21   14 o   28.704   6.4192   7.2664   2.8189   12.404   3.9980   2.1870   3.9752   37.348   7.0804   19.857   8.0945 17.49091 10.75418 
1 1 1   11   21   15 o   14.080   6.2546  -0.4830   2.7652   0.4107   3.8945  -1.3915   3.9267   17.495   7.6070   15.803   7.1965 1.692461 10.47164 
1 1 1   11   21   16 o   14.726   6.4846  -0.1480   2.9102  -0.1822   4.3043  -0.1192   3.9499   17.453   7.7752   16.884   7.4891 0.5691929 10.79537 
1 1 1   11   21   17 o   18.216   7.1758   2.3346   3.0150  -2.7983   4.2117   7.7302   4.3181   14.965   7.0320   27.698   8.8221 -12.73290 11.28174 
1 1 1   11   21   18 o   23.334   7.4709   5.3251   3.0935   5.7335   4.3445   4.9049   4.4061   23.801   8.7942   22.625   8.7425 1.175602 12.40036 
1 1 1   11   21   19 o   15.853   6.6688   1.3797   2.8184   4.0256   3.8651  -1.6247   4.1186   20.564   8.1173   15.013   7.0221 5.550888 10.73313 
1 1 1   11   21   20 o   15.592   6.5195   1.5700   2.6687  -1.0550   3.7392   4.2952   3.8099   14.476   6.7444   20.318   8.0469 -5.842364 10.49950 
1 1 1   11   21   21 o   18.991   6.9404   3.7490   2.6938   2.1357   3.7513   5.4668   3.8709   17.128   7.4563   21.449   8.2185 -4.321182 11.09689 
1 1 1   11   21   22 o   32.176   5.7340   10.114   2.7892   13.307   3.8795   6.6982   4.0128   34.924   7.3134   22.735   8.4424 12.18882 11.16959 
1 1 1   11   21   23 o   13.169   5.9349   0.3535   2.5885   0.0255   3.6154   0.6984   3.7078   14.301   6.6523   14.965   6.8816 -0.6647816 9.571245 
1 1 1   11   21   24 o   12.519   5.8520  -0.0952   2.8535  -4.3326   3.8098   5.3200   4.3068   11.326   5.6199   18.241   7.9643 -6.914702 9.747506 
1 1 1   11   21   25 o   22.676   6.9279   6.9618   2.6925   6.3748   3.6575   7.6564   3.9782   18.996   7.7563   20.082   8.1300 -1.085897 11.23646 
1 1 1   11   22    0 o   13.332   8.3805   0.8959   3.6712   0.8959   3.6712   0.8959   3.6712   13.332   8.3805   13.332   8.3805 0.000000 0.000000 
1 1 1   11   22    1 o   31.320   5.6163   8.1870   2.6590   10.041   3.7925   6.3946   3.7290   34.186   7.2919   27.256   8.1155 6.930212 10.91019 
1 1 1   11   22    2 o   13.272   5.9529  -0.9945   2.5695   1.4764   3.6448  -3.4358   3.6230   18.981   7.7458   13.879   6.5217 5.102470 10.12570 
1 1 1   11   22    3 o   28.859   6.0653   7.0490   2.6595   3.1676   3.7378   11.028   3.7847   21.573   8.1201   35.949   6.9602 -14.37590 10.69489 
1 1 1   11   22    4 o   26.301   7.1222   5.9633   3.0114   4.2517   4.0904   7.9888   4.4497   23.646   8.5654   30.083   8.8416 -6.436668 12.31018 
1 1 1   11   22    5 o   48.088   3.9713   18.634   2.9703   17.410   4.2581   19.793   4.1454   45.675   6.0923   49.008   5.4839 -3.332718 8.196897 
1 1 1   11   22    6 o   22.070   7.1208   4.0468   2.8067   7.5001   4.0570   0.8768   3.8869   29.103   8.4110   18.555   7.8200 10.54801 11.48464 
1 1 1   11   22    7 o   32.546   5.9093   8.9649   2.9071   10.933   4.1873   7.1337   4.0391   35.214   7.7844   28.346   8.4476 6.868441 11.48733 
1 1 1   11   22    8 o   30.783   6.5988   8.1973   3.0919   11.273   4.7268   5.8970   4.0878   35.286   8.6127   26.070   8.6057 9.216312 12.17526 
1 1 1   11   22    9 o   34.076   5.2433   9.7183   2.7142   9.6921   3.8128   9.7452   3.8645   33.049   7.5213   33.106   7.5993 -0.5715942E-01 10.69207 
1 1 1   11   22   10 o   30.756   5.8742   8.1033   2.7319   5.2779   3.8234   11.050   3.9047   24.674   8.3266   35.350   7.2812 -10.67650 11.06109 
1 1 1   11   22   11 o   21.349   7.2923   3.8048   2.9334  -1.5336   4.0955   9.4286   4.2036   16.211   7.3697   31.985   8.3029 -15.77398 11.10179 
1 1 1   11   22   12 f   12.010   5.6697  -2.7072   2.7952  -0.4092   3.9617  -4.9851   3.9443   16.900   7.4980   13.311   6.4064 3.588978 9.862182 
1 1 1   11   22   13 o   21.751   7.1418   4.1284   2.8167   5.3482   4.0507   2.9864   3.9195   24.467   8.5590   20.754   8.1799 3.712742 11.83916 
1 1 1   11   22   14 o   10.835   5.2321  -3.7300   2.6846  -0.9506   3.7329  -6.7074   3.8636   15.727   7.1040   12.078   5.9291 3.648847 9.253131 
1 1 1   11   22   15 o   15.018   6.3534   0.6867   2.5816   1.4723   3.6490  -0.1005   3.6529   18.030   7.5865   16.254   7.2063 1.775272 10.46358 
1 1 1   11   22   16 o   17.001   6.6707   2.0066   2.5966   7.9255   3.6867  -3.8198   3.6578   28.364   7.9597   13.048   6.2505 15.31665 10.12057 
1 1 1   11   22   17 o   27.736   6.2390   7.1986   2.6497   11.515   3.7575   2.9291   3.7370   34.451   7.1831   19.331   7.8600 15.11963 10.64791 
1 1 1   11   22   18 o   20.861   6.8473   4.3150   2.5893  -0.5054   3.5902   9.5405   3.7380   14.932   6.8309   30.045   7.8447 -15.11316 10.40191 
1 1 1   11   22   19 o   16.627   6.5945   2.3395   2.5622   2.8651   3.6152   1.8090   3.6320   18.200   7.5975   16.950   7.3582 1.250463 10.57659 
1 1 1   11   22   20 o   11.765   5.4939  -1.1491   2.5042  -2.5360   3.5342   0.2493   3.5488   12.763   6.1221   14.945   6.8195 -2.181705 9.164334 
1 1 1   11   22   21 o   14.269   6.1575   1.1310   2.5128   3.7423   3.5481  -1.4969   3.5593   18.593   7.6211   13.353   6.3314 5.239523 9.907973 
1 1 1   11   22   22 o   14.944   6.3448   1.7594   2.5900   2.3126   3.5406   1.1225   3.7988   16.348   7.1772   15.383   7.0331 0.9650927 10.04875 
1 1 1   11   22   23 o   12.744   5.7861   0.5967   2.5148   3.9226   3.5456  -2.7705   3.5675   17.071   7.3397   11.723   5.7431 5.347555 9.319564 
1 1 1   11   22   24 o   9.9665   4.9211  -3.0953   2.7932  -5.0253   3.8311  -0.9050   4.0813   10.687   5.3540   12.755   6.2258 -2.067976 8.211313 
1 1 1   11   23    0 o   10.929   7.3611  -1.3163   3.6263  -1.3163   3.6263  -1.3163   3.6263   10.929   7.3611   10.929   7.3611 0.000000 0.000000 
1 1 1   11   23    1 o   20.270   6.9825   3.2521   2.6910   1.1995   3.8591   5.1950   3.7545   18.835   7.8550   24.769   8.2498 -5.933783 11.39127 
1 1 1   11   23    2 o   15.026   6.4043   0.2639   2.6568   1.9764   3.7628  -1.4386   3.7517   19.663   7.9259   15.747   7.1167 3.915154 10.65213 
1 1 1   11   23    3 o   17.331   6.7238   1.7889   2.6141   0.8033   3.6916   2.7803   3.7024   18.001   7.6055   20.700   8.0098 -2.698738 11.04536 
1 1 1   11   23    4 o   20.581   7.3893   3.2440   3.0361   1.5575   4.1663   5.1537   4.4335   19.747   8.1924   25.033   8.9361 -5.285336 12.12314 
1 1 1   11   23    5 o   23.743   7.1822   4.8851   2.9036   4.2158   4.0912   5.5643   4.1215   23.256   8.5442   25.449   8.6447 -2.193298 12.15462 
1 1 1   11   23    6 o   30.323   6.4637   7.9784   2.9818   8.3854   4.2490   7.5836   4.1856   30.315   8.5586   28.894   8.5966 1.420708 12.13055 
1 1 1   11   23    7 o   24.180   7.2489   5.1337   2.9674   9.7497   4.2414   0.7077   4.1532   32.694   8.2640   18.597   7.9689 14.09661 11.48027 
1 1 1   11   23    8 o   26.462   7.4103   6.2703   3.1989   12.419   4.8949   1.6869   4.2262   36.634   8.6532   19.769   8.2305 16.86412 11.94236 
1 1 1   11   23    9 o   19.526   7.1354   2.9185   2.8473   4.7868   3.9813   0.9623   4.0738   23.750   8.4692   18.606   7.9303 5.144203 11.60248 
1 1 1   11   23   10 o   35.853   5.5387   10.954   3.0160   13.888   4.1706   7.7385   4.3667   39.621   6.9615   28.650   8.8356 10.97071 11.24858 
1 1 1   11   23   11 o   23.177   7.2603   4.8066   2.9357   6.1523   4.0523   3.3203   4.2588   25.794   8.5702   21.570   8.5186 4.224131 12.08372 
1 1 1   11   23   12 o   11.019   5.3155  -3.7490   2.7538  -4.0271   3.8544  -3.4590   3.9359   13.583   6.4821   14.145   6.6925 -0.5623770 9.317037 
1 1 1   11   23   13 o   31.684   6.4996   9.0455   3.1232   8.8932   4.3033   9.2150   4.5400   30.033   8.6573   30.391   8.9304 -0.3580971 12.43787 
1 1 1   11   23   14 o   16.452   6.9327   1.1127   3.0543  -3.0628   4.2825   5.4352   4.3573   14.898   7.0282   23.945   8.8143 -9.046884 11.27330 
1 1 1   11   23   15 o   14.504   6.4750  -0.2378   3.0020  -3.7222   4.1692   3.5137   4.3261   14.053   6.7161   20.847   8.4640 -6.793792 10.80488 
1 1 1   11   23   16 o   15.332   6.6091   0.8625   2.8890  -0.8631   4.2187   2.3864   3.9646   15.828   7.3007   18.632   7.8775 -2.804157 10.74035 
1 1 1   11   23   17 o   14.578   6.3932   0.5885   2.8025   2.1247   4.0087  -0.8800   3.9194   17.927   7.7566   15.016   6.9650 2.910593 10.42480 
1 1 1   11   23   18 o   12.642   5.9461  -1.5334   3.0244  -4.5259   4.2400   1.5663   4.3153   12.971   6.3343   17.209   7.7171 -4.238267 9.983856 
1 1 1   11   23   19 o   17.857   6.6897   3.2371   2.5306   5.3240   3.5898   1.1756   3.5679   21.116   7.9555   15.762   7.0463 5.354328 10.62739 
1 1 1   11   23   20 o   12.763   5.8076  -0.1006   2.5506  -5.1603   3.5872   5.0727   3.6273   11.226   5.5493   20.343   7.9125 -9.117148 9.664498 
1 1 1   11   23   21 o   11.227   5.2980  -1.2051   2.4373  -0.3854   3.4110  -2.0601   3.4837   13.596   6.3692   12.508   6.0199 1.087646 8.763928 
1 1 1   11   23   22 o   9.3654   4.6213  -3.3581   2.4496  -1.4730   3.4317  -5.3166   3.4978   12.223   5.9056   10.398   5.1952 1.824839 7.865502 
1 1 1   11   23   23 o   13.316   5.8911   1.6011   2.4286   1.6255   3.4139   1.5762   3.4555   13.877   6.4584   13.856   6.4649 0.2097034E-01 9.138141 
1 1 1   11   24    0 o   19.136   10.922   4.4499   5.1489   4.4499   5.1489   4.4499   5.1489   19.136   10.922   19.136   10.922 0.000000 0.000000 
1 1 1   11   24    1 o   18.883   7.6482   1.8438   3.5226   5.7202   4.9930  -1.9977   4.9705   25.942   9.4537   17.613   8.0499 8.328449 12.41665 
1 1 1   11   24    2 o   28.843   7.1199   7.3976   3.2030   6.2448   4.4728   8.6110   4.5887   26.477   9.0055   30.418   8.9888 -3.940769 12.72385 
1 1 1   11   24    3 o   10.851   5.3358  -6.0657   3.1725  -5.6323   4.5479  -6.4766   4.4276   14.336   6.8943   13.621   6.6111 0.7153873 9.551803 
1 1 1   11   24    4 o   52.868   4.2342   22.826   3.4836   25.743   5.4528   20.815   4.5281   54.803   6.4645   49.547   5.9420 5.255306 8.780504 
1 1 1   11   24    5 o   25.127   7.1914   5.6367   2.9795   4.7242   4.2292   6.5359   4.1982   23.829   8.6980   26.763   8.7149 -2.934141 12.31277 
1 1 1   11   24    6 o   30.264   6.5795   8.0801   3.0356   4.1979   4.2969   11.948   4.2889   23.036   8.6984   36.278   7.7677 -13.24237 11.66189 
1 1 1   11   24    7 o   38.353   5.1358   12.382   3.0135   8.9535   4.2904   15.720   4.2336   30.820   8.5641   42.444   6.5679 -11.62443 10.79265 
1 1 1   11   24    8 o   16.214   6.8903   0.6756   3.0594   2.1970   4.5712  -0.5588   4.1175   20.570   8.5616   16.960   7.5767 3.610361 11.43268 
1 1 1   11   24    9 o   15.235   6.5891   0.2360   2.8905   2.0336   4.1408  -1.4726   4.0369   19.705   8.1704   15.922   7.2685 3.782921 10.93557 
1 1 1   11   24   10 o   17.556   7.0350   1.8433   2.9457   0.9409   4.1838   2.7303   4.1481   18.416   7.9461   20.468   8.2962 -2.051294 11.48769 
1 1 1   11   24   11 o   15.976   6.7710   0.8367   2.9410   4.4341   4.1144  -2.9217   4.2055   22.597   8.5163   14.956   7.0275 7.641006 11.04144 
1 1 1   11   24   12 o   14.136   6.3546  -0.6135   2.9462  -1.4505   4.1898   0.2053   4.1438   15.914   7.3168   17.297   7.6715 -1.382947 10.60131 
1 1 1   11   24   13 o   13.612   6.2070  -0.9713   2.9335  -2.0711   4.0966   0.1861   4.2027   15.081   7.0371   17.150   7.6586 -2.069761 10.40076 
1 1 1   11   24   14 o   22.529   7.3441   5.0411   2.9810   5.2481   4.2613   4.8427   4.1716   22.681   8.6396   22.092   8.5145 0.5893230 12.13010 
1 1 1   11   24   15 o   15.444   6.6260   1.0895   2.8779   5.3485   4.0851  -3.1071   4.0550   22.275   8.4652   13.793   6.6005 8.482413 10.73436 
1 1 1   11   24   16 o   17.031   6.8847   2.4261   2.8480   0.1115   4.0444   4.7028   4.0112   15.813   7.2401   20.787   8.2490 -4.973697 10.97566 
1 1 1   11   24   17 o   15.214   6.5172   1.4195   2.7761  -1.4619   3.9595   4.2054   3.8933   14.197   6.7158   19.613   8.0047 -5.416099 10.44877 
1 1 1   11   24   18 o   10.840   5.2500  -2.8896   2.7526   2.4133   4.0662  -7.3752   3.7397   17.278   7.6344   10.623   5.3171 6.655710 9.303522 
1 1 1   11   24   19 o   15.400   6.4609   1.9369   2.6342   1.8372   3.8198   2.0273   3.6376   16.270   7.2810   16.326   7.2169 -0.5587769E-01 10.25165 
1 1 1   11   24   20 o   10.057   4.9661  -4.0923   2.8472  -4.7838   4.4810  -3.6242   3.6871   12.439   6.1584   11.832   5.8049 0.6071043 8.463039 
1 1 1   11   24   21 o   14.623   6.4181   2.1337   2.8292   5.7753   3.8475  -2.1537   4.1747   18.705   7.8252   12.598   6.1802 6.107008 9.971389 
1 1 1   11   24   22 o   11.555   5.5385  -0.6410   2.8807  -5.2428   4.0995   3.8476   4.0488   10.845   5.4478   15.652   7.1949 -4.806611 9.024698 
1 1 1   11   25    0 o   17.852   9.8284   4.0203   3.9853   4.0203   3.9853   4.0203   3.9853   17.852   9.8284   17.852   9.8284 0.000000 0.000000 
1 1 1   11   25    1 o   30.351   6.2362   8.0866   2.8708   8.6516   4.0991   7.5427   4.0220   30.342   8.3478   28.352   8.4248 1.990196 11.86017 
1 1 1   11   25    2 o   19.864   7.1226   3.1767   2.8199   2.1728   4.0215   4.1477   3.9551   19.820   8.1177   22.523   8.3781 -2.703478 11.66572 
1 1 1   11   25    3 o   45.505   4.2737   17.064   3.0162   19.705   4.3263   14.566   4.2073   47.963   5.8699   40.546   6.8564 7.417160 9.025893 
1 1 1   11   25    4 o   30.564   6.5272   8.3109   3.0355   8.0497   4.4934   8.5302   4.1169   28.918   8.9705   29.979   8.4108 -1.061634 12.29681 
1 1 1   11   25    5 o   26.387   6.8735   6.3097   2.8742   1.8762   4.0363   10.870   4.0938   19.364   8.0510   34.231   7.7957 -14.86728 11.20679 
1 1 1   11   25    6 o   18.245   7.0313   2.3358   2.8446  -0.2026   3.9969   4.9414   4.0495   16.964   7.5286   23.618   8.5269 -6.654039 11.37490 
1 1 1   11   25    7 o   25.987   7.1248   6.2231   2.9919   4.4062   4.0923   8.3093   4.3852   22.716   8.5077   29.119   8.8303 -6.402744 12.26194 
1 1 1   11   25    8 o   12.627   5.9413  -2.5104   3.0248  -6.3764   4.3190   1.2111   4.2375   13.151   6.4159   18.655   8.0224 -5.503831 10.27240 
1 1 1   11   25    9 o   20.931   7.3873   3.8716   3.0222   6.4362   4.2170   1.1632   4.3335   25.605   8.7434   18.607   8.0578 6.997734 11.89015 
1 1 1   11   25   10 o   32.482   6.1603   9.5222   3.0253   8.0546   4.2343   11.053   4.3240   28.102   8.7065   33.355   8.2954 -5.252876 12.02563 
1 1 1   11   25   11 o   14.927   6.6455  -0.1126   3.1391  -0.6830   4.6069   0.3818   4.2889   16.971   7.7538   17.407   7.7574 -0.4364262 10.96811 
1 1 1   11   25   12 o   14.381   6.3835   0.0568   2.8749  -3.3887   3.9779   3.8243   4.1596   13.689   6.5471   20.681   8.3345 -6.992646 10.59852 
1 1 1   11   25   13 o   21.088   7.1512   4.4711   2.8203   3.0859   4.0996   5.7157   3.8860   19.305   8.0768   22.925   8.3423 -3.620638 11.61153 
1 1 1   11   25   14 o   25.328   6.8686   6.6039   2.7984   1.5742   3.9348   11.752   3.9807   17.100   7.5348   33.032   7.8040 -15.93214 10.84783 
1 1 1   11   25   15 o   12.418   5.8167  -1.2998   2.8432  -2.3779   3.9326  -0.1191   4.1155   13.611   6.5099   15.471   7.1622 -1.859368 9.678657 
1 1 1   11   25   16 o   21.320   7.2188   5.1319   2.8738   0.9316   4.0011   9.6077   4.1302   15.930   7.2583   27.416   8.6149 -11.48604 11.26498 
1 1 1   11   25   17 o   12.534   5.8226  -0.6881   2.7552   1.9016   3.9060  -3.2529   3.8871   16.494   7.3732   12.688   6.1667 3.805970 9.612095 
1 1 1   11   25   18 o   9.5451   4.7157  -4.1037   2.5777  -7.1603   3.5858  -0.8349   3.7082   10.255   5.1437   13.743   6.5004 -3.487875 8.289274 
1 1 1   11   25   19 o   12.671   5.7737   0.3222   2.5320  -0.7414   3.5269   1.4533   3.6371   13.123   6.2453   14.959   6.8554 -1.836287 9.273619 
1 1 1   11   25   20 o   12.949   6.0262   0.6186   2.9717  -1.4954   4.2536   2.6341   4.1534   12.802   6.2714   15.222   7.0975 -2.420523 9.471210 
1 1 1   11   25   21 o   9.2130   4.5618  -3.1216   2.4615  -9.6195   3.4653   3.4958   3.4970   8.6309   4.4049   15.306   6.8983 -6.675129 8.184690 
1 1 1   11   26    0 o   18.802   9.9489   4.6703   3.9326   4.6703   3.9326   4.6703   3.9326   18.802   9.9489   18.802   9.9489 0.000000 0.000000 
1 1 1   11   26    1 f   21.319   7.1403   4.0326   2.8119   4.9122   4.0109   3.1826   3.9431   23.376   8.4798   20.748   8.1960 2.627861 11.79327 
1 1 1   11   26    2 o   14.130   6.2618  -0.3172   2.7553   5.0356   3.9248  -5.5190   3.8690   23.513   8.4062   12.647   6.1482 10.86539 10.41467 
1 1 1   11   26    3 o   12.876   5.9469  -1.6099   2.8129   0.3477   3.9706  -3.5824   3.9857   17.308   7.5996   14.058   6.6757 3.249825 10.11523 
1 1 1   11   26    4 o   16.046   6.7036   1.0770   2.8180  -1.6660   3.9715   3.8583   3.9992   15.414   7.1002   21.620   8.3356 -6.205748 10.94966 
1 1 1   11   26    5 o   16.344   6.7464   1.3288   2.8059  -0.5162   3.9300   3.2472   4.0074   16.282   7.3276   20.675   8.2319 -4.393457 11.02075 
1 1 1   11   26    6 o   12.334   5.7917  -2.2212   2.8489   2.3661   4.0936  -6.5297   3.9672   19.550   8.1165   12.236   6.0067 7.314703 10.09743 
1 1 1   11   26    7 o   11.495   5.5041  -3.1566   2.8292  -2.6849   4.0199  -3.6196   3.9826   14.554   6.8485   13.845   6.6022 0.7093678 9.512658 
1 1 1   11   26    8 o   15.429   6.5967   0.7922   2.8344   1.7977   4.0578  -0.1657   3.9607   18.556   7.9121   16.393   7.3689 2.162750 10.81211 
1 1 1   11   26    9 o   10.018   4.9615  -5.7592   2.9165  -2.6155   4.1107  -8.9458   4.1386   14.529   6.8638   11.363   5.6735 3.165875 8.905052 
1 1 1   11   26   10 o   14.540   6.4670   0.1206   2.9657   1.7668   4.2300  -1.4709   4.1592   18.161   7.9117   15.219   7.0982 2.941026 10.62916 
1 1 1   11   26   11 o   12.149   5.7778  -2.3969   3.0078   4.2108   4.4441  -7.9818   4.0857   20.686   8.5096   11.411   5.6877 9.275414 10.23540 
1 1 1   11   26   12 o   12.797   5.9410  -1.0738   2.8616  -2.5285   4.0383   0.3935   4.0557   13.878   6.6264   16.077   7.3183 -2.198447 9.872498 
1 1 1   11   26   13 o   22.482   7.0880   5.4885   2.7937   4.8677   3.8827   6.1549   4.0227   20.611   8.1358   22.419   8.4270 -1.808113 11.71346 
1 1 1   11   26   14 o   22.808   7.0183   5.7617   2.7570   5.2793   3.8855   6.2510   3.9127   20.779   8.1580   22.195   8.3176 -1.416342 11.65057 
1 1 1   11   26   15 o   12.867   5.8900  -0.2005   2.6753   0.4744   3.7335  -0.9127   3.8354   15.036   6.9110   14.080   6.6451 0.9561605 9.587443 
1 1 1   11   26   16 o   9.2790   4.6324  -5.4957   2.7559  -5.2045   3.8535  -5.8005   3.9431   11.556   5.7196   11.448   5.6869 0.1078758 8.065597 
1 1 1   11   26   17 o   8.9285   4.4893  -6.4022   2.8172  -7.1204   3.7797  -5.5046   4.2256   10.496   5.2669   11.805   5.8679 -1.308826 7.884979 
1 1 1   11   26   18 o   14.953   6.6210   2.1963   3.0741  -0.7686   4.3672   5.1079   4.3278   13.619   6.6000   17.870   7.8868 -4.250299 10.28404 
1 1 1   11   26   19 o   12.122   5.7540  -0.0877   2.9551  -2.0278   4.1612   1.8864   4.1974   12.223   6.0299   14.350   6.8246 -2.126644 9.106913 
1 1 1   11   27    0 o   10.355   7.1702  -2.4536   4.0011  -2.4536   4.0011  -2.4536   4.0011   10.355   7.1702   10.355   7.1702 0.000000 0.000000 
1 1 1   11   27    1 o   12.282   5.7945  -2.3780   2.9117  -0.4960   4.2892  -3.9866   3.9653   16.688   7.5689   13.527   6.4875 3.161451 9.968767 
1 1 1   11   27    2 o   17.207   7.2256   1.5240   3.2994   0.4594   4.7348   2.5289   4.6003   18.151   8.1156   20.005   8.4730 -1.854294 11.73260 
1 1 1   11   27    3 o   12.988   6.1332  -2.5383   3.2762  -3.9957   4.5753  -1.0047   4.6934   14.635   7.0056   16.834   7.7414 -2.198867 10.44067 
1 1 1   11   27    4 o   16.338   7.0012   1.0442   3.2062  -0.5282   4.5398   2.6088   4.5286   16.898   7.7118   19.841   8.4053 -2.942802 11.40705 
1 1 1   11   27    5 o   19.851   7.5892   3.5008   3.2959   4.6526   4.6082   2.2946   4.7158   22.113   8.8198   19.522   8.4297 2.590729 12.20040 
1 1 1   11   27    6 o   13.549   6.3447  -1.8569   3.3793   5.4365   5.2701  -6.9496   4.4037   22.913   9.3275   12.595   6.2114 10.31832 11.20645 
1 1 1   11   27    7 o   20.585   7.4204   4.1916   3.0652   4.9971   4.3681   3.4101   4.3024   21.930   8.6377   19.918   8.2992 2.012421 11.97862 
1 1 1   11   27    8 o   9.2212   4.6374  -7.7967   3.0146  -6.8538   4.2896  -8.7168   4.2374   12.236   6.0523   11.409   5.7033 0.8271437 8.316065 
1 1 1   11   27    9 o   10.959   5.3454  -3.9654   2.9939  -5.6187   4.2621  -2.3550   4.2064   12.619   6.2014   14.300   6.8098 -1.680855 9.210366 
1 1 1   11   27   10 o   14.500   6.4435   0.5501   2.9375   7.5862   4.2502  -5.8849   4.0646   24.604   8.7530   12.025   5.9371 12.57953 10.57663 
1 1 1   11   27   11 o   12.444   5.8732  -1.5517   2.9966  -0.7763   4.5051  -2.1670   4.0132   15.333   7.2258   13.767   6.5824 1.565531 9.774472 
1 1 1   11   27   12 o   14.194   6.2815   0.7875   2.7632   4.6839   3.9294  -3.0241   3.8864   19.824   8.0600   12.902   6.2461 6.921483 10.19696 
1 1 1   11   27   13 f   12.295   5.7536  -0.9492   2.7702   4.5636   3.9500  -6.2855   3.8862   19.378   8.0022   11.223   5.5865 8.155181 9.759302 
1 1 1   11   27   14 o   17.882   6.8861   3.5259   2.7268   4.9954   3.8123   1.9865   3.9018   19.735   7.9698   16.324   7.3277 3.410732 10.82652 
1 1 1   11   27   15 o   13.801   6.1333   0.9397   2.6619   1.7380   3.7664   0.1429   3.7626   15.696   7.1084   14.351   6.7121 1.345463 9.776649 
1 1 1   11   27   16 o   12.015   5.6259  -0.4336   2.6556  -0.4672   3.7368  -0.3993   3.7745   13.417   6.3975   13.502   6.4357 -0.8507538E-01 9.074488 
1 1 1   11   27   17 o   9.8858   4.8827  -3.2315   2.7571  -3.8216   3.9800  -2.6870   3.8231   11.421   5.6799   11.731   5.7857 -0.3099194 8.107726 
1 1 1   11   27   18 o   11.036   5.3195  -0.9222   2.7439  -0.0609   3.8921  -1.7734   3.8690   12.712   6.1768   11.825   5.8298 0.8876095 8.493450 
1 1 1   11   28    0 o   12.803   8.3865   0.7780   4.1901   0.7780   4.1901   0.7780   4.1901   12.803   8.3865   12.803   8.3865 0.000000 0.000000 
1 1 1   11   28    1 o   14.295   6.3868   0.1057   2.9265  -2.9629   4.1177   3.2377   4.1599   13.950   6.6689   19.413   8.1300 -5.463237 10.51532 
1 1 1   11   28    2 o   17.832   7.1449   2.6871   3.0383   4.1178   4.2071   1.1275   4.3924   20.446   8.3299   17.390   7.7931 3.055454 11.40698 
1 1 1   11   28    3 o   15.449   6.7547   0.9042   3.1072  -0.8739   4.4058   2.6638   4.3828   15.728   7.3255   18.796   8.1215 -3.067737 10.93718 
1 1 1   11   28    4 o   11.325   5.4900  -3.5406   3.0286  -4.3613   4.2320  -2.6789   4.3361   13.224   6.4288   14.348   6.8552 -1.124585 9.398066 
1 1 1   11   28    5 o   12.089   5.7661  -2.3941   3.0408   1.2752   4.3040  -6.0506   4.2965   17.133   7.6930   12.450   6.1391 4.682369 9.842291 
1 1 1   11   28    6 o   17.485   7.3881   2.4740   3.4839   4.5618   4.7362   0.0122   5.1430   20.443   8.6249   16.837   7.8658 3.606709 11.67303 
1 1 1   11   28    7 o   12.543   5.8944  -1.4159   2.9604  -2.4638   4.2879  -0.4614   4.0921   14.082   6.7518   15.151   7.0577 -1.068791 9.767206 
1 1 1   11   28    8 o   10.647   5.2007  -3.6704   2.8632  -4.7892   4.0548  -2.5577   4.0437   12.355   6.0669   13.534   6.5064 -1.178468 8.896105 
1 1 1   11   28    9 o   11.088   5.3604  -2.7865   2.8371   3.3165   4.0384  -8.7338   3.9865   18.177   7.8244   10.576   5.3205 7.601363 9.461972 
1 1 1   11   28   10 o   9.7318   4.8355  -5.1325   2.8589   0.2759   4.0412 -10.5514   4.0451   15.185   7.0532   10.060   5.0962 5.124846 8.701640 
1 1 1   11   28   11 o   12.618   5.9308  -0.9854   3.0000   3.8605   4.5311  -4.7678   4.0031   18.410   8.0996   12.007   5.9214 6.403125 10.03328 
1 1 1   11   28   12 o   15.782   6.7509   2.1701   2.9713   7.8266   4.2858  -3.0649   4.1230   23.016   8.6879   12.919   6.2953 10.09634 10.72897 
1 1 1   11   28   13 o   8.8924   4.4792  -6.7931   2.8729  -2.6830   4.0610 -10.9109   4.0648   12.860   6.2621   9.8004   4.9797 3.059171 8.000718 
1 1 1   11   28   14 o   9.6756   4.8108  -4.5330   2.8487  -3.2700   4.0408  -5.7809   4.0165   12.223   6.0127   11.135   5.5639 1.088194 8.192099 
1 1 1   11   28   15 o   9.5093   4.7068  -3.4607   2.6114  -6.0363   3.6379  -0.7226   3.7509   10.157   5.1062   12.735   6.1582 -2.578196 7.999816 
1 1 1   11   28   16 o   8.4752   4.2693  -5.3096   2.6119  -5.1233   3.7270  -5.4895   3.6614   10.337   5.1931   10.123   5.0935 0.2145538 7.274093 
1 1 1   11   29    0 o   12.796   8.3709   1.2804   4.1537   1.2804   4.1537   1.2804   4.1537   12.796   8.3709   12.796   8.3709 0.000000 0.000000 
1 1 1   11   29    1 o   16.544   6.8902   2.3191   2.9635   6.0873   4.2088  -1.3861   4.1734   21.843   8.5155   14.447   6.8520 7.395790 10.92990 
1 1 1   11   29    2 o   19.100   7.2227   3.9620   2.9652   8.8324   4.2494  -0.6596   4.1394   25.906   8.7781   14.871   6.9824 11.03530 11.21644 
1 1 1   11   29    3 o   14.351   6.4153   0.6393   2.9569   1.4274   4.1321  -0.1879   4.2332   16.462   7.4514   15.270   7.1348 1.191691 10.31645 
1 1 1   11   29    4 o   13.719   6.2502   0.0755   2.9661   0.0834   4.1967   0.0677   4.1927   15.356   7.1513   15.340   7.1452 0.1613998E-01 10.10913 
1 1 1   11   29    5 o   10.042   5.0006  -5.7506   3.1258  -7.8901   4.4647  -3.6938   4.3776   11.609   5.8105   13.215   6.4500 -1.606767 8.681270 
1 1 1   11   29    6 o   12.049   5.7799  -2.1837   3.1503  -4.1084   4.3349  -0.0293   4.5862   12.890   6.3178   15.492   7.2976 -2.602241 9.652459 
1 1 1   11   29    7 o   15.820   6.9176   1.8982   3.2597   4.7856   4.4568  -1.4229   4.7799   19.371   8.2767   14.736   7.0819 4.634748 10.89302 
1 1 1   11   29    8 o   11.664   5.6658  -2.9578   3.2697  -4.3038   4.5482  -1.5181   4.7037   12.950   6.3723   14.508   6.9857 -1.557499 9.455547 
1 1 1   11   29    9 f   12.291   5.8280  -1.2927   3.0168  -3.6217   4.2289   1.1206   4.3049   12.759   6.2509   15.719   7.2939 -2.960143 9.605991 
1 1 1   11   29   10 o   15.508   6.7229   2.0784   3.0233  -0.9337   4.2437   5.1828   4.3082   14.102   6.7493   19.223   8.1730 -5.121770 10.59959 
1 1 1   11   29   11 o   13.032   6.1227  -0.3566   3.1906  -3.2240   4.7566   1.9888   4.3019   13.256   6.5216   15.881   7.3419 -2.624734 9.820130 
1 1 1   11   29   12 o   11.474   5.5134  -1.4463   2.8950  -1.1560   3.9903  -1.7690   4.2067   13.080   6.3315   12.974   6.3300 0.1062574 8.953045 
1 1 1   11   29   13 o   13.193   6.1153   0.9805   3.0143   1.5133   4.3844   0.5030   4.1508   14.358   6.8688   13.644   6.5680 0.7134724 9.503654 
1 1 1   11   29   14 o   13.205   6.0898   1.4894   2.9332  -0.4345   4.1873   3.3431   4.1102   12.710   6.2254   14.935   6.9951 -2.225317 9.364119 
1 1 1   11   30    0 o   18.465   10.633   6.5510   4.9430   6.5510   4.9430   6.5510   4.9430   18.465   10.633   18.465   10.633 0.000000 0.000000 
1 1 1   11   30    1 o   13.768   6.3467   0.1224   3.1813  -5.1367   4.4875   5.4356   4.5105   12.469   6.1715   19.776   8.3837 -7.307354 10.41024 
1 1 1   11   30    2 o   15.836   6.8912   2.0982   3.2017   4.2154   4.4636  -0.1454   4.5949   18.493   8.0903   15.121   7.1768 3.371589 10.81480 
1 1 1   11   30    3 o   12.046   5.8689  -3.1158   3.5801  -0.9168   4.9255  -5.5788   5.2127   14.939   7.1818   13.173   6.5427 1.765966 9.715159 
1 1 1   11   30    4 o   14.645   6.6342   0.9933   3.2831   2.1509   4.9389   0.0769   4.3947   16.789   7.7979   15.006   7.0914 1.782998 10.54015 
1 1 1   11   30    5 o   12.981   6.0769  -0.5102   3.0955   0.3613   4.4714  -1.3123   4.2896   15.190   7.1708   13.973   6.7134 1.217482 9.822942 
1 1 1   11   30    6 o   11.600   5.6046  -2.2831   3.0903  -7.1857   4.3402   2.7586   4.4013   11.340   5.6837   16.815   7.6423 -5.474748 9.524132 
1 1 1   11   30    7 o   12.647   5.9525  -0.6270   3.0396   0.6656   4.3122  -1.9034   4.2854   15.014   7.0738   13.437   6.5177 1.577641 9.618629 
1 1 1   11   30    8 o   14.892   6.6074   1.8388   3.0768   5.0363   4.3555  -1.3462   4.3470   18.379   8.0172   13.616   6.5951 4.763020 10.38128 
1 1 1   11   30    9 o   9.3722   4.6996  -5.6294   2.9843  -3.3464   4.2568  -7.8361   4.1850   12.278   6.0649   10.555   5.3280 1.722925 8.072782 
1 1 1   11   30   10 o   13.564   6.2121   1.3096   2.9804   1.6835   4.2136   0.9353   4.2162   14.518   6.8854   14.047   6.7242 0.4716463 9.624147 
1 1 1   11   30   11 o   15.830   7.0414   3.9441   3.5169   8.9481   5.0577  -0.7404   4.8935   18.907   8.4252   13.151   6.4973 5.756000 10.63949 
1 1 1   11   30   12 o   20.112   7.3378   6.8336   3.0094   7.8674   4.2883   5.8305   4.2242   18.335   7.9771   16.509   7.4969 1.826218 10.94701 
1 1 1   11   31    0 o   9.4814   6.7064  -2.4900   4.0831  -2.4900   4.0831  -2.4900   4.0831   9.4814   6.7064   9.4814   6.7064 0.000000 0.000000 
1 1 1   11   31    1 f   17.091   6.9276   3.5943   2.8925  -0.1730   4.1008   7.3245   4.0805   13.997   6.6814   21.228   8.3524 -7.231801 10.69598 
1 1 1   11   31    2 o   12.787   5.9455   0.0559   2.8829   3.2079   4.0121  -3.3088   4.1453   16.480   7.4115   12.315   6.0642 4.165524 9.576311 
1 1 1   11   31    3 o   10.959   5.3710  -2.9842   3.1304  -1.6543   4.6502  -4.0861   4.2332   13.552   6.6216   12.025   5.9590 1.527782 8.908185 
1 1 1   11   31    4 o   12.625   5.9008   0.0323   2.8993   4.9413   4.0934  -4.9101   4.1072   17.813   7.7711   11.437   5.7012 6.375447 9.638167 
1 1 1   11   31    5 o   11.890   5.6429  -0.5846   2.8401  -1.3625   4.0185   0.1917   4.0144   12.786   6.2271   13.674   6.5498 -0.8871698 9.037532 
1 1 1   11   31    6 o   12.781   5.9513   0.5885   2.9055  -4.6784   4.0427   6.2155   4.1786   11.153   5.5744   18.248   7.9072 -7.094828 9.674570 
1 1 1   11   31    7 o   15.579   6.6528   3.3838   2.8766   3.6141   4.0903   3.1584   4.0463   15.460   7.1513   15.111   7.0319 0.3489523 10.02941 
1 1 1   11   31    8 o   10.671   5.2037  -1.6319   2.8329   4.4488   4.0630  -7.3849   3.9520   15.767   7.2329   9.8657   5.0021 5.900945 8.794105 
1 1 1   11   31    9 o   19.978   7.1665   6.5697   2.8550   10.257   4.1345   3.2088   3.9473   21.357   8.4061   14.443   6.7932 6.914073 10.80788 
1 1 1   11   31   10 o   10.625   5.2122  -1.5609   2.9694  -1.8318   4.1844  -1.2862   4.2144   11.659   5.8024   11.898   5.9049 -0.2394361 8.278616 
1 1 1   11   32    0 o   9.8860   6.9263  -0.4753   4.0430  -0.4753   4.0430  -0.4753   4.0430   9.8860   6.9263   9.8860   6.9263 0.000000 0.000000 
1 1 1   11   32    1 o   11.415   5.4832  -0.4507   2.8574  -4.7691   3.9731   4.1757   4.1124   10.630   5.3432   15.338   7.1213 -4.708143 8.902926 
1 1 1   11   32    2 o   11.486   5.5198  -0.3697   2.9032   5.6368   4.1943  -5.8945   4.0226   16.380   7.4510   10.291   5.1981 6.089005 9.085029 
1 1 1   11   32    3 o   10.720   5.2388  -1.4832   2.9155  -3.2688   4.1702   0.2238   4.0775   11.259   5.6327   12.684   6.1979 -1.424610 8.375043 
1 1 1   11   32    4 o   13.455   6.1420   2.1555   2.8821   2.0452   4.0436   2.2694   4.1091   13.562   6.5165   13.706   6.5814 -0.1440105 9.261777 
1 1 1   11   32    5 o   10.462   5.1284  -1.5815   2.8588  -1.2467   4.0378  -1.9181   4.0483   11.777   5.8333   11.506   5.7231 0.2711048 8.171941 
1 1 1   11   32    6 o   11.063   5.4064  -0.9387   3.1050  -3.3026   4.3329   1.5569   4.4519   11.155   5.6031   13.145   6.4344 -1.989923 8.532133 
1 1 1   12    0    0 o  789.134   6.1688  4888.49   76.384  4888.49   76.384  4888.49   76.384  789.134   6.1688  789.134   6.1688 0.000000 0.000000 
1 1 1   12    0    1 o  126.173   2.3027  125.047   4.5561  125.047   4.5561  125.047   4.5561  126.173   2.3027  126.173   2.3027 0.000000 0.000000 
1 1 1   12    0    2 o  587.305   3.4159  2707.20   31.481  2707.20   31.481  2707.20   31.481  587.305   3.4159  587.305   3.4159 0.000000 0.000000 
1 1 1   12    0    3 o  149.268   2.3976  174.977   5.6131  174.977   5.6131  174.977   5.6131  149.268   2.3976  149.268   2.3976 0.000000 0.000000 
1 1 1   12    0    4 f  292.204   2.8477  670.232   13.055  670.232   13.055  670.232   13.055  292.204   2.8477  292.204   2.8477 0.000000 0.000000 
1 1 1   12    0    5 o  239.426   2.2540  449.957   8.4674  449.957   8.4674  449.957   8.4674  239.426   2.2540  239.426   2.2540 0.000000 0.000000 
1 1 1   12    0    6 o  236.177   2.2535  437.832   8.3505  437.832   8.3505  437.832   8.3505  236.177   2.2535  236.177   2.2535 0.000000 0.000000 
1 1 1   12    0    7 o  499.565   3.4907  1958.98   27.363  1958.98   27.363  1958.98   27.363  499.565   3.4907  499.565   3.4907 0.000000 0.000000 
1 1 1   12    0    8 o  398.241   3.0068  1244.88   18.789  1244.88   18.789  1244.88   18.789  398.241   3.0068  398.241   3.0068 0.000000 0.000000 
1 1 1   12    0    9 o   57.797   3.6157   26.525   3.2497   26.525   3.2497   26.525   3.2497   57.797   3.6157   57.797   3.6157 0.000000 0.000000 
1 1 1   12    0   10 o  103.882   2.5776   84.849   4.1962   84.849   4.1962   84.849   4.1962  103.882   2.5776  103.882   2.5776 0.000000 0.000000 
1 1 1   12    0   11 o  159.019   2.1408  198.559   5.3401  198.559   5.3401  198.559   5.3401  159.019   2.1408  159.019   2.1408 0.000000 0.000000 
1 1 1   12    0   12 o  242.403   2.6454  461.389   10.060  461.389   10.060  461.389   10.060  242.403   2.6454  242.403   2.6454 0.000000 0.000000 
1 1 1   12    0   13 o  232.152   2.0665  423.120   7.5272  423.120   7.5272  423.120   7.5272  232.152   2.0665  232.152   2.0665 0.000000 0.000000 
1 1 1   12    0   14 o  408.554   2.6405  1310.81   16.928  1310.81   16.928  1310.81   16.928  408.554   2.6405  408.554   2.6405 0.000000 0.000000 
1 1 1   12    0   15 o   48.083   3.3594   18.430   2.5060   18.430   2.5060   18.430   2.5060   48.083   3.3594   48.083   3.3594 0.000000 0.000000 
1 1 1   12    0   16 o  236.749   2.4052  440.318   8.9341  440.318   8.9341  440.318   8.9341  236.749   2.4052  236.749   2.4052 0.000000 0.000000 
1 1 1   12    0   17 o  145.353   2.3080  166.066   5.2616  166.066   5.2616  166.066   5.2616  145.353   2.3080  145.353   2.3080 0.000000 0.000000 
1 1 1   12    0   18 o  119.281   2.4001  111.919   4.4887  111.919   4.4887  111.919   4.4887  119.281   2.4001  119.281   2.4001 0.000000 0.000000 
1 1 1   12    0   19 f   52.597   3.5950   22.083   2.9350   22.083   2.9350   22.083   2.9350   52.597   3.5950   52.597   3.5950 0.000000 0.000000 
1 1 1   12    0   20 o   29.946   5.7043   7.8140   2.3983   7.8140   2.3983   7.8140   2.3983   29.946   5.7043   29.946   5.7043 0.000000 0.000000 
1 1 1   12    0   21 o   80.019   3.1860   50.687   3.9864   50.687   3.9864   50.687   3.9864   80.019   3.1860   80.019   3.1860 0.000000 0.000000 
1 1 1   12    0   22 o   13.930   7.5621   2.2313   2.3251   2.2313   2.3251   2.2313   2.3251   13.930   7.5621   13.930   7.5621 0.000000 0.000000 
1 1 1   12    0   23 o   12.312   7.2166   1.4902   2.3418   1.4902   2.3418   1.4902   2.3418   12.312   7.2166   12.312   7.2166 0.000000 0.000000 
1 1 1   12    0   24 o   59.912   3.0476   28.582   2.8483   28.582   2.8483   28.582   2.8483   59.912   3.0476   59.912   3.0476 0.000000 0.000000 
1 1 1   12    0   25 o   14.237   7.7546   2.4044   2.4531   2.4044   2.4531   2.4044   2.4531   14.237   7.7546   14.237   7.7546 0.000000 0.000000 
1 1 1   12    0   26 f   20.828   7.9140   4.8230   2.4312   4.8230   2.4312   4.8230   2.4312   20.828   7.9140   20.828   7.9140 0.000000 0.000000 
1 1 1   12    0   27 o   9.5451   6.2498  -0.0988   2.3231  -0.0988   2.3231  -0.0988   2.3231   9.5451   6.2498   9.5451   6.2498 0.000000 0.000000 
1 1 1   12    0   28 o   43.255   3.8865   15.457   2.5868   15.457   2.5868   15.457   2.5868   43.255   3.8865   43.255   3.8865 0.000000 0.000000 
1 1 1   12    0   29 o   17.668   7.9487   3.9911   2.3586   3.9911   2.3586   3.9911   2.3586   17.668   7.9487   17.668   7.9487 0.000000 0.000000 
1 1 1   12    0   30 o   17.112   8.1391   3.9404   2.4918   3.9404   2.4918   3.9404   2.4918   17.112   8.1391   17.112   8.1391 0.000000 0.000000 
1 1 1   12    0   31 o   6.9726   4.9368  -2.2976   2.2314  -2.2976   2.2314  -2.2976   2.2314   6.9726   4.9368   6.9726   4.9368 0.000000 0.000000 
1 1 1   12    0   32 o   7.7855   5.2889  -0.4812   1.9526  -0.4812   1.9526  -0.4812   1.9526   7.7855   5.2889   7.7855   5.2889 0.000000 0.000000 
1 1 1   12    1    0 o  689.570   3.8892  3732.23   42.084  3732.23   42.084  3732.23   42.084  689.570   3.8892  689.570   3.8892 0.000000 0.000000 
1 1 1   12    1    1 o  534.986   2.2487  2246.07   18.879  2247.79   26.719  2244.36   26.678  535.152   3.1815  534.744   3.1791 0.4078369 4.497645 
1 1 1   12    1    2 o  148.892   1.4637  173.960   3.4200  175.744   4.8585  172.207   4.8151  149.650   2.0688  148.136   2.0713 1.513626 2.927479 
1 1 1   12    1    3 o  233.218   1.4857  426.805   5.4374  432.017   7.7399  421.726   7.6405  234.630   2.1021  231.819   2.1002 2.811447 2.971460 
1 1 1   12    1    4 o  120.038   1.6551  113.072   3.1179  111.799   4.3950  114.361   4.4239  119.356   2.3464  120.716   2.3352 -1.359947 3.310456 
1 1 1   12    1    5 o  188.587   1.4399  279.079   4.2613  274.938   5.9833  283.342   6.0703  187.176   2.0370  190.015   2.0357 -2.838974 2.879835 
1 1 1   12    1    6 o  362.975   2.0212  1033.94   11.513  1036.21   16.308  1031.68   16.256  363.347   2.8600  362.553   2.8572 0.7939453 4.042678 
1 1 1   12    1    7 o  526.021   2.5614  2171.69   21.144  2171.56   29.897  2171.83   29.908  525.935   3.6224  525.967   3.6234 -0.3283691E-01 5.123555 
1 1 1   12    1    8 o  600.806   2.8350  2833.34   26.730  2821.41   37.645  2845.47   37.962  599.435   4.0018  601.984   4.0184 -2.548828 5.671141 
1 1 1   12    1    9 o  341.721   2.0396  916.443   10.938  912.373   16.167  919.879   14.853  340.921   3.0218  342.333   2.7647 -1.411591 4.095705 
1 1 1   12    1   10 o  267.354   1.6932  560.950   7.1041  561.581   9.7042  560.221   10.428  267.484   2.3118  267.153   2.4874 0.3306885 3.395821 
1 1 1   12    1   11 o  211.122   1.4858  349.799   4.9227  350.525   7.1967  349.161   6.7485  211.320   2.1701  210.913   2.0389 0.4070129 2.977674 
1 1 1   12    1   12 o  189.635   1.4639  282.237   4.3565  282.290   5.9863  282.177   6.3520  189.633   2.0116  189.590   2.1350 0.4324341E-01 2.933333 
1 1 1   12    1   13 o  220.589   1.4484  381.930   5.0140  378.477   7.0673  385.429   7.1148  219.555   2.0512  221.562   2.0463 -2.007629 2.897331 
1 1 1   12    1   14 o  142.774   1.4246  160.013   3.1920  157.643   4.4888  162.438   4.5400  141.683   2.0188  143.822   2.0115 -2.138947 2.849893 
1 1 1   12    1   15 o  103.763   1.6428   84.538   2.6750   91.122   3.8424   78.345   3.7264  107.695   2.2735   99.853   2.3781 7.841621 3.290007 
1 1 1   12    1   16 o  177.064   1.5168  246.172   4.2147  240.893   5.9121  251.627   6.0100  175.093   2.1516  178.953   2.1401 -3.859482 3.034700 
1 1 1   12    1   17 o   82.958   1.9225   54.074   2.5029   52.588   3.5547   55.535   3.5248   81.703   2.7764   83.975   2.6781 -2.272148 3.857571 
1 1 1   12    1   18 o  190.482   1.6466  285.046   4.9221  280.681   6.9154  289.528   7.0072  188.901   2.3328  191.856   2.3274 -2.954956 3.295226 
1 1 1   12    1   19 o   17.435   5.7449   2.3262   1.8220   3.8062   2.6022   0.9029   2.5520   21.820   6.8355   16.045   6.5058 5.775320 9.436666 
1 1 1   12    1   20 o   40.934   2.8894   13.283   1.8442   14.860   2.6626   11.829   2.5568   43.122   3.9794   38.363   4.3221 4.758492 5.875037 
1 1 1   12    1   21 o   35.731   4.2912   10.308   2.3581   11.268   3.5270   9.5311   3.1710   36.823   6.3318   33.836   6.2002 2.986252 8.861956 
1 1 1   12    1   22 o   67.435   1.9419   35.852   2.0529   37.053   2.8860   34.621   2.9208   68.407   2.6936   66.091   2.8226 2.315590 3.901644 
1 1 1   12    1   23 o   79.921   1.7612   50.319   2.2089   48.577   3.0979   52.121   3.1506   78.321   2.5238   81.144   2.4771 -2.823074 3.536273 
1 1 1   12    1   24 o   50.350   2.4188   20.117   1.9056   20.651   2.7275   19.608   2.6635   50.725   3.4468   49.419   3.4562 1.306042 4.881177 
1 1 1   12    1   25 o   35.958   3.2319   10.419   1.8043   10.896   2.5635   9.9502   2.5400   36.308   4.6024   34.595   4.8083 1.713417 6.655973 
1 1 1   12    1   26 o   14.064   5.3947   1.2267   1.6691   0.6807   2.3718   1.7624   2.3492   14.716   6.1492   16.535   6.3851 -1.818905 8.864667 
1 1 1   12    1   27 o   11.576   5.0056   0.0227   1.6673  -1.6717   2.3382   1.7755   2.3782   11.489   5.3461   16.392   6.3980 -4.902858 8.337564 
1 1 1   12    1   28 o   21.462   5.0893   4.1234   1.6879   4.1562   2.4062   4.0917   2.3684   20.996   6.5724   20.859   6.5193 0.1370525 9.257277 
1 1 1   12    1   29 o   28.123   3.9033   6.7769   1.6763   5.5340   2.3811   7.9983   2.3603   23.844   6.2782   29.643   5.2668 -5.798983 8.194843 
1 1 1   12    1   30 o   13.435   5.3937   1.1944   1.7349   0.7828   2.4388   1.6160   2.4686   14.048   6.0641   15.340   6.3296 -1.291862 8.765650 
1 1 1   12    1   31 o   17.248   5.4538   2.9285   1.6528   2.5110   2.3927   3.3095   2.2858   16.301   6.4013   17.859   6.4117 -1.557751 9.060103 
1 1 1   12    1   32 o   12.197   4.8840   1.1848   1.4188   1.7406   2.0095   0.6322   2.0035   13.936   5.7264   12.159   5.3663 1.777341 7.847863 
1 1 1   12    2    0 o  346.503   2.7982  942.378   15.213  942.378   15.213  942.378   15.213  346.503   2.7982  346.503   2.7982 0.000000 0.000000 
1 1 1   12    2    1 o  388.326   1.9472  1183.36   11.866  1187.79   16.829  1178.98   16.734  389.031   2.7566  387.586   2.7512 1.445496 3.894588 
1 1 1   12    2    2 o  324.913   1.6656  828.414   8.4929  834.351   12.077  822.604   11.946  326.062   2.3601  323.759   2.3512 2.303162 3.331422 
1 1 1   12    2    3 o  143.819   1.9817  162.316   4.4726  165.067   6.7929  160.210   5.9424  145.022   2.9848  142.876   2.6503 2.145752 3.991642 
1 1 1   12    2    4 o  356.713   1.9305  998.536   10.807  1020.20   17.721  985.710   13.636  360.527   3.1321  354.402   2.4518 6.125183 3.977589 
1 1 1   12    2    5 f  482.634   2.3180  1828.06   17.557  1818.28   23.845  1839.64   25.947  481.305   3.1569  484.110   3.4153 -2.804352 4.650863 
1 1 1   12    2    6 o  406.383   2.1549  1296.05   13.742  1296.06   19.429  1296.05   19.441  406.350   3.0468  406.347   3.0486 0.2532959E-02 4.310126 
1 1 1   12    2    7 o  191.500   1.6563  287.783   4.9777  284.843   7.0120  290.770   7.0672  190.509   2.3454  192.480   2.3397 -1.971817 3.312876 
1 1 1   12    2    8 o  343.688   1.9610  927.000   10.577  924.313   14.929  929.708   14.987  343.161   2.7722  344.160   2.7749 -0.9998169 3.922359 
1 1 1   12    2    9 o  241.370   1.7190  457.200   6.5111  462.520   9.2544  451.985   9.1626  242.753   2.4293  239.972   2.4330 2.780609 3.438185 
1 1 1   12    2   10 o  263.862   2.0336  546.442   8.4205  541.509   12.583  550.442   11.332  262.626   3.0532  264.799   2.7269 -2.172882 4.093634 
1 1 1   12    2   11 o  124.771   1.5383  122.177   3.0121  123.377   4.1477  120.839   4.3815  125.372   2.1082  124.072   2.2503 1.299332 3.083527 
1 1 1   12    2   12 o   68.395   1.9103   36.748   2.0484   34.063   2.8986   39.427   2.8951   65.798   2.8137   70.811   2.6097 -5.012947 3.837674 
1 1 1   12    2   13 o   79.767   1.7381   49.949   2.1757   47.118   3.0620   52.837   3.0921   77.411   2.5239   81.987   2.4059 -4.575485 3.486909 
1 1 1   12    2   14 o  196.147   1.4213  302.012   4.3750  301.435   6.1816  302.591   6.1929  195.918   2.0106  196.293   2.0104 -0.3751678 2.843243 
1 1 1   12    2   15 o  121.709   1.5639  116.304   2.9869  122.052   4.2904  110.898   4.1609  124.643   2.1934  118.808   2.2317 5.834290 3.129148 
1 1 1   12    2   16 f  119.413   1.5776  111.974   2.9563  113.676   4.1874  110.282   4.1743  120.272   2.2186  118.461   2.2454 1.810799 3.156597 
1 1 1   12    2   17 o  146.281   1.5281  168.049   3.5078  167.669   4.9327  168.438   4.9893  146.052   2.1521  146.384   2.1719 -0.3320770 3.057587 
1 1 1   12    2   18 o  146.201   1.5399  167.899   3.5331  168.605   4.9721  167.179   5.0214  146.430   2.1637  145.805   2.1945 0.6249237 3.081845 
1 1 1   12    2   19 o   26.682   4.1923   5.7717   1.6976   2.4359   2.3689   9.2929   2.4339   18.535   6.5404   33.901   4.7013 -15.36597 8.054754 
1 1 1   12    2   20 o   57.795   2.2628   26.338   2.0484   26.508   2.8987   26.168   2.8950   57.841   3.2060   57.465   3.2231 0.3762512 4.546095 
1 1 1   12    2   21 o   36.693   3.5580   10.773   2.0231   12.996   3.1402   9.1965   2.6452   39.954   5.1263   33.489   5.2020 6.464962 7.303442 
1 1 1   12    2   22 o   40.421   2.9710   13.008   1.8714   14.878   2.6824   11.235   2.6121   42.998   4.0220   37.168   4.5747 5.830257 6.091362 
1 1 1   12    2   23 o   87.501   1.7554   60.318   2.4105   57.015   3.3165   64.017   3.5094   84.862   2.4931   89.928   2.4892 -5.066055 3.522976 
1 1 1   12    2   24 o   25.241   4.5953   5.3096   1.7532   6.6469   2.4820   3.9779   2.4768   27.899   5.8560   21.649   6.6503 6.249825 8.861154 
1 1 1   12    2   25 o   36.403   3.2461   10.680   1.8350   6.8033   2.5950   14.558   2.5951   28.027   6.0757   42.293   3.9559 -14.26652 7.250011 
1 1 1   12    2   26 o   29.673   3.8721   7.2521   1.7601   6.9575   2.5086   7.5378   2.4702   28.257   5.8500   29.588   5.5231 -1.331451 8.045290 
1 1 1   12    2   27 o   28.364   4.0208   6.7268   1.7396   8.8072   2.4881   4.7371   2.4332   31.961   5.1345   22.792   6.4909 9.169241 8.276151 
1 1 1   12    2   28 o   13.987   5.3859   1.3535   1.6681   0.3322   2.3966   2.3131   2.3232   13.778   5.9793   16.954   6.3972 -3.176199 8.756534 
1 1 1   12    2   29 o   13.834   5.3303   1.4018   1.6346   2.3118   2.3319   0.5228   2.2918   16.614   6.3757   13.563   5.8667 3.050961 8.664148 
1 1 1   12    2   30 o   14.855   5.5360   1.8552   1.7284   0.7450   2.4585   2.9401   2.4304   14.019   6.0699   17.645   6.5668 -3.626590 8.942453 
1 1 1   12    2   31 o   9.6518   4.3998  -0.4597   1.4725  -0.8171   2.0850  -0.1040   2.0798   10.949   5.0791   11.772   5.3115 -0.8228922 7.349063 
1 1 1   12    2   32 o   9.8936   4.4959  -0.2079   1.5223  -1.4861   2.2111   0.9442   2.0991   10.238   4.8925   12.734   5.5601 -2.495952 7.406166 
1 1 1   12    3    0 o  463.220   2.8818  1684.05   20.947  1684.05   20.947  1684.05   20.947  463.220   2.8818  463.220   2.8818 0.000000 0.000000 
1 1 1   12    3    1 o  337.026   1.6971  891.333   8.9758  895.933   12.739  886.798   12.649  337.880   2.4025  336.153   2.3978 1.726868 3.394324 
1 1 1   12    3    2 o  243.916   1.5177  466.862   5.8095  466.722   8.2205  467.001   8.2113  243.871   2.1480  243.944   2.1449 -0.7298279E-01 3.035548 
1 1 1   12    3    3 o  326.435   1.8555  836.213   9.5050  845.123   13.072  826.217   13.845  328.155   2.5385  324.459   2.7191 3.695984 3.719875 
1 1 1   12    3    4 o  333.312   1.9435  871.828   10.166  878.201   14.460  865.600   14.295  334.507   2.7545  332.099   2.7428 2.408234 3.887196 
1 1 1   12    3    5 o  445.504   2.2844  1557.61   15.971  1545.38   22.430  1570.18   22.746  443.713   3.2212  447.258   3.2408 -3.544861 4.569334 
1 1 1   12    3    6 o  167.646   1.8366  220.556   4.8320  224.267   6.2580  215.077   7.6039  169.043   2.3590  165.534   2.9271 3.509399 3.759394 
1 1 1   12    3    7 o  675.738   3.1194  3584.40   33.079  3588.20   46.827  3580.62   46.736  675.952   4.4144  675.239   4.4105 0.7130127 6.240152 
1 1 1   12    3    8 o  229.876   1.5788  414.678   5.6956  413.457   8.0339  415.913   8.0758  229.524   2.2304  230.205   2.2354 -0.6805420 3.157858 
1 1 1   12    3    9 o   73.734   2.1782   42.707   2.5177   41.307   3.5457   44.131   3.5757   72.470   3.1250   74.915   3.0478 -2.444839 4.365190 
1 1 1   12    3   10 o   95.203   1.6556   71.130   2.4735   65.750   3.4392   76.896   3.5600   91.491   2.3974   98.978   2.2920 -7.487122 3.316756 
1 1 1   12    3   11 o  328.180   1.6603  845.288   8.5510  845.399   12.091  845.177   12.095  328.161   2.3479  328.118   2.3488 0.4321289E-01 3.321087 
1 1 1   12    3   12 o  217.371   1.4479  370.845   4.9390  361.137   6.8960  381.069   7.0773  214.480   2.0488  220.320   2.0469 -5.839462 2.896135 
1 1 1   12    3   13 o  331.231   1.6668  861.278   8.6642  865.862   12.300  856.763   12.207  332.032   2.3605  330.284   2.3551 1.748474 3.334447 
1 1 1   12    3   14 f  118.410   1.4791  110.068   2.7485  111.178   3.8818  108.951   3.8921  118.978   2.0790  117.779   2.1058 1.199028 2.959158 
1 1 1   12    3   15 o   51.275   2.3262   20.701   1.8669   17.128   2.6046   24.477   2.6773   46.504   3.5969   55.698   3.0750 -9.194733 4.732149 
1 1 1   12    3   16 o   92.269   1.7479   66.868   2.5309   65.265   3.5531   68.519   3.6059   91.077   2.4883   93.324   2.4643 -2.246826 3.502055 
1 1 1   12    3   17 o  138.232   1.5630  150.076   3.3906  144.940   4.7078  155.611   4.8871  135.781   2.2094  140.690   2.2135 -4.908951 3.127481 
1 1 1   12    3   18 o  136.693   1.5784  146.784   3.3858  147.234   4.7566  146.320   4.8207  136.825   2.2153  136.394   2.2522 0.4306030 3.159076 
1 1 1   12    3   19 o   72.460   1.9855   41.319   2.2557   38.148   3.1604   44.612   3.2204   69.504   2.9039   75.197   2.7335 -5.693367 3.988088 
1 1 1   12    3   20 o   38.017   3.0279   11.482   1.7916   11.688   2.5410   11.278   2.5264   38.120   4.3238   37.424   4.3848 0.6959610 6.158086 
1 1 1   12    3   21 f   9.6439   4.4992  -1.5464   1.6732  -0.0127   2.3968  -3.0043   2.3368   14.119   6.0519   10.588   5.0512 3.531220 7.882912 
1 1 1   12    3   22 o   56.221   2.3106   24.987   2.0343   24.383   2.9569   25.530   2.8030   55.290   3.4247   56.646   3.1658 -1.355610 4.663752 
1 1 1   12    3   23 o   65.174   2.1344   33.568   2.1800   33.470   3.1213   33.661   3.0461   64.832   3.0767   65.042   2.9924 -0.2104874 4.291894 
1 1 1   12    3   24 o   48.915   2.6742   19.044   2.0450   19.680   2.9705   18.471   2.8194   49.354   3.8662   47.832   3.7870 1.521477 5.411907 
1 1 1   12    3   25 o   75.309   1.9813   44.863   2.3396   47.634   3.4231   42.434   3.2049   77.281   2.8273   72.945   2.8050 4.336678 3.982631 
1 1 1   12    3   26 o   48.378   2.5260   18.686   1.9111   19.057   2.7772   18.353   2.6338   48.393   3.6847   47.544   3.5558 0.8494873 5.120620 
1 1 1   12    3   27 o   11.928   5.1103   0.1723   1.7075   1.4920   2.4515  -1.0712   2.3797   15.958   6.4098   12.209   5.5762 3.748844 8.495852 
1 1 1   12    3   28 f   9.0600   4.2926  -1.6375   1.6301  -2.5012   2.3456  -0.8306   2.2671   10.552   5.0416   11.962   5.4554 -1.409622 7.428235 
1 1 1   12    3   29 o   14.650   5.5007   1.7146   1.7130   2.6479   2.3434   0.6438   2.5102   17.251   6.4426   14.147   6.1294 3.103594 8.892554 
1 1 1   12    3   30 o   10.096   4.6084  -0.6052   1.6223   0.7932   2.4928  -1.6326   2.1367   14.123   6.1136   10.484   4.9514 3.639565 7.867193 
1 1 1   12    3   31 o   16.955   5.2066   2.8179   1.5183   1.3333   2.1665   4.2508   2.1285   13.949   5.8561   20.029   6.1672 -6.079684 8.504636 
1 1 1   12    3   32 o   11.281   4.7161   0.7924   1.3961   1.1641   2.0148   0.4492   1.9364   12.922   5.5439   11.740   5.2233 1.181713 7.616951 
1 1 1   12    4    0 f  839.030   4.9301  5526.34   64.910  5526.34   64.910  5526.34   64.910  839.030   4.9301  839.030   4.9301 0.000000 0.000000 
1 1 1   12    4    1 o  193.368   1.7200  293.417   5.2195  288.744   7.3608  298.143   7.4024  191.813   2.4454  194.911   2.4201 -3.097427 3.440432 
1 1 1   12    4    2 o  487.066   2.4331  1861.80   18.597  1874.12   26.469  1849.78   26.135  488.630   3.4518  485.447   3.4307 3.183380 4.866673 
1 1 1   12    4    3 o  578.236   2.7583  2624.18   25.029  2624.89   35.407  2623.47   35.386  578.243   3.9019  578.087   3.9006 0.1564331 5.517209 
1 1 1   12    4    4 o  304.858   1.8679  729.328   8.9362  714.589   12.468  744.896   12.814  301.744   2.6331  308.076   2.6505 -6.331818 3.736081 
1 1 1   12    4    5 o  165.119   1.7431  213.954   4.5167  220.214   6.7683  208.927   6.0646  167.506   2.5748  163.160   2.3686 4.346085 3.498509 
1 1 1   12    4    6 o  449.581   2.3053  1586.31   16.265  1586.79   21.286  1585.64   25.213  449.612   3.0168  449.416   3.5749 0.1966858 4.677742 
1 1 1   12    4    7 o  126.755   1.6836  126.084   3.3490  123.019   4.5049  129.872   5.0071  125.198   2.2929  128.635   2.4804 -3.437622 3.377812 
1 1 1   12    4    8 o  169.515   1.4544  225.495   3.8690  224.301   5.4549  226.705   5.4883  169.057   2.0561  169.961   2.0577 -0.9034271 2.908907 
1 1 1   12    4    9 o  171.789   1.5483  231.595   4.1741  225.773   5.4940  239.543   6.4195  169.607   2.0641  174.697   2.3416 -5.089249 3.121486 
1 1 1   12    4   10 o  377.996   1.7924  1121.38   10.633  1131.14   15.136  1111.87   14.940  379.593   2.5408  376.346   2.5295 3.246857 3.585310 
1 1 1   12    4   11 o  293.146   1.5843  674.450   7.2885  662.020   10.178  687.535   10.442  290.397   2.2334  295.939   2.2484 -5.542297 3.169142 
1 1 1   12    4   12 o   95.254   1.6244   71.219   2.4282   67.774   3.4178   74.730   3.4504   92.874   2.3469   97.558   2.2537 -4.683578 3.253757 
1 1 1   12    4   13 o  190.343   1.4276  284.390   4.2643  278.693   5.9846  290.266   6.0777  188.390   2.0243  192.263   2.0144 -3.872559 2.855760 
1 1 1   12    4   14 f   64.734   1.9883   32.941   2.0175   32.120   2.8017   33.826   2.9075   63.862   2.8024   65.536   2.8337 -1.673798 3.985430 
1 1 1   12    4   15 o  109.727   1.5293   94.533   2.6334   97.709   3.7366   91.399   3.7119  111.520   2.1351  107.856   2.1930 3.664406 3.060734 
1 1 1   12    4   16 o   17.178   5.4353   2.3027   1.6414   4.7844   2.3489  -0.0655   2.2946   24.085   6.1833   13.876   5.9341 10.20920 8.570098 
1 1 1   12    4   17 o  119.360   1.6824  111.918   3.1513  108.021   4.5703  115.450   4.3510  117.184   2.4852  121.169   2.2882 -3.985680 3.378198 
1 1 1   12    4   18 o  118.350   1.6467  110.049   3.0583  106.776   4.2531  113.553   4.4009  116.500   2.3263  120.138   2.3343 -3.638855 3.295563 
1 1 1   12    4   19 o   64.071   2.1748   32.335   2.1835   30.193   3.0511   34.584   3.1262   61.775   3.1577   66.148   3.0196 -4.372654 4.369092 
1 1 1   12    4   20 o  117.325   1.5507  108.192   2.8552  104.295   3.9913  112.276   4.0861  115.091   2.2099  119.419   2.1804 -4.327629 3.104423 
1 1 1   12    4   21 o   78.437   1.8352   48.421   2.2590   45.843   3.1739   51.069   3.2159   76.148   2.6601   80.400   2.5521 -4.251617 3.686351 
1 1 1   12    4   22 o   81.112   1.8155   51.818   2.3109   52.546   3.2919   51.110   3.2449   81.486   2.5775   80.364   2.5763 1.122307 3.644271 
1 1 1   12    4   23 o   26.473   4.4455   5.7894   1.7814   5.5041   2.5645   6.0555   2.4764   25.294   6.4437   26.623   6.0633 -1.328474 8.847873 
1 1 1   12    4   24 o   22.238   5.5214   4.2269   1.9180   2.3316   2.8969   5.7061   2.5592   18.722   7.1253   25.642   6.3846 -6.920055 9.567316 
1 1 1   12    4   25 o   26.952   4.6297   6.0837   1.8877   6.5135   2.7529   5.7022   2.5934   27.206   6.5308   25.463   6.4762 1.742836 9.197428 
1 1 1   12    4   26 o   20.826   5.5055   3.7809   1.8264   2.3363   2.6471   5.0932   2.5231   18.023   6.8224   23.856   6.5438 -5.833370 9.453347 
1 1 1   12    4   27 o   48.465   2.6813   18.916   2.0314   19.301   2.9526   18.571   2.7991   48.256   3.9331   47.418   3.7931 0.8378220 5.464153 
1 1 1   12    4   28 o   14.020   5.4607   1.3406   1.7295   0.4352   2.5879   2.0714   2.3249   14.259   6.2004   16.402   6.3471 -2.143610 8.873058 
1 1 1   12    4   29 o   13.114   5.2439   1.0904   1.6333  -1.5575   2.3735   3.4719   2.2509   11.289   5.2965   18.950   6.3888 -7.660307 8.298796 
1 1 1   12    4   30 o   12.810   5.2557   0.9492   1.6895   0.5737   2.6624   1.2023   2.1860   14.098   6.2054   14.177   5.9122 -0.7903385E-01 8.570935 
1 1 1   12    4   31 o   19.526   5.0106   3.7182   1.5429   0.9423   2.2168   6.3260   2.1487   13.336   5.7690   25.095   5.5984 -11.75947 8.038890 
1 1 1   12    4   32 o   8.7933   4.1097  -0.7461   1.4061   0.4940   2.0481  -1.8517   1.9339   11.966   5.3448   9.2090   4.4455 2.757075 6.951910 
1 1 1   12    5    0 o  361.307   4.9749  1025.30   28.195  1025.30   28.195  1025.30   28.195  361.307   4.9749  361.307   4.9749 0.000000 0.000000 
1 1 1   12    5    1 o  419.858   2.7029  1383.52   17.809  1382.73   25.194  1384.31   25.177  419.688   3.8253  419.927   3.8205 -0.2396545 5.406398 
1 1 1   12    5    2 f  530.753   2.9922  2211.01   24.922  2241.55   33.915  2175.17   36.745  534.340   4.0445  526.338   4.4487 8.001953 6.012380 
1 1 1   12    5    3 o  128.011   1.8709  128.595   3.7585  127.214   5.5900  129.735   5.0776  127.312   2.7979  128.571   2.5166 -1.258255 3.763164 
1 1 1   12    5    4 o  309.691   1.8097  752.643   8.7950  745.460   12.843  758.987   12.069  308.188   2.6554  310.977   2.4732 -2.789246 3.628720 
1 1 1   12    5    5 o  272.331   1.7259  582.002   7.3759  585.115   10.095  578.437   10.803  273.044   2.3561  271.477   2.5356 1.567566 3.461295 
1 1 1   12    5    6 o  191.215   1.6997  286.930   5.1005  280.167   7.1023  294.133   7.3293  188.936   2.3954  193.588   2.4125 -4.651291 3.399760 
1 1 1   12    5    7 o  315.913   1.7630  783.201   8.7404  775.285   11.515  793.962   13.425  314.296   2.3346  318.047   2.6899 -3.750519 3.561722 
1 1 1   12    5    8 f  485.009   2.1013  1846.19   15.994  1836.87   22.516  1855.68   22.723  483.728   2.9661  486.197   2.9782 -2.468689 4.203208 
1 1 1   12    5    9 o  217.542   1.5766  371.391   5.3823  372.532   7.1459  369.894   8.1823  217.863   2.0901  217.080   2.4019 0.7826843 3.183957 
1 1 1   12    5   10 o  431.359   1.9420  1460.46   13.146  1469.95   18.692  1451.17   18.491  432.690   2.7528  429.918   2.7408 2.771606 3.884582 
1 1 1   12    5   11 o  221.225   1.4711  384.106   5.1071  378.905   7.1549  389.509   7.2921  219.697   2.0753  222.749   2.0861 -3.052231 2.942522 
1 1 1   12    5   12 o   49.662   2.4636   19.417   1.9140   22.331   2.7115   16.524   2.7020   53.205   3.2633   45.682   3.8035 7.522697 5.011564 
1 1 1   12    5   13 o   60.821   2.0946   29.086   1.9962   34.439   2.8585   23.991   2.7890   66.142   2.7600   55.142   3.2373 11.00011 4.254094 
1 1 1   12    5   14 o   89.564   1.6684   62.986   2.3450   62.431   3.2956   63.555   3.3374   89.108   2.3588   89.906   2.3675 -0.7981873 3.342004 
1 1 1   12    5   15 f   87.029   1.6948   59.480   2.3147   57.779   3.2327   61.269   3.3157   85.705   2.4059   88.258   2.3962 -2.553177 3.395590 
1 1 1   12    5   16 o  146.684   1.4651  168.956   3.3724  163.026   4.6850  175.334   4.8584  144.031   2.0728  149.369   2.0727 -5.338150 2.931247 
1 1 1   12    5   17 o   49.820   2.4511   19.572   1.9104   16.140   2.6869   23.082   2.7168   45.050   3.8371   54.022   3.2193 -8.971836 5.008716 
1 1 1   12    5   18 o  134.655   1.5562  142.449   3.2885  140.821   4.4463  144.416   4.8859  133.813   2.1173  135.482   2.2980 -1.669434 3.124754 
1 1 1   12    5   19 o  138.630   1.6144  151.034   3.5122  153.374   4.9502  148.662   4.9840  139.594   2.2597  137.424   2.3111 2.170593 3.232223 
1 1 1   12    5   20 o   37.918   3.3338   11.461   1.9636   10.998   2.8100   11.903   2.7449   36.777   4.9980   38.370   4.6536 -1.592911 6.829096 
1 1 1   12    5   21 o   74.654   1.9532   43.918   2.2863   43.985   3.3403   43.860   3.1360   74.527   2.8614   74.462   2.6881 0.6550598E-01 3.925989 
1 1 1   12    5   22 o  101.508   1.6335   81.108   2.6021   81.394   3.7029   80.829   3.6574  101.522   2.3242  101.174   2.3035 0.3475571 3.272349 
1 1 1   12    5   23 o   22.007   5.5471   4.1171   1.9148  -0.2532   2.9935   7.1437   2.4911   15.214   6.6414   29.067   5.6649 -13.85258 8.729211 
1 1 1   12    5   24 o   12.593   5.4496  -0.0804   1.9795  -2.6561   2.9486   2.0327   2.6708   12.571   5.8997   17.796   6.8247 -5.224938 9.021245 
1 1 1   12    5   25 o   36.649   3.3298   10.857   1.8942   10.506   2.7445   11.177   2.6176   35.372   5.0907   36.695   4.6497 -1.323315 6.894544 
1 1 1   12    5   26 o   10.580   4.7962  -0.7894   1.7197   1.1668   2.4962  -2.5566   2.3725   15.691   6.4073   10.833   5.1459 4.857848 8.217905 
1 1 1   12    5   27 o   10.476   4.7607  -0.7475   1.7074  -2.2185   2.4893   0.5594   2.3464   11.316   5.3444   14.146   6.0235 -2.829827 8.052671 
1 1 1   12    5   28 o   8.7772   4.2359  -2.3508   1.7531  -3.9455   2.5513  -0.9241   2.4131   10.031   4.9017   12.177   5.5816 -2.146126 7.428390 
1 1 1   12    5   29 o   15.061   5.5700   1.9000   1.7435   1.9151   2.5208   1.8862   2.4141   15.999   6.4736   15.821   6.3587 0.1773548 9.074168 
1 1 1   12    5   30 o   14.845   5.6267   1.8575   1.8020   0.8419   2.5961   2.8016   2.5032   14.274   6.2085   17.259   6.6100 -2.985159 9.068522 
1 1 1   12    5   31 o   14.231   5.3011   1.8794   1.5845   1.5591   2.3724   2.1374   2.1290   14.336   6.0790   15.100   6.0040 -0.7631578 8.544114 
1 1 1   12    6    0 o  327.405   2.3824  841.317   12.239  841.317   12.239  841.317   12.239  327.405   2.3824  327.405   2.3824 0.000000 0.000000 
1 1 1   12    6    1 o  273.567   1.7449  587.290   7.4909  587.080   10.195  587.537   11.043  273.505   2.3753  273.607   2.5718 -0.1017761 3.500939 
1 1 1   12    6    2 o  478.494   2.2327  1796.85   16.766  1785.08   23.534  1808.97   23.890  476.881   3.1447  480.060   3.1711 -3.179077 4.466013 
1 1 1   12    6    3 o  547.512   2.6510  2352.80   22.778  2356.93   32.235  2348.68   32.190  547.917   3.7489  546.957   3.7503 0.9597168 5.302762 
1 1 1   12    6    4 o  132.270   1.8563  137.299   3.8532  128.596   5.0770  149.121   5.9174  128.002   2.5275  137.836   2.7357 -9.833862 3.724496 
1 1 1   12    6    5 o  257.707   1.7829  521.184   7.2102  529.908   11.295  515.184   9.3671  259.829   2.7701  256.207   2.3297 3.622650 3.619532 
1 1 1   12    6    6 o  419.217   2.2121  1379.28   14.553  1355.29   22.192  1397.37   19.276  415.494   3.4036  421.924   2.9113 -6.430847 4.478814 
1 1 1   12    6    7 o  160.642   1.7063  202.515   4.3015  195.725   6.0397  209.505   6.1279  157.914   2.4372  163.379   2.3900 -5.465393 3.413518 
1 1 1   12    6    8 o  246.496   1.6257  476.832   6.2888  474.575   8.8435  479.142   8.9447  245.892   2.2918  247.072   2.3069 -1.179749 3.251793 
1 1 1   12    6    9 o  293.317   1.7157  675.222   7.8975  678.013   11.167  672.428   11.170  293.890   2.4213  292.677   2.4320 1.213501 3.431860 
1 1 1   12    6   10 o  178.798   1.5678  250.902   4.3991  253.752   6.2191  248.049   6.2235  179.789   2.2042  177.757   2.2310 2.032791 3.136252 
1 1 1   12    6   11 o  141.657   1.5716  157.504   3.4938  155.376   4.8910  159.720   4.9925  140.674   2.2155  142.627   2.2305 -1.952316 3.143861 
1 1 1   12    6   12 o  161.846   1.5530  205.620   3.9443  204.064   5.5215  207.241   5.6365  161.198   2.1827  162.446   2.2110 -1.247986 3.106880 
1 1 1   12    6   13 o   38.540   3.2225   11.762   1.9311   15.093   2.7318   8.4356   2.7303   43.594   4.0390   32.221   5.6029 11.37315 6.906971 
1 1 1   12    6   14 o  215.607   1.5722  364.997   5.3197  362.489   7.4408  367.618   7.6085  214.797   2.2074  216.307   2.2414 -1.509933 3.145871 
1 1 1   12    6   15 o   43.039   2.8707   14.637   1.9278   14.586   2.7424   14.687   2.7106   42.803   4.1341   42.962   4.0689 -0.1588211 5.800585 
1 1 1   12    6   16 o  143.228   1.5206  161.107   3.4178  157.322   4.6357  165.615   5.0589  141.480   2.0879  145.145   2.2210 -3.664871 3.048305 
1 1 1   12    6   17 o  261.060   1.5536  535.350   6.3647  534.069   8.9566  536.657   9.0462  260.604   2.1901  261.231   2.2067 -0.6264038 3.108968 
1 1 1   12    6   18 o   66.961   2.0353   35.293   2.1363   33.987   2.9990   36.638   3.0437   65.599   2.9206   68.124   2.8534 -2.524727 4.083100 
1 1 1   12    6   19 o   24.621   4.7917   4.9856   1.7848   6.2356   2.5274   3.7424   2.5206   27.359   6.0478   21.561   6.7235 5.798019 9.043314 
1 1 1   12    6   20 o   79.167   2.0041   49.369   2.4879   50.089   3.5178   48.647   3.5190   79.593   2.8208   78.428   2.8640 1.164894 4.019893 
1 1 1   12    6   21 o   16.940   5.8972   2.1208   1.9216   1.2959   2.7383   2.9212   2.6974   16.944   6.7852   19.821   6.9805 -2.876801 9.734775 
1 1 1   12    6   22 o   27.039   4.9144   6.0773   2.0085   4.9665   2.8764   7.1343   2.8058   24.131   7.1131   28.916   6.3568 -4.785032 9.539693 
1 1 1   12    6   23 o   9.3631   4.5440  -3.4009   2.0900  -3.8342   3.0688  -3.0260   2.8544   12.028   5.7520   12.043   5.6984 -0.1573372E-01 8.096746 
1 1 1   12    6   24 o   17.086   6.2308   2.1122   2.1695   2.3416   3.2895   1.9356   2.8861   19.272   7.5239   17.964   7.0375 1.307188 10.30223 
1 1 1   12    6   25 o   26.254   5.0186   5.8604   1.9924   5.0187   2.8729   6.6403   2.7654   23.746   7.1357   27.381   6.5282 -3.635733 9.671361 
1 1 1   12    6   26 o   9.6444   4.5717  -1.9862   1.8531  -0.6151   2.7258  -3.1646   2.5269   13.743   6.1502   10.775   5.1708 2.967338 8.035053 
1 1 1   12    6   27 o   8.8980   4.2998  -2.5667   1.8211  -4.2811   2.6620  -1.0588   2.4966   10.233   5.0020   12.418   5.6867 -2.185252 7.573558 
1 1 1   12    6   28 o   10.931   4.9218  -0.4513   1.7755   1.3018   2.6079  -1.9661   2.4241   15.388   6.4403   11.142   5.2658 4.246470 8.319016 
1 1 1   12    6   29 o   19.590   5.5527   3.6556   1.7849   4.3176   2.6289   3.0895   2.4311   20.534   6.9043   18.023   6.5921 2.511526 9.545975 
1 1 1   12    6   30 o   12.035   5.3099   0.1727   1.9601  -0.9879   2.9745   1.0636   2.6060   12.916   6.0167   14.506   6.2652 -1.590713 8.686352 
1 1 1   12    6   31 o   14.402   5.5373   1.9591   1.7613   1.4271   2.5807   2.4229   2.4098   14.223   6.1882   15.584   6.3209 -1.360833 8.845721 
1 1 1   12    7    0 o  163.264   2.0925  209.272   5.3593  209.272   5.3593  209.272   5.3593  163.264   2.0925  163.264   2.0925 0.000000 0.000000 
1 1 1   12    7    1 o  274.439   1.5721  591.033   6.7705  587.013   9.5422  595.109   9.6080  273.489   2.2233  275.369   2.2234 -1.879669 3.144284 
1 1 1   12    7    2 o  615.458   2.5127  2972.97   24.268  3000.49   34.636  2946.43   34.014  618.214   3.5701  612.622   3.5380 5.591736 5.026227 
1 1 1   12    7    3 o  184.409   1.4946  266.859   4.3254  267.017   6.1036  266.699   6.1305  184.454   2.1086  184.344   2.1191 0.1100464 2.989462 
1 1 1   12    7    4 o  364.967   1.9027  1045.33   10.898  1041.87   15.334  1048.86   15.491  364.333   2.6819  365.553   2.7004 -1.219147 3.805883 
1 1 1   12    7    5 o  153.852   1.6395  185.753   3.9584  175.854   5.4901  196.470   5.7126  149.687   2.3372  158.219   2.3007 -8.531754 3.279583 
1 1 1   12    7    6 o  135.491   1.6900  144.065   3.5934  142.912   5.0430  145.255   5.1217  134.938   2.3815  136.039   2.3991 -1.101044 3.380390 
1 1 1   12    7    7 o  230.077   1.9157  415.448   6.9168  410.681   9.7192  420.340   9.8457  228.728   2.7077  231.402   2.7113 -2.673935 3.831811 
1 1 1   12    7    8 o  195.644   1.6008  300.394   4.9150  301.766   6.9268  299.002   6.9751  196.073   2.2512  195.172   2.2773 0.9007111 3.202183 
1 1 1   12    7    9 o  139.136   1.6376  151.937   3.5756  148.677   4.6921  156.452   5.5221  137.623   2.1726  141.166   2.4927 -3.542816 3.306582 
1 1 1   12    7   10 o  148.774   1.6694  173.730   3.8975  180.064   6.3396  169.881   4.9417  151.424   2.6679  147.102   2.1407 4.322067 3.420519 
1 1 1   12    7   11 f  282.772   1.5854  627.656   7.0354  632.034   9.9712  623.314   9.9280  283.701   2.2396  281.737   2.2455 1.964447 3.171466 
1 1 1   12    7   12 o  127.275   1.5330  127.166   3.0618  130.348   4.3393  124.011   4.3209  128.828   2.1464  125.655   2.1912 3.172852 3.067296 
1 1 1   12    7   13 o   81.648   1.8819   52.353   2.4113   49.293   3.5096   55.090   3.3186   79.133   2.8307   83.687   2.5298 -4.554726 3.796433 
1 1 1   12    7   14 o   37.952   3.0996   11.408   1.8300   12.514   2.5975   10.318   2.5785   39.609   4.2450   35.849   4.6961 3.759979 6.330345 
1 1 1   12    7   15 o  115.829   1.6167  105.367   2.9387  107.663   4.2873  103.332   4.0360  117.027   2.3345  114.657   2.2431 2.370049 3.237471 
1 1 1   12    7   16 o   84.822   1.8752   56.536   2.4962   57.970   3.5465   55.128   3.5139   85.789   2.6374   83.653   2.6802 2.136597 3.760226 
1 1 1   12    7   17 o  111.429   1.7012   97.565   2.9748   93.868   4.1458  101.489   4.2711  109.219   2.4188  113.568   2.3965 -4.349655 3.404982 
1 1 1   12    7   18 o   81.812   1.9533   52.634   2.5078   56.448   3.5821   48.968   3.5121   84.597   2.7017   78.764   2.8461 5.833366 3.924185 
1 1 1   12    7   19 o   81.442   1.9421   52.182   2.4821   56.982   3.5379   47.529   3.4832   84.968   2.6566   77.555   2.8669 7.413353 3.908503 
1 1 1   12    7   20 o   44.137   3.0662   15.484   2.1106   15.817   3.0199   15.166   2.9509   44.316   4.4004   43.388   4.3944 0.9289131 6.218863 
1 1 1   12    7   21 o   53.038   2.8659   22.334   2.3765   26.322   3.4442   18.711   3.2832   57.332   3.8505   48.137   4.3947 9.194397 5.842897 
1 1 1   12    7   22 o   45.840   3.6643   16.885   2.6140   16.284   3.7490   17.453   3.6467   44.370   5.5020   46.106   5.1267 -1.735409 7.520307 
1 1 1   12    7   23 o   16.412   6.8044   0.9045   2.8716  -0.4961   3.9917   2.4067   4.1340   17.139   7.5689   20.754   8.3280 -3.615044 11.25360 
1 1 1   12    7   24 o   25.980   5.7133   5.8124   2.2659   7.9902   3.1643   3.5206   3.2460   30.091   6.8546   21.131   7.6336 8.960640 10.25948 
1 1 1   12    7   25 o   14.327   5.7222   1.0497   1.9423   0.0317   2.7068   2.1301   2.7887   14.596   6.3442   17.921   6.9469 -3.324604 9.407873 
1 1 1   12    7   26 o   9.3306   4.4539  -2.1719   1.8217  -1.0279   2.6348  -3.2196   2.5216   12.994   5.9085   10.684   5.1367 2.309819 7.829215 
1 1 1   12    7   27 o   19.944   5.5676   3.6209   1.8088   4.3509   2.6163   2.9526   2.5034   21.390   6.8727   18.426   6.6971 2.964090 9.596082 
1 1 1   12    7   28 o   15.533   5.5982   2.0560   1.7445   2.3746   2.5422   1.7724   2.3984   16.961   6.6165   15.742   6.3341 1.218961 9.159630 
1 1 1   12    7   29 o   19.258   5.4984   3.5379   1.7438   2.0812   2.5498   4.8179   2.3902   16.192   6.5254   21.795   6.4992 -5.602695 9.209822 
1 1 1   12    7   30 o   7.8713   3.8525  -2.5617   1.5944  -7.2287   2.2930   1.8067   2.2184   7.5101   3.8080   15.015   6.0739 -7.504664 7.168876 
1 1 1   12    7   31 o   10.256   4.7089  -0.3803   1.7272   0.4200   2.5003  -1.1109   2.3888   12.749   5.7808   11.014   5.2120 1.734481 7.783501 
1 1 1   12    8    0 o  151.142   2.2051  179.378   5.2277  179.378   5.2277  179.378   5.2277  151.142   2.2051  151.142   2.2051 0.000000 0.000000 
1 1 1   12    8    1 o  135.585   1.5881  144.260   3.3791  140.445   4.7466  148.180   4.8116  133.772   2.2610  137.406   2.2314 -3.634491 3.176687 
1 1 1   12    8    2 o  143.239   1.6178  161.009   3.6365  155.827   4.9386  167.146   5.3746  140.907   2.2334  145.933   2.3468 -5.026184 3.239699 
1 1 1   12    8    3 o  141.577   1.5689  157.294   3.4858  152.889   4.9141  161.756   4.9454  139.572   2.2436  143.563   2.1951 -3.990967 3.138783 
1 1 1   12    8    4 o  218.085   1.5323  373.232   5.2442  372.721   7.4116  373.745   7.4211  217.924   2.1672  218.223   2.1670 -0.2993622 3.064762 
1 1 1   12    8    5 f  266.651   1.7053  557.997   7.1360  556.716   9.4382  559.706   10.903  266.329   2.2582  267.032   2.6019 -0.7021484 3.445155 
1 1 1   12    8    6 o  271.177   1.6404  577.104   6.9808  572.591   10.184  581.105   9.5878  270.089   2.4027  272.095   2.2454 -2.006775 3.288549 
1 1 1   12    8    7 o  120.680   1.8144  114.300   3.4362  114.497   5.4591  114.171   4.4222  120.762   2.8806  120.602   2.3365 0.1596298 3.709113 
1 1 1   12    8    8 o  171.656   1.7200  231.265   4.6332  245.050   6.6622  218.353   6.4478  176.676   2.4029  166.773   2.4637 9.903503 3.441446 
1 1 1   12    8    9 o  153.426   1.6759  184.762   4.0352  182.261   5.8238  187.071   5.5963  152.357   2.4358  154.360   2.3102 -2.002640 3.357094 
1 1 1   12    8   10 o   76.566   2.7451   46.108   3.2930   42.623   5.3063   48.291   4.1995   73.444   4.6275   78.309   3.4255 -4.865448 5.757434 
1 1 1   12    8   11 o   44.934   3.1809   15.952   2.2285   16.573   3.2232   15.384   3.0846   45.642   4.5610   43.961   4.5362 1.681046 6.432729 
1 1 1   12    8   12 o   76.187   2.0106   45.618   2.4018   44.768   3.4798   46.392   3.3192   75.402   2.9464   76.776   2.7594 -1.373436 4.036786 
1 1 1   12    8   13 f  279.829   1.5950  614.840   7.0044  615.882   9.9112  613.800   9.9003  279.970   2.2558  279.496   2.2572 0.4738464 3.191191 
1 1 1   12    8   14 o  116.633   1.6023  106.826   2.9327  104.537   4.1219  109.173   4.1734  115.328   2.2775  117.859   2.2564 -2.531181 3.205982 
1 1 1   12    8   15 o   74.064   1.9412   43.133   2.2542   43.780   3.2220   42.513   3.1550   74.538   2.7593   73.451   2.7419 1.086700 3.889943 
1 1 1   12    8   16 o   54.037   2.4408   23.020   2.0645   21.033   2.9550   24.915   2.8855   51.487   3.6815   56.117   3.2910 -4.630440 4.938094 
1 1 1   12    8   17 o  147.388   1.6871  170.709   3.9023  172.629   5.7642  169.085   5.3020  148.085   2.4804  146.589   2.3048 1.495224 3.385909 
1 1 1   12    8   18 o   97.783   1.8496   75.184   2.8383   78.748   4.0351   71.693   3.9930   99.942   2.5749   95.339   2.6715 4.602570 3.710392 
1 1 1   12    8   19 o   31.685   4.1891   8.1159   2.0319   12.792   2.9235   3.7461   2.8262   39.758   4.7816   21.775   7.1540 17.98264 8.604816 
1 1 1   12    8   20 o   79.222   2.0910   49.486   2.5973   53.213   3.7494   46.048   3.6015   81.966   2.9195   76.216   3.0171 5.749863 4.198378 
1 1 1   12    8   21 o   57.037   2.4506   25.756   2.1884   26.893   3.1355   24.676   3.0557   58.032   3.4587   55.562   3.5226 2.469650 4.936728 
1 1 1   12    8   22 o   15.868   5.8105   1.7346   1.8896   1.0378   2.6602   2.4442   2.6845   16.205   6.6156   18.690   6.9116 -2.484396 9.567472 
1 1 1   12    8   23 o   11.833   5.2247  -0.4255   1.9014  -1.5822   2.7628   0.6153   2.6207   13.055   5.9798   15.384   6.4486 -2.329443 8.794439 
1 1 1   12    8   24 o   19.588   6.5594   3.1752   2.3730   3.4980   3.4133   2.8731   3.3013   21.193   7.8012   20.028   7.6102 1.164972 10.89835 
1 1 1   12    8   25 o   34.668   4.2088   9.9595   2.2429   14.054   3.3815   6.7436   2.9970   40.601   5.4444   27.244   6.9793 13.35682 8.851686 
1 1 1   12    8   26 o   20.220   5.9278   3.6736   2.0023   4.9094   2.9153   2.5702   2.7549   22.881   7.2442   18.235   6.9464 4.646452 10.03650 
1 1 1   12    8   27 f   12.653   5.4164   0.3847   1.9151  -0.2844   2.7309   1.0322   2.6864   13.694   6.1401   15.277   6.4729 -1.582925 8.921884 
1 1 1   12    8   28 o   19.155   5.8679   3.5052   1.9299   2.1870   2.8062   4.6883   2.6585   16.808   6.8196   21.458   6.9309 -4.650408 9.723413 
1 1 1   12    8   29 o   15.857   5.5972   2.2862   1.7350   2.1981   2.5244   2.3650   2.3885   16.287   6.5172   16.464   6.4160 -0.1770458 9.145431 
1 1 1   12    8   30 o   10.603   4.7728  -0.1875   1.6680   1.3947   2.4289  -1.5994   2.2946   14.403   6.1306   10.678   5.0690 3.724735 7.954847 
1 1 1   12    8   31 o   8.5884   4.1120  -1.4266   1.5781  -3.2768   2.2843   0.2626   2.1827   9.0972   4.4840   11.928   5.4056 -2.830638 7.023299 
1 1 1   12    9    0 o  186.090   2.2140  271.868   6.4636  271.868   6.4636  271.868   6.4636  186.090   2.2140  186.090   2.2140 0.000000 0.000000 
1 1 1   12    9    1 o  136.448   1.6416  146.107   3.5152  147.742   4.9753  144.476   4.9672  137.201   2.3108  135.676   2.3330 1.525314 3.283640 
1 1 1   12    9    2 o  223.392   1.5579  391.620   5.4613  389.435   7.6906  393.844   7.7568  222.754   2.2000  224.011   2.2065 -1.257111 3.115912 
1 1 1   12    9    3 o  172.392   1.5622  233.223   4.2264  236.862   6.0265  229.700   5.9287  173.721   2.2106  171.074   2.2084 2.646698 3.124654 
1 1 1   12    9    4 o  148.730   1.6351  173.599   3.8163  167.247   5.2036  180.991   5.6139  145.973   2.2716  151.851   2.3558 -5.877838 3.272584 
1 1 1   12    9    5 o  110.854   1.7433   96.442   3.0326   92.400   4.2773  100.527   4.3004  108.494   2.5122  113.166   2.4215 -4.672043 3.489240 
1 1 1   12    9    6 o   81.970   1.9955   52.738   2.5670   53.201   3.6816   52.301   3.5809   82.266   2.8561   81.569   2.8016 0.6970139 4.000771 
1 1 1   12    9    7 o   51.374   2.9420   20.793   2.3620   24.640   3.5963   17.875   3.1322   55.843   4.1331   47.501   4.2466 8.341087 5.925894 
1 1 1   12    9    8 o  184.983   1.5129  268.568   4.3919  266.360   6.2129  270.774   6.2093  184.197   2.1493  185.718   2.1305 -1.520706 3.026341 
1 1 1   12    9    9 o  138.498   1.5646  150.562   3.4006  153.017   4.8381  148.165   4.7808  139.598   2.2084  137.367   2.2177 2.231735 3.129790 
1 1 1   12    9   10 o   49.149   3.1694   19.068   2.4315   20.625   3.4818   17.586   3.3971   50.992   4.3939   47.019   4.6654 3.972191 6.408767 
1 1 1   12    9   11 o  126.467   1.5901  125.567   3.1558  124.039   4.4854  127.066   4.4411  125.658   2.2746  127.185   2.2251 -1.527191 3.181918 
1 1 1   12    9   12 o   58.820   2.5305   27.242   2.3304   26.949   3.2427   27.556   3.3513   58.402   3.5549   59.049   3.6342 -0.6469727 5.083734 
1 1 1   12    9   13 o  149.391   1.6712  175.263   3.9180  173.955   5.5087  176.602   5.5736  148.770   2.3596  149.896   2.3694 -1.126404 3.343873 
1 1 1   12    9   14 o   26.859   5.4664   5.9242   2.2256   7.0546   3.0789   4.6870   3.2210   29.169   6.8446   24.276   7.6049 4.892656 10.23150 
1 1 1   12    9   15 o   15.179   6.0861   0.8973   2.2060   3.4827   3.0677  -1.8713   3.1745   21.711   7.4561   14.264   6.4860 7.447187 9.882373 
1 1 1   12    9   16 o   91.513   2.0202   65.845   2.9012   67.908   3.9996   63.553   4.2146   92.815   2.7490   89.747   2.9967 3.067863 4.066544 
1 1 1   12    9   17 o   93.903   1.8087   69.319   2.6654   68.537   3.7819   70.092   3.7570   93.244   2.5870   94.304   2.5410 -1.060364 3.626180 
1 1 1   12    9   18 o   35.710   3.5873   10.193   1.9831   4.0290   2.8136   16.278   2.7954   22.401   7.1197   45.130   3.9881 -22.72937 8.160564 
1 1 1   12    9   19 o   73.417   2.0486   42.478   2.3579   44.615   3.3683   40.425   3.3019   75.088   2.8637   71.451   2.9511 3.636986 4.112177 
1 1 1   12    9   20 o   74.934   2.2234   44.329   2.6117   46.661   3.4606   41.244   3.9810   76.724   2.8793   71.939   3.5371 4.784828 4.560869 
1 1 1   12    9   21 o   18.624   5.9035   2.8241   1.9356   1.2458   2.7610   4.3493   2.7143   16.806   6.7842   22.713   6.9590 -5.906155 9.718686 
1 1 1   12    9   22 o   36.943   3.5594   11.013   2.0381   9.9623   2.8753   12.074   2.8894   34.469   5.5002   38.238   4.9297 -3.768559 7.386057 
1 1 1   12    9   23 o   10.569   4.8907  -1.4230   1.9156   0.6715   2.7557  -3.3814   2.6646   15.736   6.6053   11.155   5.3414 4.580938 8.494689 
1 1 1   12    9   24 o   31.999   4.3779   8.4967   2.1409   5.5010   2.9229   11.964   3.1444   24.775   7.1330   37.534   5.5017 -12.75924 9.008206 
1 1 1   12    9   25 o   18.388   6.1907   2.8460   2.1135   5.2685   3.0998   0.7414   2.8893   23.937   7.4546   15.826   6.7094 8.111872 10.02932 
1 1 1   12    9   26 o   34.809   4.1271   10.205   2.2107   6.6034   3.1446   13.723   3.1084   26.055   7.3652   39.762   5.0988 -13.70688 8.957891 
1 1 1   12    9   27 o   18.495   5.8471   3.1727   1.8999   3.2930   2.7313   3.0599   2.6446   18.916   6.9758   18.434   6.8520 0.4821072 9.778173 
1 1 1   12    9   28 o   17.639   5.8040   2.9398   1.8599   1.7223   2.6970   4.0439   2.5683   15.869   6.5881   20.002   6.8236 -4.132712 9.484999 
1 1 1   12    9   29 o   17.442   5.6843   2.9379   1.7859   1.7570   2.5701   4.0405   2.4834   15.510   6.4345   19.705   6.7101 -4.194851 9.296663 
1 1 1   12    9   30 o   11.925   5.1894   0.5423   1.8156   1.9139   2.6462  -0.6776   2.4957   15.111   6.4143   11.826   5.5097 3.285377 8.455803 
1 1 1   12    9   31 o   11.832   5.1352   0.7657   1.7680   0.3044   2.5884   1.1691   2.4205   12.507   5.7506   13.288   5.8798 -0.7805347 8.224419 
1 1 1   12   10    0 o  138.381   2.3899  150.416   5.1864  150.416   5.1864  150.416   5.1864  138.381   2.3899  138.381   2.3899 0.000000 0.000000 
1 1 1   12   10    1 o  212.168   1.5776  353.270   5.2528  353.952   7.4282  352.587   7.4291  212.356   2.2290  211.946   2.2336 0.4100952 3.155526 
1 1 1   12   10    2 o   47.520   3.2154   17.812   2.3837   20.887   3.3812   14.773   3.3610   51.390   4.2300   43.058   5.0712 8.332237 6.603731 
1 1 1   12   10    3 o  333.712   1.7400  874.000   9.1124  886.743   13.009  861.725   12.768  336.100   2.4664  331.325   2.4557 4.774567 3.480430 
1 1 1   12   10    4 o   92.126   1.9418   66.614   2.8074   63.296   3.9740   69.920   3.9665   89.743   2.8253   94.334   2.6821 -4.590950 3.895582 
1 1 1   12   10    5 o   94.642   1.8855   70.304   2.8004   69.603   3.9331   71.025   3.9881   94.117   2.6657   95.074   2.6757 -0.9568558 3.776889 
1 1 1   12   10    6 o  233.801   1.5613  429.019   5.7286  422.816   8.0635  435.340   8.1399  232.076   2.2140  235.488   2.2026 -3.412491 3.123070 
1 1 1   12   10    7 o   75.090   2.1111   44.302   2.4853   43.935   3.5644   44.649   3.4670   74.725   3.0460   75.337   2.9381 -0.6123428 4.232106 
1 1 1   12   10    8 o   72.340   2.1470   41.126   2.4346   41.633   3.4564   40.627   3.4299   72.728   3.0351   71.842   3.0492 0.8862686 4.302282 
1 1 1   12   10    9 o   78.992   1.9957   49.028   2.4719   46.454   3.4765   51.659   3.5154   76.830   2.8886   81.035   2.7684 -4.204964 4.000978 
1 1 1   12   10   10 o  198.540   1.6951  309.494   5.2814  312.487   7.2832  306.174   7.6698  199.442   2.3270  197.402   2.4759 2.040268 3.397767 
1 1 1   12   10   11 o  189.747   1.6281  282.696   4.8479  281.062   6.8434  284.341   6.8686  189.133   2.3057  190.234   2.3008 -1.100616 3.257242 
1 1 1   12   10   12 o  187.033   1.6270  274.697   4.7753  272.412   6.7332  277.009   6.7736  186.181   2.3045  187.746   2.2990 -1.565323 3.255197 
1 1 1   12   10   13 o  141.299   1.6806  156.813   3.7265  161.093   5.3143  152.673   5.2270  143.146   2.3657  139.352   2.3902 3.794006 3.362967 
1 1 1   12   10   14 o   67.125   2.2001   35.462   2.3145   33.839   3.2793   37.072   3.2670   65.457   3.2021   68.540   3.0450 -3.083145 4.418744 
1 1 1   12   10   15 o   87.996   1.8855   60.860   2.6038   59.659   3.6910   62.051   3.6737   87.004   2.7066   88.742   2.6409 -1.737869 3.781563 
1 1 1   12   10   16 o  190.925   1.6552  286.452   4.9592  295.112   7.0879  278.147   6.9411  193.646   2.3324  187.993   2.3528 5.653183 3.312937 
1 1 1   12   10   17 o   76.347   2.2111   45.916   2.6463   49.254   3.7557   42.625   3.7294   78.940   3.0374   73.389   3.2463 5.551323 4.445640 
1 1 1   12   10   18 o   28.906   4.9646   6.8598   2.1710   6.3152   3.0162   7.4451   3.1272   27.340   7.0005   29.704   6.8488 -2.363914 9.793511 
1 1 1   12   10   19 o   68.437   2.2785   36.974   2.4437   38.317   3.6368   35.868   3.2995   69.429   3.3478   67.223   3.1364 2.206657 4.587433 
1 1 1   12   10   20 o   62.200   2.8647   30.715   2.7887   31.192   4.0338   30.278   3.8597   62.287   4.1504   61.406   4.0275 0.8805275 5.783316 
1 1 1   12   10   21 o   16.020   5.9737   1.6933   2.0132  -2.5401   2.8167   6.1141   2.8784   12.365   5.7911   26.549   6.8599 -14.18405 8.977517 
1 1 1   12   10   22 o   11.558   5.1958  -0.7896   1.9699   0.0160   2.8144  -1.5634   2.7582   15.032   6.5015   13.065   5.9807 1.966895 8.833899 
1 1 1   12   10   23 o   15.314   5.8917   1.4438   1.9948   4.5183   2.8505  -1.5069   2.7925   22.775   7.1570   13.146   6.0180 9.628554 9.350838 
1 1 1   12   10   24 o   31.692   4.5453   8.4053   2.1960   7.5833   2.9423   9.4389   3.2994   29.143   6.5887   32.547   6.6837 -3.403664 9.385200 
1 1 1   12   10   25 o   39.159   3.4481   12.541   2.0973   12.769   2.9535   12.310   2.9789   38.696   4.9788   37.888   5.1427 0.8088722 7.157951 
1 1 1   12   10   26 o   13.380   5.5574   0.7731   1.9203  -2.0049   2.7547   3.3996   2.6785   12.105   5.6877   19.386   6.9429 -7.281212 8.975182 
1 1 1   12   10   27 o   13.147   5.7126   0.3758   2.1931   0.1518   3.2864   0.5556   2.9448   15.002   6.7303   14.863   6.5347 0.1388044 9.380840 
1 1 1   12   10   28 o   8.5783   4.2264  -3.6210   2.0220  -2.7954   3.0989  -4.2331   2.6683   11.908   5.7172   9.9834   4.9061 1.924091 7.533693 
1 1 1   12   10   29 o   11.239   5.0629  -0.2189   1.8809   0.4047   2.7230  -0.7879   2.6011   13.774   6.1568   12.273   5.6861 1.500738 8.380827 
1 1 1   12   10   30 o   12.791   5.3885   1.1356   1.8443  -0.1066   2.6447   2.3114   2.5731   12.457   5.7582   15.349   6.4085 -2.891129 8.615460 
1 1 1   12   11    0 o   24.647   9.1439   6.4072   3.2832   6.4072   3.2832   6.4072   3.2832   24.647   9.1439   24.647   9.1439 0.000000 0.000000 
1 1 1   12   11    1 o  371.331   1.8373  1082.24   10.706  1070.28   15.015  1094.60   15.271  369.222   2.5913  373.392   2.6061 -4.169708 3.675104 
1 1 1   12   11    2 o  330.200   1.7410  855.751   9.0216  862.441   12.836  849.220   12.682  331.444   2.4678  328.894   2.4571 2.549561 3.482496 
1 1 1   12   11    3 o  195.835   1.5740  300.995   4.8372  301.011   6.8279  300.978   6.8539  195.818   2.2219  195.807   2.2305 0.1115417E-01 3.148335 
1 1 1   12   11    4 o  135.166   1.6487  143.395   3.4971  149.295   4.9985  137.738   4.8944  137.900   2.3098  132.454   2.3546 5.446136 3.298388 
1 1 1   12   11    5 o  208.421   1.5660  340.944   5.1221  341.364   7.2480  340.525   7.2394  208.519   2.2149  208.262   2.2151 0.2563019 3.132497 
1 1 1   12   11    6 o  225.703   1.6726  399.868   5.9245  402.501   8.3947  397.256   8.3623  226.402   2.3628  224.921   2.3691 1.480286 3.345948 
1 1 1   12   11    7 f   69.687   2.4053   38.186   2.6265   38.255   3.7081   38.116   3.7209   69.676   3.4015   69.547   3.4197 0.1285858 4.823368 
1 1 1   12   11    8 o  156.085   1.7995  191.284   4.4077  199.543   6.8172  185.351   5.7779  159.353   2.7261  153.608   2.3969 5.745605 3.629956 
1 1 1   12   11    9 o  179.535   1.6579  253.072   4.6709  251.690   6.5685  254.486   6.6436  178.988   2.3385  179.979   2.3522 -0.9901428 3.316826 
1 1 1   12   11   10 o   74.170   2.2419   43.261   2.6065   45.064   3.4946   41.000   3.9129   75.642   2.9496   72.092   3.4688 3.550575 4.553353 
1 1 1   12   11   11 o  185.225   1.5433  269.390   4.4861  262.763   6.3069  276.177   6.3824  182.867   2.1977  187.480   2.1693 -4.613159 3.088023 
1 1 1   12   11   12 o   25.525   5.2105   5.3440   2.0164   3.5788   2.8967   7.0034   2.8087   21.738   7.2466   29.130   6.3257 -7.392019 9.619158 
1 1 1   12   11   13 o   75.354   2.0698   44.663   2.4452   44.475   3.4718   44.848   3.4446   75.100   2.9516   75.420   2.9158 -0.3197250 4.148951 
1 1 1   12   11   14 o   54.372   2.6843   23.330   2.2833   22.484   3.1479   24.269   3.3169   53.221   3.7939   55.296   3.8464 -2.074589 5.402571 
1 1 1   12   11   15 o   89.229   2.0066   62.606   2.8098   64.945   3.9460   60.200   4.0018   90.751   2.7740   87.345   2.9236 3.406029 4.030226 
1 1 1   12   11   16 o  128.581   1.7438  129.967   3.5186  129.464   4.9235  130.491   5.0304  128.217   2.4469  128.716   2.4904 -0.4990082 3.491310 
1 1 1   12   11   17 o   15.773   6.0661   1.3745   2.1142   2.7101   2.9688   0.0003   3.0115   19.959   7.2872   15.834   6.7854 4.125080 9.957170 
1 1 1   12   11   18 o   23.837   5.7655   4.7675   2.1329   3.6235   2.9875   5.9569   3.0462   21.626   7.3598   26.499   7.1579 -4.872992 10.26657 
1 1 1   12   11   19 o   91.233   2.1247   65.632   3.0419   68.615   4.1728   62.249   4.4438   93.054   2.8609   88.517   3.2043 4.537041 4.295611 
1 1 1   12   11   20 o   21.553   6.8167   3.8597   2.5820   5.2364   3.9002   2.7856   3.4450   25.053   8.4096   20.476   7.7755 4.577471 11.45338 
1 1 1   12   11   21 o   36.227   4.5806   10.784   2.5460   9.8986   3.5226   11.753   3.6841   33.783   6.8784   37.022   6.5823 -3.239346 9.520467 
1 1 1   12   11   22 o   34.285   4.8000   9.7688   2.5119   13.687   3.9743   7.1623   3.2415   39.818   6.5905   28.362   7.2545 11.45562 9.801143 
1 1 1   12   11   23 o   21.063   6.4999   3.8440   2.3627   2.7875   3.3270   4.9190   3.3560   19.848   7.6158   23.620   7.7974 -3.771353 10.89954 
1 1 1   12   11   24 o   31.162   5.4536   8.3894   2.5698   8.7222   3.4919   7.9961   3.7956   30.738   7.3404   29.026   8.0512 1.712475 10.89512 
1 1 1   12   11   25 o   34.220   4.5575   9.9812   2.3867   9.4501   3.3483   10.530   3.4029   31.732   6.9193   33.744   6.6627 -2.011463 9.605593 
1 1 1   12   11   26 o   19.542   6.2993   3.5958   2.1968   5.3186   3.0205   1.6614   3.2007   22.952   7.3855   16.859   7.1002 6.092802 10.24493 
1 1 1   12   11   27 o   12.415   5.4751   0.0996   2.0820   1.6449   2.9834  -1.3675   2.9069   16.161   6.8332   12.696   5.9257 3.464725 9.044654 
1 1 1   12   11   28 o   10.496   4.9074  -1.2231   2.0083  -1.9992   2.8680  -0.4766   2.8130   11.930   5.6644   13.171   6.0334 -1.241678 8.275665 
1 1 1   12   11   29 o   9.2226   4.5052  -2.9465   2.1494  -3.5342   3.0331  -2.3536   3.0463   10.932   5.3428   11.707   5.6330 -0.7743502 7.763809 
1 1 1   12   11   30 o   16.485   5.8996   3.0391   1.9336   2.5293   2.7696   3.5239   2.7008   15.422   6.5548   16.933   6.7526 -1.511236 9.410818 
1 1 1   12   12    0 o  133.873   2.7342  140.862   5.7389  140.862   5.7389  140.862   5.7389  133.873   2.7342  133.873   2.7342 0.000000 0.000000 
1 1 1   12   12    1 o  369.325   2.3092  1070.95   13.384  1089.73   19.146  1053.00   18.716  372.431   3.2758  366.103   3.2577 6.328400 4.619878 
1 1 1   12   12    2 o  291.211   2.0954  665.774   9.5760  677.095   13.652  654.810   13.435  293.597   2.9631  288.725   2.9652 4.872162 4.191945 
1 1 1   12   12    3 o  192.289   1.9698  290.274   5.9442  290.558   8.4091  289.991   8.4037  192.334   2.7860  192.146   2.7870 0.1879425 3.940689 
1 1 1   12   12    4 o  393.789   2.3894  1217.77   14.766  1204.99   20.686  1231.03   21.084  391.560   3.3664  395.762   3.3948 -4.202240 4.780917 
1 1 1   12   12    5 o  119.224   1.9869  111.605   3.7175  113.724   5.3080  109.565   5.2082  120.311   2.8114  118.091   2.8104 2.220207 3.975172 
1 1 1   12   12    6 o  118.337   2.0291  109.966   3.7682  113.203   5.1701  106.299   5.5036  120.027   2.7448  116.253   3.0193 3.773811 4.080458 
1 1 1   12   12    7 o  174.293   1.7897  238.526   4.8952  234.407   6.9361  242.613   6.9096  172.719   2.5590  175.722   2.5057 -3.002441 3.581443 
1 1 1   12   12    8 o  160.120   1.8980  201.346   4.7692  198.332   7.0743  203.856   6.4573  158.832   2.8382  161.059   2.5548 -2.226395 3.818678 
1 1 1   12   12    9 o   68.351   2.6098   36.778   2.7942   37.054   3.9972   36.513   3.9076   68.492   3.7329   67.995   3.6757 0.4962540 5.238893 
1 1 1   12   12   10 o  163.228   1.9617  209.299   5.0250  208.834   6.5516  209.964   7.8311  162.980   2.5616  163.352   3.0549 -0.3722076 3.986708 
1 1 1   12   12   11 o   44.813   3.5495   15.924   2.4758   17.794   3.5292   14.111   3.4740   47.191   4.8338   41.860   5.4152 5.331078 7.258821 
1 1 1   12   12   12 o   37.425   4.0572   11.189   2.3448   13.230   3.3574   9.2444   3.2762   40.482   5.4210   33.506   6.4651 6.975960 8.437107 
1 1 1   12   12   13 o   70.521   2.3663   39.166   2.6150   38.907   3.8316   39.391   3.5778   70.136   3.4922   70.611   3.2374 -0.4752350 4.761919 
1 1 1   12   12   14 o   69.561   2.4025   38.126   2.6187   39.713   3.9039   36.828   3.5309   70.828   3.5234   68.237   3.3072 2.590797 4.832336 
1 1 1   12   12   15 o  116.760   1.8348  107.185   3.3620  111.777   4.8818  103.041   4.6368  119.114   2.6116  114.370   2.5835 4.744247 3.673517 
1 1 1   12   12   16 o   71.752   2.3175   40.589   2.6061   39.583   3.7835   41.496   3.5950   70.660   3.4222   72.403   3.1716 -1.743156 4.665908 
1 1 1   12   12   17 o   25.151   5.7584   5.2953   2.2237   6.5312   3.2165   4.1637   3.0777   27.735   7.2940   22.812   7.4639 4.923401 10.43610 
1 1 1   12   12   18 o   63.150   2.7849   31.599   2.7531   25.407   4.0061   37.140   3.7898   56.128   4.5882   68.272   3.5494 -12.14381 5.800818 
1 1 1   12   12   19 o   65.332   2.8626   33.895   2.9278   27.755   4.4704   38.507   3.8743   58.413   4.9225   69.419   3.5684 -11.00642 6.079819 
1 1 1   12   12   20 o   52.951   3.2170   22.413   2.6606   18.991   3.8456   25.554   3.6849   48.013   5.1860   56.196   4.2090 -8.183384 6.679122 
1 1 1   12   12   21 o   18.445   6.5618   2.5896   2.3885   0.6875   3.4726   4.2974   3.2905   17.336   7.3529   22.691   7.7239 -5.354818 10.66416 
1 1 1   12   12   22 o   19.448   6.3649   3.1584   2.2380   2.6652   3.1869   3.6384   3.1437   19.539   7.4645   21.186   7.5288 -1.646568 10.60198 
1 1 1   12   12   23 o   46.077   3.6320   17.277   2.6050   18.588   3.7132   16.006   3.6556   47.007   5.1161   43.367   5.4946 3.639751 7.507673 
1 1 1   12   12   24 o   20.344   6.5634   3.6803   2.3845   4.5185   3.3070   2.7725   3.4414   22.310   7.7379   19.494   7.6703 2.816362 10.89538 
1 1 1   12   12   25 o   24.349   5.7526   5.4321   2.1630   6.7844   3.0190   4.0057   3.1005   26.357   7.1284   20.706   7.4631 5.651306 10.32047 
1 1 1   12   12   26 o   10.565   4.9339  -1.3413   2.0203  -0.8818   2.9018  -1.7735   2.8145   13.252   6.0914   12.241   5.7508 1.010561 8.377206 
1 1 1   12   12   27 o   14.182   5.7277   1.3799   1.9691   1.2674   2.8240   1.4863   2.7471   15.305   6.5649   15.498   6.5551 -0.1930084 9.277281 
1 1 1   12   12   28 o   10.594   4.8960  -0.8238   1.9105  -0.6515   2.7410  -0.9866   2.6644   12.737   5.8783   12.258   5.7051 0.4783945 8.191617 
1 1 1   12   12   29 o   13.936   5.6471   1.6648   1.9213   0.5834   2.7700   2.6674   2.6673   13.462   6.0965   16.080   6.6013 -2.617577 8.985809 
1 1 1   12   13    0 o   86.909   3.0087   59.524   4.0923   59.524   4.0923   59.524   4.0923   86.909   3.0087   86.909   3.0087 0.000000 0.000000 
1 1 1   12   13    1 o  104.832   2.1062   86.296   3.4650   84.606   5.1660   87.678   4.6716  103.703   3.1781  105.599   2.8215 -1.896332 4.249891 
1 1 1   12   13    2 o  137.628   1.8085  148.710   3.9060  151.908   5.5865  145.652   5.4633  139.060   2.5599  136.167   2.5567 2.893066 3.618023 
1 1 1   12   13    3 o  270.533   1.7824  574.613   7.5671  565.503   10.690  583.764   10.713  268.297   2.5388  272.599   2.5044 -4.301941 3.566168 
1 1 1   12   13    4 o  134.206   1.8809  141.428   3.9614  144.710   5.4741  137.818   5.7399  135.713   2.5703  132.428   2.7619 3.284592 3.772894 
1 1 1   12   13    5 o   52.412   3.4003   21.700   2.7817   19.512   3.8046   24.212   4.0773   49.489   4.9659   55.211   4.7521 -5.722122 6.873282 
1 1 1   12   13    6 o  191.028   1.5931  286.505   4.7757  286.619   6.7857  286.393   6.7225  191.007   2.2638  190.934   2.2436 0.7302856E-01 3.187234 
1 1 1   12   13    7 o  159.589   1.6213  199.978   4.0605  200.034   5.8081  199.923   5.6788  159.555   2.3196  159.516   2.2685 0.3939819E-01 3.244511 
1 1 1   12   13    8 f  130.859   2.0192  134.520   4.1466  126.778   5.6617  143.477   6.0900  126.965   2.8416  135.065   2.8732 -8.099823 4.041024 
1 1 1   12   13    9 o   25.048   5.5589   5.1634   2.1280   2.5182   3.0524   7.6649   2.9682   19.964   7.3723   30.502   6.4053 -10.53768 9.766193 
1 1 1   12   13   10 o   37.254   3.8328   11.061   2.2088   10.455   3.1776   11.627   3.0725   35.838   5.8518   37.949   5.3040 -2.111191 7.897825 
1 1 1   12   13   11 o  127.787   1.7038  128.281   3.4168  128.139   4.9091  128.414   4.7584  127.636   2.4509  127.783   2.3729 -0.1469421 3.411399 
1 1 1   12   13   12 o   37.440   3.7169   11.176   2.1550   10.686   3.1527   11.605   2.9525   36.206   5.7399   37.905   5.0922 -1.698574 7.673191 
1 1 1   12   13   13 o   27.464   5.1275   6.1864   2.1287   6.2034   3.1011   6.1711   2.9272   27.261   7.1585   27.192   6.8609 0.6860733E-01 9.915496 
1 1 1   12   13   14 o  101.970   2.0581   81.791   3.2935   81.970   4.8855   81.642   4.4590  101.883   3.0591  101.733   2.7957 0.1505814 4.144128 
1 1 1   12   13   15 o   94.601   2.0715   70.424   3.0753   75.012   4.5273   66.493   4.1903   97.443   2.9641   91.748   2.9141 5.695152 4.156621 
1 1 1   12   13   16 o  102.293   2.0185   82.377   3.2402   86.468   4.7372   78.780   4.4418  104.583   2.8891   99.835   2.8380 4.748001 4.049862 
1 1 1   12   13   17 o   63.360   2.5964   31.759   2.5761   31.126   3.5646   32.451   3.7271   62.474   3.6518   63.770   3.7408 -1.295467 5.227721 
1 1 1   12   13   18 o   89.057   2.0420   62.539   2.8538   62.202   4.0340   62.877   4.0379   88.547   2.9070   89.031   2.8939 -0.4837494 4.101857 
1 1 1   12   13   19 o   20.065   6.2474   3.3432   2.1772   4.3334   3.1167   2.3994   3.0427   22.837   7.5132   19.185   7.3023 3.652359 10.47721 
1 1 1   12   13   20 o   28.742   5.0477   6.9242   2.1937   7.4896   3.1247   6.3747   3.0805   29.241   6.9181   26.908   7.1672 2.332514 9.961390 
1 1 1   12   13   21 o   16.475   6.2123   1.8177   2.1900  -0.6192   3.0705   4.3409   3.1244   14.824   6.5876   22.555   7.5262 -7.731379 10.00196 
1 1 1   12   13   22 o   28.195   5.5744   6.8538   2.3791   9.2735   3.6494   5.0654   3.1374   31.966   7.4183   23.811   7.5120 8.154312 10.55757 
1 1 1   12   13   23 o   23.334   5.9249   4.8394   2.1732   5.5850   3.1214   4.1379   3.0275   24.571   7.4497   21.660   7.4081 2.911373 10.50609 
1 1 1   12   13   24 o   23.400   5.9344   4.9994   2.1820   2.6165   3.0745   7.4176   3.0973   18.535   7.2629   27.882   7.0697 -9.347185 10.13559 
1 1 1   12   13   25 o   15.841   6.1317   1.9146   2.1702   4.0825   2.9974  -0.4743   3.1463   20.521   7.3451   14.286   6.4806 6.235529 9.795381 
1 1 1   12   13   26 o   13.098   5.7168   0.3732   2.2174   0.6915   3.1889   0.0752   3.0854   15.262   6.7514   14.426   6.4926 0.8358498 9.366724 
1 1 1   12   13   27 o   18.046   6.2246   3.2062   2.1388  -1.0487   3.1744   6.7434   2.8943   13.320   6.2086   25.132   7.0527 -11.81149 9.396155 
1 1 1   12   13   28 o   24.322   5.5623   5.8644   2.0768   5.7504   3.0339   5.9650   2.8489   22.023   7.4172   22.778   7.1545 -0.7553310 10.30543 
1 1 1   12   13   29 o   18.098   6.0367   3.7334   2.0102   5.8352   2.9038   1.7995   2.7855   20.947   7.2517   14.538   6.3747 6.409642 9.655250 
1 1 1   12   14    0 o  116.467   2.6134  106.677   4.7711  106.677   4.7711  106.677   4.7711  116.467   2.6134  116.467   2.6134 0.000000 0.000000 
1 1 1   12   14    1 o  184.437   1.6276  267.078   4.7108  267.691   6.6763  266.470   6.6478  184.593   2.3047  184.172   2.3001 0.4208832 3.256094 
1 1 1   12   14    2 o  111.676   1.8805   97.938   3.2957   98.143   4.6407   97.731   4.6812  111.747   2.6463  111.510   2.6751 0.2367172 3.762861 
1 1 1   12   14    3 f  153.975   1.6587  186.150   4.0079  191.614   5.7409  180.955   5.5979  156.166   2.3425  151.760   2.3505 4.406067 3.318477 
1 1 1   12   14    4 f   30.299   5.0708   7.4429   2.3260   7.4425   3.2929   7.4432   3.2859   30.016   7.1023   30.018   7.0894 -0.2187729E-02 10.03505 
1 1 1   12   14    5 o   52.727   3.5194   21.983   2.8955   20.979   4.1130   22.969   4.0769   51.269   5.1832   53.715   4.8900 -2.446583 7.125832 
1 1 1   12   14    6 o  100.345   1.9433   79.093   3.0602   80.548   4.3512   77.669   4.3047  101.172   2.7431   99.344   2.7639 1.828178 3.894025 
1 1 1   12   14    7 o  122.906   1.8981  118.662   3.6610  123.454   5.3204  114.352   5.0455  125.291   2.7059  120.588   2.6662 4.703514 3.798770 
1 1 1   12   14    8 o   28.749   6.0748   6.8092   2.6548   5.7413   3.5700   8.1304   3.9707   26.591   7.9460   31.260   8.0468 -4.668907 11.30888 
1 1 1   12   14    9 o   18.872   6.8056   2.3952   2.5787   3.7163   3.8766   1.3466   3.4536   23.227   8.3484   18.850   7.5951 4.377552 11.28636 
1 1 1   12   14   10 o   85.979   2.4041   58.192   3.2406   62.761   4.8584   54.530   4.3496   89.138   3.4798   83.100   3.3422 6.037918 4.824846 
1 1 1   12   14   11 o   77.975   2.4793   47.896   3.0300   49.709   4.7134   46.619   3.9556   79.231   3.8019   76.813   3.2891 2.418068 5.027190 
1 1 1   12   14   12 o  108.058   1.9776   91.812   3.3535   88.718   4.9034   94.530   4.5965  106.046   2.9493  109.551   2.6736 -3.505333 3.980784 
1 1 1   12   14   13 o   60.189   2.6080   28.594   2.4575   27.941   3.5332   29.206   3.4205   59.297   3.8172   60.670   3.6089 -1.373184 5.253145 
1 1 1   12   14   14 o   56.333   2.7377   25.084   2.4130   27.431   3.5014   22.962   3.3299   58.717   3.8206   53.667   3.9823 5.050415 5.518672 
1 1 1   12   14   15 o   94.126   2.0637   69.756   3.0483   68.526   4.2348   71.078   4.3914   93.094   2.9022   94.800   2.9554 -1.705818 4.142174 
1 1 1   12   14   16 o   58.427   2.7127   27.032   2.4804   27.375   3.5214   26.693   3.4945   58.528   3.8554   57.786   3.8759 0.7425270 5.466888 
1 1 1   12   14   17 o   60.982   2.6614   29.473   2.5409   29.118   3.6480   29.807   3.5410   60.279   3.8770   61.043   3.7140 -0.7643318 5.368860 
1 1 1   12   14   18 o   22.309   6.2077   4.2371   2.2525   4.6968   3.2305   3.8020   3.1425   23.645   7.6405   21.856   7.5448 1.789509 10.73784 
1 1 1   12   14   19 o   41.100   3.7671   13.658   2.4027   14.000   3.4390   13.332   3.3584   40.963   5.4878   39.953   5.5024 1.010201 7.771273 
1 1 1   12   14   20 o   26.482   5.5923   6.0055   2.2511   1.8733   3.1651   10.235   3.2023   18.334   7.3106   34.539   6.1327 -16.20406 9.542235 
1 1 1   12   14   21 o   45.174   3.3805   16.480   2.3791   15.138   3.3747   17.806   3.3545   42.492   5.1669   46.386   4.6718 -3.893982 6.965822 
1 1 1   12   14   22 o   20.403   6.9331   3.5670   2.6511   4.3018   3.7349   2.8209   3.7635   22.440   8.1766   20.205   7.9991 2.234800 11.43864 
1 1 1   12   14   23 o   17.171   6.2798   2.3312   2.2061   1.9414   3.0900   2.7365   3.1507   17.704   7.1659   19.017   7.3807 -1.313261 10.28712 
1 1 1   12   14   24 o   34.972   4.2658   10.431   2.2928   9.2333   3.2688   11.590   3.2167   30.977   6.9011   35.625   5.9644 -4.648533 9.121373 
1 1 1   12   14   25 o   10.958   5.1066  -1.2931   2.1460   0.7426   3.0738  -3.2288   2.9975   15.271   6.6965   11.527   5.5569 3.744447 8.701884 
1 1 1   12   14   26 o   18.542   6.2198   3.3866   2.1335   4.9894   3.0483   1.8472   2.9872   21.428   7.4292   16.244   6.8513 5.183792 10.10610 
1 1 1   12   14   27 o   16.990   6.1377   2.8151   2.0985   7.5072   3.0203  -1.5643   2.9179   26.173   7.1515   12.257   5.7880 13.91631 9.200276 
1 1 1   12   14   28 o   10.188   4.8618  -1.5906   2.1679  -3.4343   3.1050   0.1630   3.0282   10.919   5.3509   13.399   6.1820 -2.479530 8.176091 
1 1 1   12   14   29 o   10.379   4.9033  -0.8813   2.0984  -2.5988   3.0465   0.6690   2.8944   10.907   5.3357   13.125   6.0515 -2.217734 8.067876 
1 1 1   12   15    0 o  176.036   2.3751  243.476   6.5586  243.476   6.5586  243.476   6.5586  176.036   2.3751  176.036   2.3751 0.000000 0.000000 
1 1 1   12   15    1 o  146.370   1.7368  168.247   3.9894  170.595   5.6610  165.930   5.6228  147.326   2.4486  145.296   2.4660 2.029938 3.475141 
1 1 1   12   15    2 o  212.978   1.6477  356.191   5.5072  363.387   7.8881  349.348   7.6923  215.034   2.3376  210.841   2.3248 4.192825 3.296818 
1 1 1   12   15    3 o   50.582   3.1842   20.215   2.5147   25.260   3.5913   15.361   3.5225   56.455   4.0812   43.766   5.2322 12.68932 6.635666 
1 1 1   12   15    4 o  112.375   2.0009   99.209   3.5287  108.004   5.1545   91.452   4.8409  117.181   2.8030  107.785   2.8645 9.396072 4.007738 
1 1 1   12   15    5 f  152.461   2.0082  182.626   4.8049  177.799   7.4752  186.025   6.2722  150.285   3.1696  153.805   2.5986 -3.519409 4.098658 
1 1 1   12   15    6 o  137.207   1.8413  147.892   3.9646  150.628   5.7561  145.423   5.4686  138.382   2.6506  135.981   2.5627 2.400543 3.686856 
1 1 1   12   15    7 o   11.188   5.2687  -2.5969   2.3873   0.0352   3.4881  -4.9162   3.2742   17.198   7.3343   12.106   5.8288 5.092043 9.368408 
1 1 1   12   15    8 o   58.238   2.7297   26.753   2.4879   26.888   3.5460   26.623   3.4914   58.226   3.9033   57.945   3.8616 0.2815437 5.490671 
1 1 1   12   15    9 o   32.645   4.5118   8.5948   2.2497   11.971   3.2408   5.4546   3.1254   38.415   5.5353   25.729   7.3658 12.68622 9.213828 
1 1 1   12   15   10 o  123.325   1.7987  119.533   3.4811  120.857   4.9879  118.276   4.8605  123.901   2.5653  122.577   2.5267 1.323906 3.600711 
1 1 1   12   15   11 o   72.864   2.3638   41.832   2.6993   43.212   3.8549   40.505   3.7810   73.908   3.3322   71.542   3.3773 2.365234 4.744413 
1 1 1   12   15   12 o   70.274   2.4396   38.938   2.6864   41.131   3.8198   36.792   3.7787   72.070   3.3869   68.122   3.5469 3.947670 4.904230 
1 1 1   12   15   13 o   78.266   2.5360   48.328   3.1106   44.971   4.3308   51.905   4.4708   75.267   3.6777   80.909   3.5296 -5.642830 5.097381 
1 1 1   12   15   14 o   52.578   3.4234   21.988   2.8093   17.617   3.9152   26.627   4.0334   46.526   5.4664   57.615   4.4966 -11.08876 7.078215 
1 1 1   12   15   15 o   61.215   3.2183   29.776   3.0808   27.583   4.5180   31.682   4.2119   58.400   4.9771   62.847   4.2964 -4.447243 6.575027 
1 1 1   12   15   16 o   22.616   7.0490   4.2571   2.7710   4.6711   3.9880   3.8706   3.8530   24.300   8.4931   22.857   8.3084 1.443016 11.88115 
1 1 1   12   15   17 o  102.851   2.1929   83.539   3.5395   81.020   4.9098   86.265   5.1072  100.918   3.1039  104.125   3.1291 -3.206642 4.407398 
1 1 1   12   15   18 o   40.157   4.3310   13.158   2.6862   15.688   3.8071   10.650   3.7906   43.299   5.7445   34.951   7.1523 8.348717 9.173598 
1 1 1   12   15   19 o   35.964   4.9270   10.754   2.7077   15.117   3.8524   6.4939   3.8066   42.237   5.9791   26.899   8.2411 15.33791 10.18162 
1 1 1   12   15   20 o   25.479   6.6732   5.7539   2.6994   5.5765   3.8443   5.9264   3.7912   25.018   8.3483   25.633   8.2766 -0.6148300 11.75565 
1 1 1   12   15   21 o   14.771   6.2893   0.4487   2.5575  -0.3905   3.6838   1.2295   3.5535   16.237   7.2156   17.827   7.4930 -1.589802 10.40237 
1 1 1   12   15   22 o   28.032   6.2481   7.0716   2.6784   5.3951   3.8302   8.6759   3.7468   24.011   8.3276   30.122   7.8485 -6.110634 11.44323 
1 1 1   12   15   23 o   15.357   6.3599   1.2068   2.5048   3.3935   3.5509  -0.9588   3.5338   20.016   7.8163   14.823   6.7797 5.192069 10.34692 
1 1 1   12   15   24 o   18.084   6.7320   2.9360   2.5546   1.9866   3.5853   3.9150   3.6408   17.594   7.4672   20.237   7.9112 -2.643183 10.87873 
1 1 1   12   15   25 o   11.742   5.5023  -1.4579   2.5483  -1.7043   3.5657  -1.2007   3.6431   13.641   6.4284   14.161   6.6171 -0.5197182 9.225564 
1 1 1   12   15   26 o   14.516   6.2396   1.0972   2.5613   2.0523   3.7518   0.2636   3.5052   17.050   7.4390   14.966   6.8092 2.083661 10.08484 
1 1 1   12   15   27 o   19.346   6.5995   4.1225   2.4024   3.8601   3.3966   4.3851   3.3984   18.425   7.4928   19.186   7.5994 -0.7607231 10.67203 
1 1 1   12   15   28 o   13.710   6.0121   1.3978   2.4778   0.3587   3.4674   2.4820   3.5420   13.654   6.4047   15.585   6.9899 -1.930452 9.480452 
1 1 1   12   16    0 o   51.632   6.5299   22.041   5.0610   22.041   5.0610   22.041   5.0610   51.632   6.5299   51.632   6.5299 0.000000 0.000000 
1 1 1   12   16    1 o  234.786   2.3445  433.361   8.6383  425.557   12.096  441.484   12.341  232.442   3.3159  236.750   3.3216 -4.308136 4.693443 
1 1 1   12   16    2 f  145.144   2.4547  165.653   5.5912  174.788   8.1011  157.344   7.7264  148.935   3.4661  141.304   3.4843 7.630386 4.914692 
1 1 1   12   16    3 o  189.038   1.8899  280.766   5.6064  277.173   7.8792  284.450   7.9790  187.702   2.6749  190.150   2.6739 -2.447952 3.782173 
1 1 1   12   16    4 o   80.722   2.5412   51.305   3.2151   50.446   4.5576   52.155   4.5362   79.898   3.6445   81.255   3.5661 -1.356949 5.098967 
1 1 1   12   16    5 o   75.358   2.8063   44.762   3.3130   46.836   5.0068   43.146   4.4186   76.881   4.1654   73.839   3.8263 3.042435 5.656083 
1 1 1   12   16    6 o   65.462   2.8524   33.805   2.9232   30.592   4.0953   37.141   4.1739   62.062   4.2302   68.468   3.9007 -6.405918 5.754144 
1 1 1   12   16    7 o   24.472   6.6622   4.9522   2.6267   0.5258   3.7736   9.1127   3.6585   18.412   7.7292   33.065   7.2508 -14.65308 10.59784 
1 1 1   12   16    8 o  106.143   2.1191   88.600   3.5297   87.191   5.1607   89.839   4.8385  105.110   3.1322  106.741   2.8911 -1.630852 4.262528 
1 1 1   12   16    9 o   35.608   4.5580   10.219   2.4886   8.2592   3.7600   11.746   3.3199   31.339   7.7011   37.947   5.7553 -6.607597 9.614106 
1 1 1   12   16   10 o  122.376   1.9559  117.774   3.7561  118.225   5.1332  117.254   5.5108  122.492   2.6704  121.946   2.8797 0.5458908 3.927276 
1 1 1   12   16   11 o   36.943   4.2372   10.970   2.4121   10.461   3.4223   11.473   3.4002   35.548   6.3687   37.368   6.0014 -1.820217 8.750804 
1 1 1   12   16   12 o   87.521   2.1686   60.310   2.9786   61.691   4.2576   58.986   4.1685   88.312   3.0768   86.351   3.0811 1.961250 4.354274 
1 1 1   12   16   13 o   52.886   3.1157   22.201   2.5744   24.031   3.7394   20.553   3.5494   54.728   4.3908   50.552   4.5219 4.176804 6.302879 
1 1 1   12   16   14 o   77.027   2.3832   46.860   2.8774   48.192   4.1607   45.640   3.9836   77.849   3.4140   75.772   3.3584 2.076935 4.788943 
1 1 1   12   16   15 o   90.006   2.1303   63.902   3.0090   67.165   4.3481   60.903   4.1684   91.985   3.0162   87.580   3.0374 4.404953 4.280590 
1 1 1   12   16   16 o   62.056   2.7209   30.576   2.6433   30.157   3.7583   30.987   3.7185   61.239   3.9315   62.116   3.8334 -0.8764420 5.491000 
1 1 1   12   16   17 o   22.506   6.2660   4.3491   2.2943   9.1906   3.2936  -0.2153   3.1979   32.615   6.6603   15.711   6.8613 16.90396 9.562264 
1 1 1   12   16   18 o   50.709   3.3385   20.658   2.6419   20.828   3.6476   20.471   3.8317   50.367   4.6680   49.785   4.9708 0.5822258 6.819006 
1 1 1   12   16   19 o   25.155   6.6347   5.5987   2.6563   6.0213   3.6609   5.1288   3.8600   25.815   8.1106   24.262   8.3626 1.552814 11.64963 
1 1 1   12   16   20 o   52.609   3.3582   22.368   2.7581   18.571   3.9239   26.075   3.8775   46.821   5.4417   56.232   4.4298 -9.410839 7.016746 
1 1 1   12   16   21 o   24.940   6.4762   5.6404   2.5569   4.2031   3.6898   6.9682   3.5464   22.062   8.1128   27.071   7.8757 -5.009804 11.30683 
1 1 1   12   16   22 o   39.324   3.9906   12.931   2.4286   9.4982   3.4171   16.436   3.4523   31.637   7.0616   43.529   5.1537 -11.89207 8.742246 
1 1 1   12   16   23 o   18.447   6.6161   3.0963   2.4332   5.8475   3.4479   0.3665   3.4344   23.673   7.9063   15.667   6.9644 8.005569 10.53624 
1 1 1   12   16   24 o   17.256   6.4921   2.6944   2.3886   2.1639   3.3724   3.2284   3.3837   17.257   7.2792   18.718   7.5262 -1.460258 10.47046 
1 1 1   12   16   25 o   10.943   5.1610  -1.5765   2.3065  -4.8195   3.2575   1.6842   3.2664   10.956   5.3912   16.233   7.0125 -5.277043 8.845399 
1 1 1   12   16   26 o   10.053   4.8133  -2.0133   2.1628  -4.9149   3.0500   0.9213   3.0673   10.322   5.1048   14.788   6.5771 -4.466322 8.325717 
1 1 1   12   16   27 o   24.741   5.7706   6.4694   2.1992   6.6717   3.1354   6.2735   3.0855   22.429   7.5402   21.776   7.4777 0.6532135 10.61936 
1 1 1   12   17    0 o   46.977   5.0684   18.002   3.6266   18.002   3.6266   18.002   3.6266   46.977   5.0684   46.977   5.0684 0.000000 0.000000 
1 1 1   12   17    1 o   56.300   2.9644   25.033   2.6099   23.403   3.6979   26.652   3.6839   54.216   4.3837   57.933   4.0781 -3.717007 5.987326 
1 1 1   12   17    2 o   57.897   2.8806   26.463   2.6090   34.324   3.7790   19.303   3.6065   65.844   3.6718   49.137   4.7356 16.70694 5.992313 
1 1 1   12   17    3 o   43.445   3.7387   15.011   2.5242   17.969   3.6375   12.264   3.5057   47.339   4.9704   38.801   5.9466 8.538300 7.750273 
1 1 1   12   17    4 o   55.431   3.1541   24.299   2.7324   25.356   3.7697   23.128   3.9661   56.445   4.2879   53.805   4.7457 2.639084 6.395886 
1 1 1   12   17    5 o  113.081   2.0892  100.552   3.7074  105.873   5.2062   95.077   5.2807  115.925   2.8618  109.781   3.0682 6.144226 4.195699 
1 1 1   12   17    6 o  124.918   2.0136  122.699   3.9474  128.137   5.6364  117.465   5.5301  127.527   2.8164  122.088   2.8864 5.439087 4.032731 
1 1 1   12   17    7 o   72.265   2.7240   41.202   3.0836   42.570   4.3539   39.826   4.3678   73.268   3.7997   70.831   3.9450 2.436623 5.477290 
1 1 1   12   17    8 o   47.768   3.8017   18.168   2.8264   14.232   3.8646   22.694   4.1442   41.728   6.0802   53.157   5.0277 -11.42909 7.889637 
1 1 1   12   17    9 o  121.515   1.9594  116.146   3.7364  115.810   5.4483  116.444   5.1340  121.171   2.8652  121.539   2.6917 -0.3684387 3.931234 
1 1 1   12   17   10 o   18.935   6.5970   2.6247   2.4051   1.3562   3.3551   3.9656   3.4495   18.490   7.4732   22.893   7.9048 -4.403269 10.87814 
1 1 1   12   17   11 o   12.854   5.7223  -0.8065   2.3276  -3.0690   3.3399   1.3299   3.2455   13.537   6.3290   18.180   7.3493 -4.642922 9.698847 
1 1 1   12   17   12 o   61.280   2.8162   29.739   2.7010   33.666   3.8791   26.042   3.7632   64.967   3.8217   56.999   4.2374 7.967384 5.706163 
1 1 1   12   17   13 o  103.418   2.0848   84.300   3.3835   82.449   4.7290   86.241   4.8430  102.003   2.9574  104.323   2.9612 -2.319931 4.185090 
1 1 1   12   17   14 o   26.339   6.0380   5.8920   2.4423   4.0856   3.5025   7.6016   3.4073   22.812   7.9602   29.616   7.3627 -6.804123 10.84323 
1 1 1   12   17   15 o   39.774   4.0561   12.817   2.4963   11.634   3.5532   13.970   3.5079   37.053   6.3384   40.987   5.6001 -3.933891 8.457965 
1 1 1   12   17   16 o   28.178   5.6297   6.7434   2.4023   4.3997   3.4237   9.0163   3.3716   23.055   7.8781   32.191   6.8827 -9.135944 10.46114 
1 1 1   12   17   17 o   49.077   3.3182   19.353   2.5405   19.807   3.6131   18.909   3.5730   49.059   4.7525   47.894   4.8193 1.164928 6.768420 
1 1 1   12   17   18 o   30.700   5.6505   8.0750   2.6220   9.2818   3.6770   6.8266   3.7400   32.093   7.4453   27.319   8.1257 4.774477 11.02089 
1 1 1   12   17   19 o   31.392   6.7446   8.7922   3.2236   9.4280   4.5598   8.1568   4.5578   31.347   8.8716   29.167   9.0324 2.180151 12.66053 
1 1 1   12   17   20 o   13.585   5.9948  -0.2581   2.4994  -1.9150   3.5432   1.3829   3.5263   14.394   6.6574   17.812   7.4741 -3.418310 10.00914 
1 1 1   12   17   21 o   28.125   5.6235   7.0494   2.3953   6.7787   3.3791   7.3228   3.3958   26.352   7.6938   27.430   7.6179 -1.078609 10.82714 
1 1 1   12   17   22 o   18.991   6.5393   3.3279   2.3602   5.1355   3.3769   1.6018   3.3000   22.532   7.8191   16.982   7.1837 5.549940 10.61809 
1 1 1   12   17   23 o   12.831   5.8148  -0.4202   2.5255  -3.5737   3.5687   2.7440   3.5747   12.495   6.0335   18.280   7.5865 -5.784790 9.693165 
1 1 1   12   17   24 o   15.729   6.4205   1.9004   2.5052   1.0907   3.5472   2.7063   3.5388   15.939   7.0819   17.784   7.4763 -1.844598 10.29802 
1 1 1   12   17   25 o   12.571   5.6854  -0.1194   2.3996  -1.0763   3.4091   0.8202   3.3781   13.531   6.3480   15.185   6.8172 -1.654127 9.315136 
1 1 1   12   17   26 o   11.037   5.1420  -0.7670   2.1734  -1.3347   3.0662  -0.1938   3.0812   12.293   5.8426   13.251   6.1561 -0.9576178 8.487210 
1 1 1   12   17   27 o   10.345   4.9121  -1.0631   2.1574  -1.8019   3.0616  -0.3346   3.0404   11.429   5.5355   12.442   5.8855 -1.013579 8.079666 
1 1 1   12   18    0 o   46.256   5.2234   17.534   3.6673   17.534   3.6673   17.534   3.6673   46.256   5.2234   46.256   5.2234 0.000000 0.000000 
1 1 1   12   18    1 o   50.463   3.3111   20.182   2.6077   23.728   3.7290   16.789   3.6479   54.541   4.3938   45.653   5.1834 8.888077 6.795120 
1 1 1   12   18    2 o   23.261   6.4110   4.4744   2.4152   5.6573   3.4456   3.3317   3.3865   26.216   7.7997   21.793   7.8065 4.422792 11.03525 
1 1 1   12   18    3 o   35.088   4.5800   9.9308   2.4618   10.621   3.4675   9.2297   3.4957   35.885   6.3916   33.279   6.9194 2.606339 9.419703 
1 1 1   12   18    4 o   16.015   6.3552   1.1398   2.3808  -1.0798   3.3649   3.3648   3.3690   15.537   6.9007   21.807   7.7893 -6.270780 10.40635 
1 1 1   12   18    5 o   64.400   2.7373   32.745   2.7601   32.921   3.8854   32.566   3.9215   64.377   3.8637   64.015   3.9224 0.3612595 5.505738 
1 1 1   12   18    6 o   34.579   4.8092   9.6906   2.5392   10.211   3.6565   9.2063   3.5289   34.993   6.9038   33.167   7.0003 1.825932 9.831903 
1 1 1   12   18    7 o   40.105   4.1423   12.894   2.5696   13.863   3.6382   11.929   3.6297   41.207   5.7852   38.031   6.3022 3.176098 8.554887 
1 1 1   12   18    8 o  126.057   2.0461  125.053   4.0477  119.347   5.4525  132.058   6.0412  122.983   2.8252  129.327   2.9766 -6.343521 4.103883 
1 1 1   12   18    9 o   59.104   2.9575   27.665   2.7344   30.871   3.8815   24.506   3.8528   62.215   3.9967   55.282   4.4794 6.932655 6.003176 
1 1 1   12   18   10 o   68.569   2.6491   37.173   2.8453   40.136   4.1276   34.490   3.9275   70.999   3.7175   65.774   3.8214 5.224670 5.331366 
1 1 1   12   18   11 o   26.054   6.4015   5.7515   2.5983   7.2996   3.5550   3.9763   3.8069   29.138   7.6709   23.101   8.2767 6.036936 11.28478 
1 1 1   12   18   12 o   31.992   5.4283   8.5010   2.6280   7.5516   3.7329   9.4339   3.7004   29.484   7.9060   33.117   7.3157 -3.632511 10.77147 
1 1 1   12   18   13 o   41.740   4.5574   14.185   2.9368   12.715   4.0979   15.738   4.2109   38.556   7.0317   43.280   6.3920 -4.723892 9.502792 
1 1 1   12   18   14 o   24.050   7.1784   4.9763   2.9148   6.0839   4.0677   3.8074   4.1789   26.490   8.5747   22.884   8.5917 3.606443 12.13849 
1 1 1   12   18   15 o   39.409   4.8631   12.822   2.9438   12.529   4.0736   13.143   4.2590   37.945   7.1020   38.802   7.2612 -0.8572426 10.15690 
1 1 1   12   18   16 o   38.505   4.5862   12.229   2.7168   11.905   3.8900   12.537   3.7961   36.873   6.9779   38.064   6.5938 -1.190441 9.600473 
1 1 1   12   18   17 o   38.453   4.3690   12.193   2.5898   15.651   3.7062   8.8929   3.6203   42.988   5.6289   31.366   7.4637 11.62261 9.348359 
1 1 1   12   18   18 o   24.413   6.3945   5.3015   2.4785   7.6135   3.4946   2.9612   3.5159   28.742   7.6237   20.237   7.8122 8.504663 10.91567 
1 1 1   12   18   19 o   26.756   6.0065   6.3653   2.4601   5.8238   3.5246   6.8797   3.4352   24.918   7.9741   27.012   7.7188 -2.094061 11.09802 
1 1 1   12   18   20 o   18.274   6.5694   2.7953   2.4006   6.9842   3.4172  -1.2860   3.3731   26.788   7.7124   14.373   6.5924 12.41528 10.14597 
1 1 1   12   18   21 o   18.622   6.5844   3.1343   2.4018   0.9807   3.4231   5.2225   3.3708   16.442   7.1406   22.748   7.8157 -6.305878 10.58644 
1 1 1   12   18   22 o   11.484   5.3395  -1.2438   2.3246  -0.2019   3.2676  -2.3114   3.3077   14.566   6.6063   12.844   6.0939 1.722346 8.987681 
1 1 1   12   18   23 o   13.490   5.8915   0.5369   2.3582   1.8539   3.3209  -0.8027   3.3493   16.579   7.1154   13.886   6.4401 2.692995 9.597071 
1 1 1   12   18   24 o   13.414   5.8790   0.5825   2.3665  -2.3662   3.3144   3.6492   3.3801   12.449   5.9601   18.707   7.5221 -6.257999 9.597153 
1 1 1   12   18   25 o   16.165   6.2706   2.5788   2.2734   5.2017   3.2668   0.1160   3.1656   20.482   7.6152   13.838   6.3616 6.643453 9.922714 
1 1 1   12   18   26 o   16.946   6.3266   3.4004   2.2593  -2.1453   3.1977   8.9286   3.1926   11.543   5.6064   26.151   7.4310 -14.60806 9.308682 
1 1 1   12   19    0 f   65.033   3.8496   33.687   3.8969   33.687   3.8969   33.687   3.8969   65.033   3.8496   65.033   3.8496 0.000000 0.000000 
1 1 1   12   19    1 o   34.725   4.7041   9.7616   2.4976   7.0745   3.5088   12.522   3.5561   28.971   7.6180   39.085   5.9881 -10.11459 9.689739 
1 1 1   12   19    2 o   46.608   3.6342   17.292   2.6371   17.292   3.6804   17.292   3.7806   46.278   5.1552   46.239   5.3061 0.3858948E-01 7.398019 
1 1 1   12   19    3 o   40.268   4.1315   12.997   2.5738   10.691   3.6024   15.402   3.6787   35.864   6.6453   43.545   5.5062 -7.681053 8.630073 
1 1 1   12   19    4 o   81.927   2.4226   52.924   3.1112   47.366   4.2915   59.081   4.5170   77.284   3.5479   86.381   3.3385 -9.097115 4.871672 
1 1 1   12   19    5 o   27.375   5.9154   6.2466   2.4669   7.4725   3.5221   5.0661   3.4564   29.703   7.5432   24.941   7.8867 4.762037 10.91331 
1 1 1   12   19    6 o   34.851   4.6660   9.8499   2.4879   6.7723   3.5249   12.905   3.5119   28.276   7.7257   39.664   5.8147 -11.38745 9.669392 
1 1 1   12   19    7 o   45.145   3.8436   16.297   2.6971   17.871   3.8528   14.784   3.7769   46.904   5.3287   42.462   5.8211 4.441475 7.891759 
1 1 1   12   19    8 o   47.319   4.1701   17.973   3.0650   16.612   4.0469   19.805   4.6938   44.979   5.8734   49.041   6.2402 -4.061161 8.569541 
1 1 1   12   19    9 o   42.231   4.3318   14.394   2.8302   14.505   3.9507   14.277   4.0565   41.804   6.2105   41.380   6.4575 0.4242287 8.959285 
1 1 1   12   19   10 o   34.061   5.3876   9.5974   2.7841   9.6858   3.9081   9.5063   3.9671   33.488   7.6099   33.123   7.7674 0.3652191 10.87397 
1 1 1   12   19   11 o   67.631   2.7736   36.290   2.9375   38.620   4.1284   33.901   4.1805   69.440   3.8030   64.930   4.1241 4.510735 5.609916 
1 1 1   12   19   12 o   60.646   2.9827   29.283   2.8300   25.891   3.9845   32.735   4.0201   56.479   4.5336   63.755   4.0388 -7.275673 6.071669 
1 1 1   12   19   13 o   44.122   3.8862   15.742   2.6634   15.849   3.7962   15.638   3.7377   43.561   5.6890   43.289   5.6355 0.2713966 8.007722 
1 1 1   12   19   14 o   11.029   5.2321  -2.7070   2.4368  -4.7114   3.4078  -0.6098   3.4858   12.289   5.9246   15.873   7.0382 -3.583815 9.199867 
1 1 1   12   19   15 o   11.715   5.4598  -1.9811   2.4540   1.4908   3.4181  -5.6740   3.5253   18.186   7.4702   11.969   5.8296 6.217671 9.475621 
1 1 1   12   19   16 o   35.284   4.8032   10.403   2.5906   11.949   3.6344   8.8063   3.6935   36.993   6.4974   31.080   7.6300 5.913519 10.02165 
1 1 1   12   19   17 o   13.389   5.9114  -0.3417   2.4337   3.9975   3.4626  -4.5778   3.4212   21.834   7.8846   12.252   5.9138 9.582891 9.856000 
1 1 1   12   19   18 o   18.454   6.7559   2.7019   2.5543   3.5669   3.4821   1.6944   3.7582   20.884   7.8424   18.541   7.7434 2.343266 11.02106 
1 1 1   12   19   19 o   13.890   6.1284  -0.1067   2.6111   0.4188   3.6843  -0.6369   3.7010   16.657   7.3170   15.631   7.0660 1.026013 10.17186 
1 1 1   12   19   20 o   22.581   7.0085   4.9923   2.7424   3.7281   3.7756   6.4041   3.9899   20.383   8.0298   24.563   8.5004 -4.180874 11.69334 
1 1 1   12   19   21 o   15.018   6.5837   0.6797   2.9693   2.4206   4.4674  -0.6981   3.9741   18.715   8.1423   15.301   7.0676 3.414531 10.78188 
1 1 1   12   19   22 o   13.422   6.0713  -0.1292   2.7378  -1.4371   4.2630   0.7890   3.5717   14.838   7.0037   15.706   7.0337 -0.8682089 9.925965 
1 1 1   12   19   23 o   24.494   6.8670   6.4341   2.7454   4.8719   3.8548   8.0421   3.9109   20.438   8.0941   25.416   8.4186 -4.978689 11.67849 
1 1 1   12   19   24 o   13.218   6.0196   0.0510   2.7475   0.4597   3.8026  -0.3955   3.9741   15.044   6.9363   14.577   6.8437 0.4668379 9.744179 
1 1 1   12   19   25 o   12.175   5.6040   0.0303   2.4676  -2.8149   3.4445   3.0296   3.5366   11.628   5.6853   16.299   7.1638 -4.670282 9.145686 
1 1 1   12   19   26 o   9.2728   4.5738  -3.0725   2.3912  -0.4786   3.4198  -5.5540   3.3448   12.556   6.0227   9.8805   4.9575 2.675824 7.800640 
1 1 1   12   20    0 o   14.689   8.9317   1.6890   3.8476   1.6890   3.8476   1.6890   3.8476   14.689   8.9317   14.689   8.9317 0.000000 0.000000 
1 1 1   12   20    1 o   29.939   6.1570   7.4905   2.7961   6.6224   3.9445   8.3672   3.9641   28.025   8.3471   31.283   8.0336 -3.257433 11.58506 
1 1 1   12   20    2 o   12.134   5.7720  -3.6589   3.0059  -4.6951   4.1306  -2.4926   4.3825   14.364   6.8135   16.583   7.5714 -2.219568 10.18578 
1 1 1   12   20    3 o   63.665   3.5884   32.241   3.5706   31.551   4.9918   32.964   5.1095   62.537   5.1315   63.929   5.1362 -1.391819 7.260387 
1 1 1   12   20    4 o   26.475   7.2472   5.9368   3.0984   7.9479   4.1998   3.5349   4.5896   30.412   8.4815   23.506   8.9632 6.906160 12.34002 
1 1 1   12   20    5 o   16.751   7.0008   0.6286   3.0750   3.4109   4.2493  -2.4302   4.4554   22.832   8.6436   16.742   7.6402 6.090002 11.53626 
1 1 1   12   20    6 o   39.686   4.7867   12.803   2.9210   9.3631   4.0088   16.696   4.2650   32.952   7.8623   44.915   6.2174 -11.96337 10.02357 
1 1 1   12   20    7 o   43.141   4.7252   15.109   3.1467   15.495   4.6127   14.773   4.3037   42.837   7.1109   41.941   6.7691 0.8959236 9.817684 
1 1 1   12   20    8 o   74.640   3.1268   44.275   3.6544   41.602   4.9212   47.561   5.4565   71.909   4.3817   76.833   4.5457 -4.924004 6.313750 
1 1 1   12   20    9 o   22.102   7.2710   3.9930   2.9190   7.3668   4.1484   0.6847   4.1080   28.970   8.5429   18.825   7.9914 10.14561 11.69802 
1 1 1   12   20   10 o   16.482   6.8393   0.8440   2.9047   1.8535   4.0183  -0.2607   4.2036   20.002   8.1439   17.925   7.8464 2.076960 11.30881 
1 1 1   12   20   11 o   20.567   7.2382   3.2987   2.8999   1.2378   4.0782   5.4064   4.1243   19.254   8.0556   25.302   8.6466 -6.047750 11.81763 
1 1 1   12   20   12 o   37.128   5.3523   11.525   3.0286   11.834   4.2679   11.212   4.2984   36.534   7.6878   35.417   7.9313 1.117069 11.04576 
1 1 1   12   20   13 o   32.601   6.1438   9.1486   3.0280   3.2702   4.2484   15.218   4.3169   21.891   8.5493   41.904   6.7973 -20.01353 10.92210 
1 1 1   12   20   14 o   18.961   7.0479   2.6400   2.7979   0.6086   3.9285   4.7309   3.9857   17.966   7.7253   23.685   8.4708 -5.718048 11.46455 
1 1 1   12   20   15 o   32.904   5.7664   9.3272   2.8691   12.278   4.0862   6.4574   4.0295   36.963   7.3035   26.434   8.5324 10.52834 11.23140 
1 1 1   12   20   16 o   16.449   6.7084   1.3437   2.7319   4.3350   3.8570  -1.6676   3.8699   22.585   8.2963   15.393   7.0606 7.191644 10.89410 
1 1 1   12   20   17 o   22.192   7.2773   4.4761   2.9250   3.0455   4.3697   5.6375   3.9372   20.925   8.5026   24.451   8.4449 -3.525635 11.98380 
1 1 1   12   20   18 o   27.439   6.9302   7.1175   2.9844   6.6848   4.2138   7.5530   4.2275   25.649   8.7405   27.105   8.7387 -1.456362 12.35972 
1 1 1   12   20   19 o   16.461   6.8747   1.5680   2.9622  -1.4440   4.1673   4.6441   4.2114   15.368   7.1464   21.784   8.5106 -6.415728 11.11315 
1 1 1   12   20   20 o   18.438   7.0072   3.1501   2.7991   0.0383   3.8194   6.7609   4.1142   15.673   7.1219   24.244   8.6132 -8.570988 11.17629 
1 1 1   12   20   21 o   14.288   6.3537   0.4567   2.8611  -1.2082   4.0233   2.1601   4.0696   14.635   6.8757   17.597   7.7111 -2.961745 10.33133 
1 1 1   12   20   22 o   10.947   5.2525  -2.3701   2.6060   1.4660   3.6672  -6.2835   3.7040   16.216   7.2031   11.074   5.5026 5.142299 9.064378 
1 1 1   12   20   23 o   10.552   5.0956  -2.5322   2.5460  -2.5909   3.5490  -2.4699   3.6544   12.510   6.0349   12.759   6.1472 -0.2489929 8.614401 
1 1 1   12   20   24 o   9.7784   4.8576  -4.5516   2.8791  -3.8366   3.8191  -5.4929   4.3821   11.746   5.7909   11.828   5.8949 -0.8238506E-01 8.263438 
1 1 1   12   20   25 o   13.665   6.1229   1.5371   2.7107   2.8377   3.8191   0.2165   3.8483   15.355   7.0322   13.421   6.4244 1.934377 9.524967 
1 1 1   12   21    0 o   12.569   8.0556   0.3318   3.5889   0.3318   3.5889   0.3318   3.5889   12.569   8.0556   12.569   8.0556 0.000000 0.000000 
1 1 1   12   21    1 o   43.860   4.0184   15.467   2.7352   16.862   3.8900   14.103   3.8466   45.327   5.5869   41.209   6.1348 4.117790 8.297570 
1 1 1   12   21    2 o   23.052   7.0706   4.4261   2.8010   3.4890   4.0448   5.2896   3.8827   22.571   8.4572   25.363   8.3877 -2.792347 11.91123 
1 1 1   12   21    3 f   16.787   6.7966   1.1528   2.7804  -1.4774   3.9944   3.6249   3.8726   16.453   7.3976   22.543   8.3076 -6.089436 11.12387 
1 1 1   12   21    4 o   26.770   7.0931   6.1488   3.0271   8.3781   4.1373   3.5806   4.4406   30.949   8.3342   23.148   8.8189 7.800676 12.13394 
1 1 1   12   21    5 o   46.948   4.0387   17.747   2.9466   18.527   4.3069   17.062   4.0402   47.303   5.9321   45.420   5.8005 1.883060 8.296689 
1 1 1   12   21    6 o   23.292   7.0034   4.5933   2.7668   4.2693   3.9152   4.9165   3.9105   23.489   8.3962   24.565   8.4188 -1.076426 11.88999 
1 1 1   12   21    7 o   31.532   6.2755   8.4607   2.9960   6.3231   4.2507   10.571   4.2234   27.070   8.7657   34.672   7.9343 -7.601513 11.82332 
1 1 1   12   21    8 o   42.314   4.6050   14.631   3.0086   15.311   4.0918   13.830   4.4390   42.591   6.3127   39.957   7.3500 2.634350 9.688796 
1 1 1   12   21    9 o   19.968   6.8713   3.1644   2.6058   2.2238   3.6462   4.1461   3.7253   19.792   7.8613   22.881   8.1887 -3.089064 11.35140 
1 1 1   12   21   10 o   13.258   5.9363  -0.8316   2.5427   0.1261   3.5494  -1.8412   3.6444   16.840   7.2924   15.062   6.8874 1.777959 10.03073 
1 1 1   12   21   11 o   40.517   4.3375   13.455   2.7150   12.607   3.8093   14.331   3.8707   38.181   6.5960   40.959   6.2170 -2.777637 9.064084 
1 1 1   12   21   12 o   47.985   3.9287   18.726   2.9326   19.976   4.3369   17.673   3.9806   48.604   5.8002   45.761   5.6639 2.843647 8.106922 
1 1 1   12   21   13 o   15.088   6.4891   0.2570   2.7729  -3.7285   3.9187   4.2542   3.9244   14.049   6.6560   22.761   8.3673 -8.712284 10.69174 
1 1 1   12   21   14 o   31.456   6.0047   8.6368   2.8560   6.8529   4.1132   10.298   3.9688   26.993   8.6116   33.417   7.7230 -6.424175 11.56738 
1 1 1   12   21   15 o   12.978   5.9627  -1.4527   2.7754  -1.4817   4.0031  -1.4258   3.8513   15.751   7.2084   15.492   7.0826 0.2588844 10.10567 
1 1 1   12   21   16 o   21.296   6.8522   4.1103   2.6001   1.7689   3.7408   6.2987   3.6165   18.453   7.7174   25.536   8.0664 -7.083313 11.16361 
1 1 1   12   21   17 o   24.313   6.7326   5.6021   2.6566   8.4366   3.7476   2.7388   3.7666   28.983   7.9851   19.370   7.8854 9.612852 11.22232 
1 1 1   12   21   18 o   36.366   4.8932   11.628   2.7217   13.379   3.7644   9.7113   3.9397   37.462   6.6466   30.358   8.1140 7.104393 10.48875 
1 1 1   12   21   19 o   17.421   6.6615   2.7027   2.5397   4.1500   3.5465   1.1791   3.6387   20.225   7.8357   16.476   7.2532 3.748907 10.67736 
1 1 1   12   21   20 o   11.727   5.4770  -1.2357   2.4907   1.5947   3.5310  -4.0383   3.5137   16.437   7.1932   11.911   5.8055 4.526209 9.243727 
1 1 1   12   21   21 o   19.502   6.8018   4.0598   2.5571   3.2460   3.6113   4.8780   3.6213   18.161   7.5881   20.429   7.9170 -2.267963 10.96620 
1 1 1   12   21   22 o   13.338   5.8836   0.6356   2.4057  -2.2121   3.3632   3.6192   3.4425   12.426   5.9637   18.206   7.4896 -5.779785 9.573847 
1 1 1   12   21   23 o   16.812   6.4916   3.2164   2.4281   7.5934   3.4667  -0.9985   3.4019   23.302   7.9281   12.810   6.1068 10.49190 10.00735 
1 1 1   12   21   24 o   12.407   5.6923   0.5510   2.5174   1.4523   3.4326  -0.4978   3.7030   14.053   6.5182   12.861   6.1939 1.192726 8.991772 
1 1 1   12   22    0 o   10.609   7.2264  -1.9003   3.6970  -1.9003   3.6970  -1.9003   3.6970   10.609   7.2264   10.609   7.2264 0.000000 0.000000 
1 1 1   12   22    1 o   34.799   5.1365   10.021   2.7208   13.047   3.8067   6.8610   3.8902   39.300   6.3918   27.971   8.2792 11.32878 10.45947 
1 1 1   12   22    2 o   27.680   6.2430   6.5536   2.6470   5.1828   3.8001   7.8457   3.6892   24.872   8.3002   29.871   7.7904 -4.998598 11.38344 
1 1 1   12   22    3 o   18.823   6.8751   2.5360   2.6429   2.3739   3.7105   2.7029   3.7654   20.207   7.9604   20.770   8.0664 -0.5625992 11.33290 
1 1 1   12   22    4 o   67.078   3.4043   35.980   3.5718   37.601   4.7891   33.948   5.3619   68.103   4.5064   64.266   5.3655 3.836815 7.006851 
1 1 1   12   22    5 o   33.792   5.3247   9.5332   2.7303   10.834   3.8128   8.1640   3.9116   35.320   7.1251   30.264   8.0832 5.055420 10.77518 
1 1 1   12   22    6 o   49.661   3.8004   19.896   2.9393   19.027   4.1297   20.789   4.1844   47.800   5.6122   50.088   5.4092 -2.287766 7.794601 
1 1 1   12   22    7 o   50.232   4.3087   20.541   3.3638   20.085   4.3450   21.223   5.3143   48.987   5.7620   49.660   7.0143 -0.6729317 9.077444 
1 1 1   12   22    8 o   37.407   6.0389   11.916   3.4243   9.5022   4.8146   14.388   4.8714   31.969   9.1390   40.084   8.0242 -8.115057 12.16179 
1 1 1   12   22    9 o   15.215   6.5445   0.1968   2.8211  -4.6106   3.9694   5.1037   4.0103   13.676   6.5406   24.418   8.5179 -10.74228 10.73936 
1 1 1   12   22   10 o   14.552   6.4739  -0.6205   2.9736  -1.3869   4.0518   0.2741   4.3778   16.231   7.3594   18.426   8.0378 -2.195793 10.89800 
1 1 1   12   22   11 o   19.368   7.1708   2.8383   2.8912   1.8009   4.0337   3.9343   4.1461   19.448   8.0640   22.457   8.5296 -3.008814 11.73808 
1 1 1   12   22   12 o   26.474   6.9117   6.3271   2.9019   6.4921   4.1337   6.1668   4.0746   26.388   8.6511   25.829   8.5941 0.5586109 12.19430 
1 1 1   12   22   13 o   16.848   6.8408   1.5039   2.8260  -0.3886   4.0204   3.3523   3.9732   16.818   7.5019   21.157   8.2663 -4.338551 11.16286 
1 1 1   12   22   14 o   12.850   5.9806  -1.9506   2.9281  -4.4155   4.0475   0.7559   4.2412   13.650   6.5487   18.157   7.9160 -4.506977 10.27366 
1 1 1   12   22   15 o   33.047   5.7628   9.6902   2.8800   11.494   4.0958   7.9265   4.0504   34.535   7.7484   28.047   8.4826 6.488396 11.48875 
1 1 1   12   22   16 o   18.020   6.8994   2.6557   2.7266   1.2928   3.7834   4.1285   3.9329   17.427   7.5379   21.189   8.2398 -3.761238 11.16754 
1 1 1   12   22   17 o   32.848   5.6247   9.8975   2.7952   11.291   3.9405   8.4862   3.9658   33.060   7.7335   27.778   8.3918 5.282036 11.41181 
1 1 1   12   22   18 o   26.842   7.5444   7.7648   3.3093   3.6633   4.5429   12.402   4.8304   19.750   8.3948   32.013   9.1548 -12.26256 12.42105 
1 1 1   12   22   19 o   12.843   5.8650  -0.3924   2.6317  -1.1168   3.6849   0.3617   3.7599   14.079   6.6034   15.404   7.0253 -1.325054 9.641618 
1 1 1   12   22   20 o   12.868   5.8590  -0.1861   2.6015   1.6609   3.6024  -2.1992   3.7609   16.241   7.1804   13.263   6.3494 2.978165 9.585059 
1 1 1   12   22   21 o   13.277   5.9584   0.3821   2.5781  -4.6428   3.5401   6.0565   3.7619   11.322   5.5809   21.506   8.1348 -10.18377 9.865134 
1 1 1   12   22   22 o   10.960   5.2144  -1.3208   2.4550  -6.7922   3.4969   3.9965   3.4473   10.008   5.0278   17.641   7.3953 -7.633403 8.942570 
1 1 1   12   22   23 o   12.022   5.5302   0.3465   2.3979   1.8493   3.4301  -1.0899   3.3534   14.374   6.6131   12.101   5.8444 2.273686 8.825553 
1 1 1   12   23    0 o   11.365   7.9310  -4.3411   5.1550  -4.3411   5.1550  -4.3411   5.1550   11.365   7.9310   11.365   7.9310 0.000000 0.000000 
1 1 1   12   23    1 o   16.009   6.9853  -0.1400   3.3083   1.7328   4.7295  -1.9344   4.6295   20.775   8.6823   17.108   7.7997 3.667261 11.67129 
1 1 1   12   23    2 o   32.281   7.0001   9.1342   3.4438   5.6482   4.8923   12.558   4.8485   25.947   9.3718   37.194   8.4938 -11.24694 12.64815 
1 1 1   12   23    3 o   34.379   6.6703   10.255   3.4689   10.197   4.9950   10.309   4.8210   33.081   9.2584   33.371   9.0008 -0.2899742 12.91251 
1 1 1   12   23    4 o   13.064   6.1992  -3.6135   3.4249   4.8749   5.4345  -9.2060   4.4111   25.210   9.7178   12.352   6.1145 12.85788 11.48138 
1 1 1   12   23    5 o   41.152   5.1326   14.111   3.2428   11.848   4.5245   16.501   4.6502   36.123   8.1730   43.507   7.0521 -7.383949 10.79494 
1 1 1   12   23    6 o   20.659   7.5136   3.3209   3.1518   3.2859   4.4098   3.3574   4.5065   22.029   8.6782   22.234   8.7685 -0.2046776 12.33678 
1 1 1   12   23    7 o   36.243   5.9668   11.264   3.2757   7.2032   4.5691   15.558   4.6985   27.901   9.0921   41.840   7.4280 -13.93845 11.74061 
1 1 1   12   23    8 o   48.866   5.0625   19.922   3.8260   13.482   5.6711   25.301   5.1833   37.286   9.6262   54.370   6.1848 -17.08385 11.44184 
1 1 1   12   23    9 o   35.647   5.5287   10.849   2.9927   9.1345   4.2468   12.541   4.2181   31.115   8.4712   37.226   7.4802 -6.111078 11.30114 
1 1 1   12   23   10 o   17.778   7.0027   1.9954   2.8711   2.5358   4.0440   1.4462   4.0770   20.245   8.1967   18.950   7.9988 1.295536 11.45284 
1 1 1   12   23   11 o   19.902   7.3612   3.1599   3.0454   0.9869   4.3717   5.2085   4.2447   18.779   8.1125   24.082   8.7252 -5.303133 11.91394 
1 1 1   12   23   12 o   20.207   7.2229   3.4755   2.8974   4.5144   4.1207   2.4596   4.0749   22.728   8.5320   19.864   8.1576 2.863663 11.80423 
1 1 1   12   23   13 o   19.036   7.1432   2.9295   2.8878   4.8924   4.0991   0.9953   4.0690   23.025   8.5360   17.964   7.7935 5.061211 11.55861 
1 1 1   12   23   14 o   32.378   6.1304   9.5652   3.0009   12.649   4.3031   6.6452   4.1871   35.808   7.8724   25.349   8.7107 10.45930 11.74100 
1 1 1   12   23   15 o   14.200   6.3477  -0.1018   2.8953  -3.2110   4.1148   2.9470   4.0746   14.010   6.6893   19.426   8.0841 -5.416190 10.49279 
1 1 1   12   23   16 o   14.693   6.4313   0.6252   2.8237   3.8748   4.0250  -2.5241   3.9624   20.079   8.1598   13.935   6.6284 6.143821 10.51275 
1 1 1   12   23   17 o   16.937   6.8407   2.4370   2.8090  -1.0933   3.9906   5.9041   3.9547   14.709   6.8902   22.401   8.3688 -7.691963 10.84026 
1 1 1   12   23   18 o   16.904   7.0081   2.4805   3.0459  -1.5362   4.3458   6.3587   4.2702   14.646   6.9595   22.316   8.6110 -7.670384 11.07176 
1 1 1   12   23   19 o   21.996   7.4686   5.6620   3.0763   10.218   4.3974   1.2952   4.3052   27.612   8.9135   16.425   7.5011 11.18734 11.64981 
1 1 1   12   23   20 o   13.201   6.0870  -0.1676   2.9295   3.5446   4.2010  -3.6813   4.0872   17.987   7.8595   12.629   6.1786 5.358020 9.997339 
1 1 1   12   23   21 o   13.582   6.2111   0.7412   2.9645   8.4670   4.2870  -6.3383   4.1038   22.455   8.6374   11.073   5.5467 11.38128 10.26503 
1 1 1   12   23   22 o   13.946   6.2841   1.7591   2.9002  -4.5623   4.4645   6.3743   3.8148   11.687   5.8438   18.949   7.8482 -7.262258 9.784963 
1 1 1   12   24    0 o   13.913   8.6479   1.4340   3.7959   1.4340   3.7959   1.4340   3.7959   13.913   8.6479   13.913   8.6479 0.000000 0.000000 
1 1 1   12   24    1 o   15.886   6.6036   0.8909   2.7146  -0.0179   3.8380   1.8006   3.8399   17.095   7.4899   19.223   7.9091 -2.127518 10.89279 
1 1 1   12   24    2 o   14.844   6.3911   0.1885   2.6955   0.5844   3.8775  -0.1817   3.7498   17.818   7.6684   16.739   7.3664 1.078239 10.63333 
1 1 1   12   24    3 o   17.941   6.9535   2.0900   2.7937  -0.6252   3.9247   4.8789   3.9776   16.631   7.4155   23.851   8.4694 -7.220253 11.25703 
1 1 1   12   24    4 o   20.077   7.3147   3.1635   2.9889   1.7488   4.2101   4.6009   4.2440   19.661   8.2024   23.535   8.6927 -3.874083 11.95165 
1 1 1   12   24    5 o   12.733   5.9449  -2.2672   2.9301  -2.4608   4.1425  -2.0732   4.1452   15.432   7.1588   15.742   7.2524 -0.3101091 10.19045 
1 1 1   12   24    6 o   16.438   6.8387   1.0521   2.9148  -0.2113   4.1314   2.3043   4.1131   17.319   7.6718   20.089   8.2166 -2.769541 11.24136 
1 1 1   12   24    7 o   21.407   7.3958   3.9334   3.0198   0.0432   4.2935   7.7420   4.2482   17.806   7.8572   28.459   8.7036 -10.65289 11.72550 
1 1 1   12   24    8 o   21.967   7.8062   4.1659   3.3796   8.9549   4.8769  -0.2587   4.6876   30.050   9.3492   18.115   8.0889 11.93518 12.36282 
1 1 1   12   24    9 o   21.320   7.2519   4.0085   2.9005   3.6625   4.2440   4.3118   3.9733   21.716   8.5260   22.444   8.3877 -0.7282009 11.96018 
1 1 1   12   24   10 o   16.324   6.7155   1.3334   2.7678  -1.1174   3.8602   3.9265   3.9707   15.654   7.1313   21.685   8.3201 -6.031132 10.95804 
1 1 1   12   24   11 o   23.010   7.3364   4.9829   2.9856   4.1432   4.4186   5.6883   4.0500   22.075   8.6897   24.219   8.5513 -2.144558 12.19162 
1 1 1   12   24   12 o   20.586   7.0098   3.9125   2.7102  -0.3749   3.7482   8.6098   3.9233   15.821   7.1351   29.082   8.2287 -13.26093 10.89135 
1 1 1   12   24   13 o   23.452   7.0173   5.4279   2.7828   8.8535   3.9407   2.0203   3.9303   28.900   8.2701   18.264   7.7871 10.63649 11.35928 
1 1 1   12   24   14 o   30.256   6.0437   8.6573   2.7691   4.5477   3.7909   13.358   4.0545   21.098   8.1206   36.355   7.3595 -15.25653 10.95937 
1 1 1   12   24   15 o   18.579   6.8572   3.3700   2.6402   3.7798   3.6709   2.9309   3.8000   19.507   7.8407   18.461   7.7534 1.045918 11.02684 
1 1 1   12   24   16 o   15.323   6.4690   1.5691   2.6673   8.1189   3.8181  -4.6749   3.7279   25.929   8.2996   11.927   5.8487 14.00203 10.15330 
1 1 1   12   24   17 o   11.460   5.4703  -2.0553   2.7484   1.5672   3.8307  -5.8982   3.9455   16.340   7.3031   11.617   5.7561 4.723028 9.298862 
1 1 1   12   24   18 o   10.180   4.9923  -3.7134   2.7167  -8.1062   3.8346   0.7135   3.8495   10.470   5.2605   15.362   7.0446 -4.892318 8.792061 
1 1 1   12   24   19 o   18.752   6.9805   4.1247   2.7466   2.6704   3.8541   5.6254   3.9152   16.748   7.4147   20.220   8.1077 -3.472534 10.98695 
1 1 1   12   24   20 o   12.673   5.7765   0.5109   2.5374  -2.5677   3.5688   3.6582   3.6084   11.826   5.7831   16.741   7.2999 -4.914230 9.313046 
1 1 1   12   24   21 o   11.826   5.5052   0.1754   2.4837   0.7930   3.5131  -0.4418   3.5118   13.350   6.3181   12.511   6.0270 0.8390932 8.731747 
1 1 1   12   25    0 o   23.345   10.157   6.7042   3.8550   6.7042   3.8550   6.7042   3.8550   23.345   10.157   23.345   10.157 0.000000 0.000000 
1 1 1   12   25    1 o   24.177   6.9639   5.2953   2.7855   4.4480   3.9940   6.0976   3.8867   22.865   8.4350   25.579   8.3888 -2.714218 11.89620 
1 1 1   12   25    2 o   29.470   6.3267   7.7197   2.8384   5.1432   3.9779   10.392   4.0514   23.945   8.4730   33.358   7.8678 -9.413368 11.56258 
1 1 1   12   25    3 o   28.976   6.3454   7.4846   2.8053   5.7206   3.9397   9.2989   3.9955   24.865   8.4518   31.352   8.0726 -6.486017 11.68757 
1 1 1   12   25    4 o   15.211   6.5367   0.4001   2.8095  -1.1193   3.9527   1.9515   3.9941   15.987   7.2569   19.292   8.0139 -3.304210 10.81134 
1 1 1   12   25    5 o   26.004   6.8287   6.1850   2.8218   3.6879   4.0128   8.6275   3.9688   21.566   8.3405   29.971   8.2016 -8.404575 11.69742 
1 1 1   12   25    6 o   13.236   6.0428  -1.1919   2.7910  -2.3324   3.8977   0.0081   3.9983   14.774   6.8841   17.019   7.5426 -2.245211 10.21183 
1 1 1   12   25    7 o   12.899   5.9558  -1.5591   2.8179  -5.9382   3.9913   2.7925   3.9788   12.633   6.1643   20.084   8.1308 -7.450769 10.20335 
1 1 1   12   25    8 o   11.298   5.4636  -3.9544   2.9534  -2.9773   4.4949  -4.6967   3.9178   15.337   7.2247   13.107   6.3273 2.230059 9.603674 
1 1 1   12   25    9 o   20.621   7.1052   3.8732   2.7864   2.6823   3.9168   5.0936   3.9649   19.572   8.0131   23.069   8.4217 -3.496758 11.62477 
1 1 1   12   25   10 o   19.617   7.0616   3.4709   2.7748   2.5873   3.8961   4.3805   3.9529   19.163   7.9337   21.649   8.3027 -2.485970 11.48385 
1 1 1   12   25   11 o   14.495   6.4390   0.1033   2.9308  -1.1604   4.3113   1.1890   3.9963   15.753   7.3061   17.366   7.6247 -1.612992 10.56008 
1 1 1   12   25   12 o   19.447   7.2053   3.6420   2.9200   1.7911   4.1019   5.5437   4.1577   17.814   7.7753   22.511   8.5435 -4.696543 11.55198 
1 1 1   12   25   13 o   24.992   7.2970   6.6580   3.0395   3.6354   4.1311   10.225   4.4880   19.502   8.1297   29.021   8.9587 -9.518782 12.09756 
1 1 1   12   25   14 o   18.977   7.3533   3.7234   3.1236   5.2073   4.4293   2.2553   4.4057   20.995   8.5495   17.807   7.9033 3.188158 11.64289 
1 1 1   12   25   15 o   13.483   6.1632  -0.1611   2.9151  -1.5571   4.0530   1.3352   4.1960   14.142   6.7203   16.504   7.4857 -2.361850 10.05974 
1 1 1   12   25   16 o   9.9098   4.9005  -4.5981   2.8070  -4.4486   3.9454  -4.7514   3.9945   12.194   5.9873   12.130   5.9693 0.6437683E-01 8.454539 
1 1 1   12   25   17 o   17.438   6.8745   3.2568   2.7691   1.5128   3.8905   5.0474   3.9421   15.901   7.2106   19.773   8.0605 -3.872155 10.81505 
1 1 1   12   25   18 o   8.9931   4.4942  -5.1597   2.6231  -0.5303   3.7915  -9.4099   3.6329   13.713   6.5114   9.4470   4.7905 4.265623 8.083756 
1 1 1   12   25   19 o   9.5375   4.7091  -3.3326   2.5569   2.1383   3.6684  -8.5018   3.5659   14.905   6.8505   9.3293   4.7324 5.575460 8.326153 
1 1 1   12   25   20 o   10.487   5.1599  -2.5578   2.9815  -3.3650   4.2326  -1.7626   4.2006   11.662   5.8092   12.296   6.0645 -0.6341982 8.397945 
1 1 1   12   26    0 f   14.152   8.8379   1.6943   4.0128   1.6943   4.0128   1.6943   4.0128   14.152   8.8379   14.152   8.8379 0.000000 0.000000 
1 1 1   12   26    1 o   19.335   7.0604   3.1247   2.7870   4.6521   3.9529   1.6149   3.9301   22.652   8.3852   18.491   7.8316 4.161486 11.47365 
1 1 1   12   26    2 o   21.241   7.1181   4.0969   2.7944   6.6592   3.9771   1.5987   3.9271   25.957   8.4842   18.448   7.8217 7.509230 11.53956 
1 1 1   12   26    3 o   29.144   6.5238   7.8000   2.9092   7.9227   4.1699   7.6837   4.0606   28.011   8.6335   27.667   8.5182 0.3438454 12.12831 
1 1 1   12   26    4 o   24.174   7.0118   5.5151   2.8148   7.3261   4.0497   3.8225   3.9153   26.938   8.5392   21.231   8.2310 5.707554 11.86031 
1 1 1   12   26    5 o   21.064   7.3717   4.0648   3.0050   2.4476   4.2491   5.6829   4.2504   19.648   8.2218   24.029   8.7275 -4.380514 11.99025 
1 1 1   12   26    6 o   15.548   6.7447   0.5787   3.0471   2.7680   4.3563  -1.5187   4.2637   19.979   8.3399   15.755   7.2926 4.223792 11.07863 
1 1 1   12   26    7 o   14.196   6.3839  -0.3809   2.9762   0.1499   4.2201  -0.9062   4.1981   16.921   7.6062   15.983   7.3394 0.9384766 10.56980 
1 1 1   12   26    8 o   12.460   5.9411  -2.8436   3.2233  -8.6770   4.9319   1.5063   4.2588   12.830   6.3708   18.026   7.8940 -5.196415 10.14412 
1 1 1   12   26    9 o   12.188   5.7546  -2.0530   2.8817  -2.6459   4.0376  -1.4374   4.1142   14.093   6.6999   15.066   7.0375 -0.9731207 9.716741 
1 1 1   12   26   10 o   11.667   5.5992  -2.8577   2.9642  -3.2244   4.2296  -2.5038   4.1553   13.903   6.6762   14.223   6.7717 -0.3205557 9.509330 
1 1 1   12   26   11 o   14.209   6.4964  -0.2896   3.2407  -2.8197   4.9452   1.6146   4.2902   14.991   7.2039   17.355   7.7448 -2.364159 10.57724 
1 1 1   12   26   12 o   19.740   7.2255   4.1888   2.9214   7.7065   4.1258   0.6515   4.1373   24.680   8.6377   16.073   7.3452 8.607710 11.33849 
1 1 1   12   26   13 o   14.063   6.3128   0.4454   2.8956  -2.2242   4.1053   3.0885   4.0849   13.769   6.6029   18.077   7.8256 -4.307794 10.23910 
1 1 1   12   26   14 o   14.428   6.3891   0.9301   2.8630  -3.9969   4.0275   5.9634   4.0707   12.537   6.1334   21.309   8.3549 -8.772178 10.36451 
1 1 1   12   26   15 o   17.594   6.9961   3.3244   2.8909  -1.6096   4.0833   8.2830   4.0935   13.818   6.6154   24.420   8.5993 -10.60232 10.84953 
1 1 1   12   26   16 o   18.386   6.9616   3.9798   2.7566   4.1743   4.0220   3.8075   3.7856   18.256   7.8327   17.858   7.6290 0.3981819 10.93399 
1 1 1   12   26   17 o   11.815   5.5445  -0.4906   2.6036   2.0096   3.6529  -3.0721   3.7118   15.167   6.9200   11.799   5.7959 3.367761 9.026527 
1 1 1   12   26   18 o   10.953   5.2449  -1.0210   2.5696   0.7254   3.6178  -2.7990   3.6504   13.437   6.3749   11.426   5.6386 2.011748 8.510752 
1 1 1   12   27    0 o   13.577   9.1641  -0.5082   5.6773  -0.5082   5.6773  -0.5082   5.6773   13.577   9.1641   13.577   9.1641 0.000000 0.000000 
1 1 1   12   27    1 o   14.654   6.7619  -1.1665   3.6243  -1.4857   5.2226  -0.8699   5.0338   16.950   7.9212   17.115   7.9228 -0.1655464 11.20343 
1 1 1   12   27    2 o   20.763   7.6992   4.1353   3.3353   1.4057   4.7048   6.8929   4.7288   18.481   8.1866   24.883   9.1784 -6.401638 12.29890 
1 1 1   12   27    3 o   14.131   6.4220  -0.5576   3.1070   0.3555   4.4751  -1.4074   4.3172   17.193   7.7711   15.565   7.2502 1.627891 10.62806 
1 1 1   12   27    4 o   15.078   6.6498   0.4453   3.0716   1.3386   4.3286  -0.4607   4.3592   17.799   7.8701   16.268   7.4736 1.531422 10.85327 
1 1 1   12   27    5 o   14.408   6.4830  -0.0991   3.0742   1.4380   4.3622  -1.6159   4.3332   17.801   7.8842   15.264   7.1599 2.536272 10.65010 
1 1 1   12   27    6 o   15.597   6.8378   0.8646   3.2034   0.8992   4.7446   0.8356   4.3426   17.581   7.9685   17.081   7.6936 0.4998722 11.07648 
1 1 1   12   27    7 o   15.466   6.7250   1.0630   3.0440   3.2765   4.3300  -1.0999   4.2801   19.276   8.1945   15.293   7.1548 3.982988 10.87844 
1 1 1   12   27    8 f   12.929   6.1106  -1.8266   3.2650  -7.6442   4.9931   2.5194   4.3156   12.875   6.3960   18.215   7.9624 -5.340527 10.21316 
1 1 1   12   27    9 o   19.198   7.3250   3.8737   3.0664   6.1548   4.3239   1.5656   4.3493   22.223   8.6403   17.107   7.7029 5.116634 11.57543 
1 1 1   12   27   10 o   22.308   7.4667   5.7134   3.0749   6.1294   4.3239   5.2878   4.3737   21.821   8.5942   20.721   8.4738 1.099987 12.06919 
1 1 1   12   27   11 o   17.571   7.4333   2.9788   3.5336   3.8410   4.9547   2.0863   5.0410   18.918   8.3896   17.531   8.0475 1.387400 11.62531 
1 1 1   12   27   12 o   15.195   6.6022   1.5515   2.9290   2.3924   4.1198   0.6920   4.1651   17.042   7.5983   15.612   7.2197 1.430169 10.48133 
1 1 1   12   27   13 o   11.586   5.5702  -2.2271   2.9645  -3.0020   4.2269  -1.4770   4.1587   13.177   6.4103   13.950   6.6779 -0.7730255 9.256697 
1 1 1   12   27   14 o   12.857   6.0615  -0.8122   3.1766   1.0745   4.4484  -2.7754   4.5375   15.657   7.3150   13.473   6.5738 2.183875 9.834867 
1 1 1   12   27   15 o   17.337   7.0515   3.7900   3.0089   6.4886   4.3997   1.4188   4.1241   19.757   8.3228   15.102   7.0514 4.655336 10.90837 
1 1 1   12   27   16 o   13.494   6.1817   1.2235   2.9537   4.0482   4.3244  -1.2468   4.0440   16.309   7.4743   12.731   6.2103 3.578148 9.717727 
1 1 1   12   27   17 o   17.255   7.2157   5.0427   3.2695   6.4164   4.8310   3.8818   4.4411   17.021   7.8371   15.400   7.2314 1.621281 10.66366 
1 1 1   12   28    0 o   8.1599   5.9082  -6.5314   4.0300  -6.5314   4.0300  -6.5314   4.0300   8.1599   5.9082   8.1599   5.9082 0.000000 0.000000 
1 1 1   12   28    1 o   19.033   7.1473   3.6436   2.8922   4.7483   4.1301   2.5807   4.0513   20.761   8.3263   18.127   7.8203 2.633156 11.42300 
1 1 1   12   28    2 o   20.019   7.2449   4.2106   2.9255   0.2824   4.1294   8.1691   4.1453   15.972   7.3139   25.848   8.6697 -9.876487 11.34269 
1 1 1   12   28    3 f   14.825   6.5255   0.8140   2.9440   2.1319   4.1095  -0.5755   4.2196   17.580   7.7248   15.355   7.1576 2.224395 10.53104 
1 1 1   12   28    4 o   14.776   6.4597   0.9481   2.8411   0.4964   3.9878   1.4138   4.0488   15.844   7.2294   16.735   7.4920 -0.8916922 10.41127 
1 1 1   12   28    5 o   17.106   6.9891   2.6167   2.9720   8.2703   4.2298  -2.8962   4.1769   25.379   8.7537   13.626   6.5664 11.75369 10.94281 
1 1 1   12   28    6 o   14.758   6.6928   0.4142   3.3528  -3.1939   4.6800   4.2189   4.8058   14.089   6.8287   19.556   8.4771 -5.467175 10.88545 
1 1 1   12   28    7 o   15.343   6.6766   1.4554   3.0053  -2.1033   4.1304   5.4591   4.3810   13.838   6.6325   20.727   8.4791 -6.889326 10.76504 
1 1 1   12   28    8 o   12.499   6.0542  -2.9959   3.6635  -3.6573   5.3164  -2.3978   5.0556   14.421   7.0532   14.723   7.1269 -0.3027382 10.02692 
1 1 1   12   28    9 o   16.056   7.0118   1.9817   3.3396  -2.0791   4.7249   6.0358   4.7210   14.395   6.9488   20.787   8.6799 -6.391789 11.11877 
1 1 1   12   28   10 o   15.805   6.9344   1.8859   3.3001   4.9470   4.6234  -1.2935   4.7119   19.451   8.3725   14.704   7.0572 4.747330 10.94998 
1 1 1   12   28   11 o   14.108   6.5334   0.1710   3.4288  -1.0944   4.8018   1.4876   4.8978   14.744   7.0888   16.391   7.6638 -1.647622 10.43954 
1 1 1   12   28   12 o   14.092   6.3572   0.9368   2.9781  -0.2996   4.1690   2.2250   4.2557   14.349   6.8178   16.266   7.4398 -1.917150 10.09124 
1 1 1   12   28   13 o   12.412   5.8345  -0.3827   2.9041   3.2039   4.1394  -3.8595   4.0755   16.450   7.4507   11.959   5.9122 4.490729 9.511436 
1 1 1   12   28   14 o   11.033   5.3294  -1.5011   2.7912  -2.6128   3.8697  -0.2955   4.0299   11.865   5.8460   13.225   6.3923 -1.360012 8.662348 
1 1 1   12   28   15 o   16.315   6.7277   3.9584   2.7865   5.5081   3.8888   2.3232   3.9946   17.103   7.5148   14.347   6.7743 2.755564 10.11752 
1 1 1   12   29    0 o   17.744   10.361   5.6432   4.7975   5.6432   4.7975   5.6432   4.7975   17.744   10.361   17.744   10.361 0.000000 0.000000 
1 1 1   12   29    1 o   16.509   7.2923   2.0508   3.7071   1.2083   5.1962   2.9240   5.2903   16.880   7.8928   18.122   8.2908 -1.241547 11.44697 
1 1 1   12   29    2 o   10.904   5.4217  -5.9531   3.6181  -2.1886   5.1230  -9.6993   5.1105   14.842   7.1818   11.947   6.0122 2.895014 9.366158 
1 1 1   12   29    3 o   12.153   6.0343  -6.1035   4.4200  -0.7959   5.8540 -13.1413   6.7410   16.139   7.7767   12.983   6.5771 3.156366 10.18505 
1 1 1   12   29    4 o   15.285   6.9652   0.9327   3.6861  -0.1133   5.2596   1.9424   5.1675   15.968   7.6070   17.188   7.9810 -1.220303 11.02556 
1 1 1   12   29    5 o   17.496   7.2757   3.2324   3.2972   2.0029   4.6779   4.4464   4.6483   16.875   7.7487   18.987   8.2824 -2.111698 11.34197 
1 1 1   12   29    6 o   24.406   7.9944   7.6795   3.5303   5.9761   4.7534   9.7748   5.2719   20.407   8.6266   24.224   9.5050 -3.816563 12.83599 
1 1 1   12   29    7 o   28.903   7.2593   9.6644   3.2877   9.6542   4.7551   9.6737   4.5507   24.791   9.1931   25.257   9.0492 -0.4659538 12.89965 
1 1 1   12   29    8 o   11.404   5.5268  -2.6159   3.0641   2.8177   4.4883  -7.3585   4.1932   17.075   7.7436   11.130   5.5794 5.945313 9.544252 
1 1 1   12   29    9 o   13.255   6.1441   0.0075   3.0428   3.2754   4.3309  -3.1780   4.2760   17.172   7.7132   12.847   6.2922 4.324965 9.954169 
1 1 1   12   29   10 o   11.972   5.7057  -1.1728   2.9650   0.6072   4.1534  -3.0226   4.2340   14.629   6.9073   12.648   6.2084 1.980721 9.287354 
1 1 1   12   29   11 o   19.530   7.7466   6.0214   3.5360  -0.1934   5.0199   12.142   4.9816   14.254   6.9460   24.565   9.3450 -10.31071 11.64374 
1 1 1   12   29   12 o   14.740   6.4844   2.5821   2.9035   4.1007   4.1511   1.1276   4.0626   16.073   7.3500   13.897   6.6384 2.176243 9.904088 
1 1 1   12   29   13 o   13.609   6.1915   1.9276   2.8980   7.3509   4.1410  -3.2782   4.0571   18.479   7.9385   11.352   5.6599 7.127561 9.749545 
1 1 1   12   30    0 o   13.239   8.5277   2.2916   4.0871   2.2916   4.0871   2.2916   4.0871   13.239   8.5277   13.239   8.5277 0.000000 0.000000 
1 1 1   12   30    1 o   9.7768   4.8532  -4.7089   2.8529  -0.3075   4.0459  -9.0613   4.0233   14.324   6.7795   10.283   5.1943 4.041127 8.540658 
1 1 1   12   30    2 o   16.962   6.9428   3.1674   2.9393   2.9515   4.1665   3.3813   4.1473   16.975   7.5998   17.379   7.6929 -0.4034100 10.81379 
1 1 1   12   30    3 o   12.196   5.8212  -1.4693   3.1110  -3.5334   4.5987   0.2724   4.2244   13.115   6.4444   14.817   6.9870 -1.701357 9.505155 
1 1 1   12   30    4 o   11.222   5.4634  -2.8113   3.0864  -4.3081   4.3753  -1.3288   4.3545   12.444   6.1470   13.880   6.6929 -1.436139 9.087395 
1 1 1   12   30    5 o   9.8961   4.9424  -5.5589   3.1506  -4.0431   4.4853  -7.0352   4.4264   12.614   6.2297   11.408   5.7209 1.205973 8.458024 
1 1 1   12   30    6 o   17.718   7.2097   4.0390   3.1470   1.5826   4.4017   6.6074   4.5010   15.450   7.2371   19.915   8.4053 -4.465254 11.09165 
1 1 1   12   30    7 o   15.712   6.8172   2.7689   3.1143  -0.7161   4.3238   6.5258   4.4893   13.680   6.6144   19.313   8.2805 -5.632565 10.59803 
1 1 1   12   30    8 o   16.054   6.8666   3.3587   3.0735   0.4459   4.3281   6.3218   4.3654   13.988   6.7266   18.551   8.0601 -4.563112 10.49820 
1 1 1   12   30    9 o   22.115   7.4659   7.4386   3.0738   8.7947   4.3997   6.1456   4.2962   20.437   8.4431   17.754   7.8459 2.682798 11.52583 
1 1 1   12   30   10 o   13.135   6.0437   1.4318   2.8664   5.3705   4.0910  -2.3666   4.0175   16.634   7.4820   11.712   5.8043 4.921956 9.469479 
1 1 1   12   30   11 o   10.156   5.0437  -3.0496   3.0944  -1.0704   4.2057  -5.3857   4.5693   12.194   6.0241   10.974   5.5426 1.219791 8.185994 
1 1 1   12   31    0 o   8.7355   6.2625  -3.5153   4.0374  -3.5153   4.0374  -3.5153   4.0374   8.7355   6.2625   8.7355   6.2625 0.000000 0.000000 
1 1 1   12   31    1 o   14.251   6.3650   1.9392   2.9040   5.0398   4.1265  -1.1031   4.0874   17.338   7.6742   12.882   6.2750 4.456042 9.913079 
1 1 1   12   31    2 o   18.928   7.1850   5.3147   2.9409   3.7929   4.0946   6.9362   4.2267   16.094   7.3366   19.086   8.1043 -2.992361 10.93181 
1 1 1   12   31    3 o   11.796   5.6347  -0.6055   2.9274  -1.9413   4.2014   0.6549   4.0811   12.420   6.1141   13.693   6.5708 -1.272302 8.975416 
1 1 1   12   31    4 o   11.263   5.4305  -1.0975   2.8658  -2.0035   4.0137  -0.1554   4.0930   12.090   5.9563   13.083   6.3515 -0.9925022 8.707440 
1 1 1   12   31    5 o   8.6284   4.3550  -5.8831   2.7938  -6.7969   3.8535  -4.8705   4.0563   9.9941   5.0527   10.872   5.4557 -0.8782845 7.436028 
1 1 1   12   31    6 o   11.458   5.4983  -0.4931   2.8568   4.5328   4.0777  -5.3380   4.0036   15.808   7.2498   10.542   5.3074 5.265856 8.984866 
1 1 1   12   31    7 o   12.519   5.8469   1.0404   2.8383   1.3484   3.9872   0.7240   4.0412   13.307   6.4135   12.976   6.3023 0.3310804 8.991781 
1 1 1   12   31    8 o   14.990   6.4922   3.4855   2.8140   7.5620   4.0228  -0.4205   3.9378   18.108   7.8022   12.178   5.9798 5.929585 9.830188 
1 1 1   12   32    0 o   10.069   7.1339  -0.5251   4.6868  -0.5251   4.6868  -0.5251   4.6868   10.069   7.1339   10.069   7.1339 0.000000 0.000000 
1 1 1   12   32    1 o   12.459   5.9482   0.9572   3.2521   1.1098   4.5154   0.7927   4.6878   13.043   6.4043   12.956   6.3932 0.8710289E-01 9.049217 
1 1 1   12   32    2 o   24.225   7.8826   10.475   3.4350   8.0462   4.8130   12.996   4.9040   16.965   7.8155   21.278   8.8629 -4.312994 11.81664 
1 1 1   13    0    1 o   64.637   3.5853   33.091   3.6110   33.091   3.6110   33.091   3.6110   64.637   3.5853   64.637   3.5853 0.000000 0.000000 
1 1 1   13    0    2 o  603.436   4.0383  2858.40   38.238  2858.40   38.238  2858.40   38.238  603.436   4.0383  603.436   4.0383 0.000000 0.000000 
1 1 1   13    0    3 o  186.869   2.4009  274.165   7.0382  274.165   7.0382  274.165   7.0382  186.869   2.4009  186.869   2.4009 0.000000 0.000000 
1 1 1   13    0    4 o   96.811   2.6932   73.722   4.0846   73.722   4.0846   73.722   4.0846   96.811   2.6932   96.811   2.6932 0.000000 0.000000 
1 1 1   13    0    5 o  193.017   2.3854  292.496   7.2230  292.496   7.2230  292.496   7.2230  193.017   2.3854  193.017   2.3854 0.000000 0.000000 
1 1 1   13    0    6 o  129.592   2.5065  131.942   5.0931  131.942   5.0931  131.942   5.0931  129.592   2.5065  129.592   2.5065 0.000000 0.000000 
1 1 1   13    0    7 o  324.929   2.3660  828.669   12.063  828.669   12.063  828.669   12.063  324.929   2.3660  324.929   2.3660 0.000000 0.000000 
1 1 1   13    0    8 o   82.583   2.7630   53.703   3.5717   53.703   3.5717   53.703   3.5717   82.583   2.7630   82.583   2.7630 0.000000 0.000000 
1 1 1   13    0    9 o  105.114   2.8810   86.916   4.7442   86.916   4.7442   86.916   4.7442  105.114   2.8810  105.114   2.8810 0.000000 0.000000 
1 1 1   13    0   10 o  188.887   2.3627  280.153   7.0011  280.153   7.0011  280.153   7.0011  188.887   2.3627  188.887   2.3627 0.000000 0.000000 
1 1 1   13    0   11 o   87.447   2.4270   60.162   3.3249   60.162   3.3249   60.162   3.3249   87.447   2.4270   87.447   2.4270 0.000000 0.000000 
1 1 1   13    0   12 o  190.455   2.0455  284.816   6.1121  284.816   6.1121  284.816   6.1121  190.455   2.0455  190.455   2.0455 0.000000 0.000000 
1 1 1   13    0   13 o  298.772   2.2748  700.925   10.665  700.925   10.665  700.925   10.665  298.772   2.2748  298.772   2.2748 0.000000 0.000000 
1 1 1   13    0   14 o   41.657   3.9516   14.006   2.5266   14.006   2.5266   14.006   2.5266   41.657   3.9516   41.657   3.9516 0.000000 0.000000 
1 1 1   13    0   15 o   60.184   2.9549   28.663   2.7754   28.663   2.7754   28.663   2.7754   60.184   2.9549   60.184   2.9549 0.000000 0.000000 
1 1 1   13    0   16 o  134.304   2.0872  141.748   4.3967  141.748   4.3967  141.748   4.3967  134.304   2.0872  134.304   2.0872 0.000000 0.000000 
1 1 1   13    0   17 o   7.2107   5.0800  -2.6228   2.2686  -2.6228   2.2686  -2.6228   2.2686   7.2107   5.0800   7.2107   5.0800 0.000000 0.000000 
1 1 1   13    0   18 o   7.9159   5.4787  -1.8928   2.3292  -1.8928   2.3292  -1.8928   2.3292   7.9159   5.4787   7.9159   5.4787 0.000000 0.000000 
1 1 1   13    0   19 o   11.850   7.1200   1.1496   2.3854   1.1496   2.3854   1.1496   2.3854   11.850   7.1200   11.850   7.1200 0.000000 0.000000 
1 1 1   13    0   20 f   37.939   4.4224   11.826   2.5397   11.826   2.5397   11.826   2.5397   37.939   4.4224   37.939   4.4224 0.000000 0.000000 
1 1 1   13    0   21 o   23.165   8.6119   5.7838   2.9092   5.7838   2.9092   5.7838   2.9092   23.165   8.6119   23.165   8.6119 0.000000 0.000000 
1 1 1   13    0   22 o   74.076   2.6725   43.409   3.0975   43.409   3.0975   43.409   3.0975   74.076   2.6725   74.076   2.6725 0.000000 0.000000 
1 1 1   13    0   23 o   77.906   2.6622   48.034   3.2462   48.034   3.2462   48.034   3.2462   77.906   2.6622   77.906   2.6622 0.000000 0.000000 
1 1 1   13    0   24 o   15.168   8.3616   2.7168   2.8888   2.7168   2.8888   2.7168   2.8888   15.168   8.3616   15.168   8.3616 0.000000 0.000000 
1 1 1   13    0   25 o   8.0224   5.6590  -3.1492   2.8435  -3.1492   2.8435  -3.1492   2.8435   8.0224   5.6590   8.0224   5.6590 0.000000 0.000000 
1 1 1   13    0   26 o   8.1546   5.6206  -1.5942   2.3898  -1.5942   2.3898  -1.5942   2.3898   8.1546   5.6206   8.1546   5.6206 0.000000 0.000000 
1 1 1   13    0   27 o   20.468   8.2589   4.9449   2.5874   4.9449   2.5874   4.9449   2.5874   20.468   8.2589   20.468   8.2589 0.000000 0.000000 
1 1 1   13    0   28 o   16.744   8.1859   3.7063   2.5422   3.7063   2.5422   3.7063   2.5422   16.744   8.1859   16.744   8.1859 0.000000 0.000000 
1 1 1   13    0   29 o   34.065   5.1613   10.282   2.5719   10.282   2.5719   10.282   2.5719   34.065   5.1613   34.065   5.1613 0.000000 0.000000 
1 1 1   13    0   30 o   9.1769   6.0808  -0.0845   2.3035  -0.0845   2.3035  -0.0845   2.3035   9.1769   6.0808   9.1769   6.0808 0.000000 0.000000 
1 1 1   13    0   31 o   19.037   7.8487   4.7362   2.3228   4.7362   2.3228   4.7362   2.3228   19.037   7.8487   19.037   7.8487 0.000000 0.000000 
1 1 1   13    1    0 o  102.597   3.3657   82.876   5.4058   82.876   5.4058   82.876   5.4058  102.597   3.3657  102.597   3.3657 0.000000 0.000000 
1 1 1   13    1    1 o  333.278   1.9521  871.660   10.210  861.912   14.322  881.732   14.558  331.387   2.7540  335.175   2.7678 -3.788055 3.904464 
1 1 1   13    1    2 o  539.506   2.6181  2284.42   22.166  2284.93   31.353  2283.92   31.342  539.500   3.7032  539.380   3.7028 0.1193848 5.236856 
1 1 1   13    1    3 o  924.975   4.1039  6717.58   59.570  6714.58   84.205  6720.58   84.286  924.474   5.8041  924.887   5.8071 -0.4124756 8.210358 
1 1 1   13    1    4 o  318.402   1.9087  795.596   9.5371  809.927   13.648  781.923   13.332  321.233   2.7074  315.631   2.6916 5.601837 3.817698 
1 1 1   13    1    5 o  114.079   1.8079  102.129   3.2365  106.214   4.6108   98.162   4.5442  116.330   2.5257  111.833   2.5893 4.497093 3.617090 
1 1 1   13    1    6 o  336.392   1.9630  888.057   10.363  900.156   14.769  876.326   14.544  338.647   2.7791  334.135   2.7736 4.512360 3.926382 
1 1 1   13    1    7 o   71.714   2.1298   40.398   2.3942   41.230   3.3967   39.576   3.3753   72.411   2.9956   70.939   3.0389 1.472130 4.267178 
1 1 1   13    1    8 o   58.191   2.2982   26.620   2.0946   27.955   2.9736   25.305   2.9510   59.586   3.1917   56.673   3.3328 2.912983 4.614613 
1 1 1   13    1    9 o  267.469   1.5510  561.435   6.5101  561.931   9.2157  560.942   9.1977  267.564   2.1948  267.329   2.1924 0.2355957 3.102244 
1 1 1   13    1   10 o  136.566   1.4779  146.369   3.1674  148.619   4.5168  144.192   4.4428  137.598   2.0918  135.533   2.0888 2.064606 2.956148 
1 1 1   13    1   11 o  116.860   1.9572  107.205   3.5894  107.540   5.6855  106.982   4.6283  116.960   3.1003  116.720   2.5268 0.2396317 3.999600 
1 1 1   13    1   12 o   42.733   2.7554   14.407   1.8379   13.147   2.5968   15.671   2.6017   40.668   4.1259   44.478   3.7627 -3.810131 5.583990 
1 1 1   13    1   13 o   91.472   1.6798   65.692   2.4113   63.515   3.4055   67.882   3.4148   89.882   2.4165   92.928   2.3435 -3.045853 3.366230 
1 1 1   13    1   14 o  128.621   1.4758  129.880   2.9788  127.288   4.2057  132.490   4.2197  127.295   2.1053  129.872   2.0704 -2.577469 2.952818 
1 1 1   13    1   15 o  135.269   1.4635  143.667   3.1067  143.381   4.3936  143.954   4.3934  135.090   2.0725  135.359   2.0682 -0.2696838 2.927927 
1 1 1   13    1   16 o  123.491   1.5034  119.759   2.9135  119.670   4.0966  119.850   4.1446  123.394   2.1155  123.485   2.1388 -0.9063721E-01 3.008279 
1 1 1   13    1   17 o   21.618   5.0551   3.8554   1.6841   5.3032   2.3874   2.4212   2.3761   25.294   6.0882   18.553   6.5501 6.740437 8.942611 
1 1 1   13    1   18 o   82.856   1.7502   53.953   2.2758   53.874   3.2290   54.030   3.2079   82.691   2.4911   82.813   2.4712 -0.1219940 3.508925 
1 1 1   13    1   19 o  107.058   1.5749   90.070   2.6460   90.791   3.7453   89.353   3.7387  107.404   2.2221  106.548   2.2360 0.8561707 3.152361 
1 1 1   13    1   20 o   51.016   2.4102   20.559   1.9241   19.808   2.7179   21.314   2.7244   49.888   3.4937   51.783   3.3709 -1.895203 4.854744 
1 1 1   13    1   21 o   63.956   2.4166   32.325   2.4210   32.386   3.4413   32.265   3.4067   63.782   3.4509   63.670   3.4221 0.1120949 4.859981 
1 1 1   13    1   22 o   75.682   1.9036   45.169   2.2591   45.779   3.1423   44.517   3.2501   76.017   2.6381   74.925   2.7689 1.092339 3.824417 
1 1 1   13    1   23 o   19.033   5.8273   3.0104   1.9037   4.7611   2.7166   1.3214   2.6684   23.539   6.9057   16.668   6.6900 6.871033 9.614841 
1 1 1   13    1   24 o   53.756   2.5764   22.986   2.1671   19.537   3.0381   26.558   3.0921   49.083   3.9783   57.494   3.4428 -8.410641 5.261216 
1 1 1   13    1   25 o   21.825   5.7322   4.1323   1.9881   5.7514   2.8868   2.6715   2.7421   25.380   7.0145   18.924   6.9876 6.455919 9.901023 
1 1 1   13    1   26 o   20.203   5.7119   3.5781   1.8912   1.1725   2.6754   5.9805   2.6736   16.044   6.6015   25.731   6.5922 -9.687729 9.329339 
1 1 1   13    1   27 o   27.743   4.3374   6.5632   1.8266   5.7185   2.6037   7.3818   2.5632   24.691   6.5949   28.554   5.9148 -3.863565 8.858748 
1 1 1   13    1   28 o   29.584   4.0380   7.4818   1.8258   7.7322   2.5883   7.2337   2.5759   28.810   5.9229   27.715   6.0891 1.094536 8.494563 
1 1 1   13    1   29 o   11.449   5.0042   0.1052   1.7042  -0.0648   2.4578   0.2627   2.3651   13.068   5.8447   13.282   5.8474 -0.2143402 8.267570 
1 1 1   13    1   30 o   9.5559   4.4429  -0.9623   1.6096   0.5932   2.3079  -2.4352   2.2459   13.412   5.8436   10.038   4.8318 3.374304 7.582471 
1 1 1   13    1   31 o   10.806   4.7618   0.2085   1.5718  -0.7766   2.2474   1.1517   2.1991   11.169   5.2120   13.459   5.7835 -2.289907 7.785522 
1 1 1   13    2    0 o  328.417   2.5308  846.553   13.042  846.553   13.042  846.553   13.042  328.417   2.5308  328.417   2.5308 0.000000 0.000000 
1 1 1   13    2    1 o  210.522   1.4826  347.780   4.8980  350.308   6.9459  345.280   6.9080  211.277   2.0949  209.755   2.0986 1.521881 2.965292 
1 1 1   13    2    2 o  903.818   4.0193  6413.56   57.008  6399.95   80.454  6427.29   80.791  902.588   5.6800  904.512   5.6917 -1.924194 8.041028 
1 1 1   13    2    3 o  233.823   1.7253  429.044   6.3308  437.708   9.0413  420.709   8.8676  236.158   2.4396  231.527   2.4406 4.631134 3.450819 
1 1 1   13    2    4 o  550.488   2.6609  2378.49   22.987  2392.42   32.688  2364.86   32.331  552.015   3.7733  548.828   3.7539 3.186890 5.322577 
1 1 1   13    2    5 f  194.277   1.6857  296.190   5.1394  299.714   7.3044  292.736   7.2325  195.417   2.3819  193.128   2.3863 2.288361 3.371626 
1 1 1   13    2    6 o  376.913   2.1760  1114.93   12.871  1115.35   17.442  1114.43   19.072  376.951   2.9485  376.781   3.2255 0.1691895 4.370024 
1 1 1   13    2    7 o  493.309   2.2788  1909.98   17.641  1916.42   25.028  1903.61   24.869  494.076   3.2280  492.423   3.2182 1.652863 4.558140 
1 1 1   13    2    8 o  468.851   2.1972  1725.34   16.166  1741.35   23.065  1709.87   22.666  470.952   3.1208  466.678   3.0949 4.273834 4.395183 
1 1 1   13    2    9 o  279.340   1.8138  612.420   7.9512  617.841   12.367  608.600   10.381  280.525   2.8091  278.443   2.3758 2.082489 3.679109 
1 1 1   13    2   10 o  288.311   1.5894  652.389   7.1913  660.972   10.250  644.068   10.092  290.166   2.2509  286.432   2.2452 3.734009 3.179218 
1 1 1   13    2   11 o  120.882   1.5285  114.692   2.8996  113.885   4.1000  115.499   4.1013  120.438   2.1693  121.289   2.1547 -0.8513260 3.057569 
1 1 1   13    2   12 o  202.296   1.4529  321.228   4.6126  326.809   6.5731  315.815   6.4743  204.008   2.0531  200.546   2.0572 3.461182 2.906430 
1 1 1   13    2   13 f  258.225   1.5274  523.473   6.1894  520.006   8.7221  526.991   8.7845  257.303   2.1601  259.025   2.1611 -1.722168 3.055514 
1 1 1   13    2   14 o   98.384   1.6012   76.000   2.4722   72.593   3.4746   79.494   3.5182   96.119   2.3035  100.588   2.2287 -4.469910 3.205242 
1 1 1   13    2   15 o   61.532   2.0466   29.780   1.9735   28.658   2.7795   30.919   2.8025   60.282   2.9471   62.629   2.8590 -2.347229 4.105992 
1 1 1   13    2   16 o  110.644   1.5477   96.145   2.6873   94.933   3.7884   97.372   3.8125  109.894   2.1967  111.298   2.1828 -1.404236 3.096775 
1 1 1   13    2   17 o  116.876   1.5355  107.297   2.8163  105.404   3.9441  109.266   4.0227  115.779   2.1708  117.880   2.1745 -2.101456 3.072592 
1 1 1   13    2   18 o   51.083   2.3717   20.580   1.8961   22.520   2.6820   18.642   2.6810   53.332   3.2196   48.454   3.5505 4.878204 4.792883 
1 1 1   13    2   19 o   52.665   2.4031   21.887   1.9809   21.448   2.7394   22.368   2.8678   51.989   3.3759   53.082   3.4615 -1.093204 4.835218 
1 1 1   13    2   20 o   54.760   2.3304   23.673   1.9980   26.626   2.8247   20.716   2.8265   57.946   3.1178   51.006   3.5534 6.939960 4.727256 
1 1 1   13    2   21 f   48.681   2.9504   18.824   2.2434   22.589   3.2443   15.374   3.1056   53.109   3.9202   43.575   4.6114 9.534435 6.052548 
1 1 1   13    2   22 o   82.610   1.8167   53.765   2.3551   54.803   3.3467   52.747   3.3148   83.197   2.5664   81.612   2.5915 1.584778 3.647210 
1 1 1   13    2   23 o   67.083   2.1809   35.596   2.2929   35.833   3.2747   35.368   3.2114   67.025   3.1219   66.603   3.0809 0.4223862 4.386134 
1 1 1   13    2   24 o   55.041   2.5627   24.095   2.2075   27.287   3.1749   21.108   3.0714   58.254   3.4889   51.069   3.8610 7.185623 5.203820 
1 1 1   13    2   25 f   41.485   2.9741   13.820   1.9234   12.085   2.6887   15.639   2.7525   38.181   4.5785   43.730   4.0572 -5.548683 6.117491 
1 1 1   13    2   26 o   43.701   3.0167   15.411   2.0562   15.090   2.9456   15.716   2.8715   42.549   4.4785   43.552   4.2557 -1.002697 6.177995 
1 1 1   13    2   27 o   34.504   3.6824   9.8937   1.9631   10.949   2.8335   8.9192   2.7224   35.350   5.2684   31.570   5.7050 3.780231 7.765489 
1 1 1   13    2   28 o   12.035   5.2592   0.0889   1.8814   1.5096   2.6376  -1.3826   2.6845   15.781   6.5301   12.361   5.7439 3.420015 8.696795 
1 1 1   13    2   29 o   20.265   5.6521   3.9197   1.8650   4.3004   2.6872   3.5660   2.5905   20.532   6.9802   19.057   6.8275 1.475088 9.764145 
1 1 1   13    2   30 o   15.379   5.5764   2.1267   1.7343   0.8960   2.4731   3.3174   2.4326   14.105   6.0977   18.193   6.6033 -4.087670 8.988040 
1 1 1   13    2   31 o   27.477   4.2232   6.9425   1.7628   2.3745   2.4997   11.462   2.4864   15.600   6.3958   34.869   4.6604 -19.26951 7.913630 
1 1 1   13    3    0 o  268.222   2.1914  564.664   9.2226  564.664   9.2226  564.664   9.2226  268.222   2.1914  268.222   2.1914 0.000000 0.000000 
1 1 1   13    3    1 o  518.721   2.2069  2111.66   17.965  2117.54   25.475  2105.84   25.338  519.394   3.1255  517.958   3.1172 1.436096 4.414257 
1 1 1   13    3    2 o  273.391   1.5649  586.526   6.7139  590.712   9.5396  582.417   9.4508  274.352   2.2157  272.419   2.2107 1.933075 3.129933 
1 1 1   13    3    3 o  258.797   1.6461  525.586   6.6855  525.402   9.4543  525.770   9.4550  258.737   2.3284  258.828   2.3278 -0.9066772E-01 3.292460 
1 1 1   13    3    4 o  296.816   1.7278  691.366   8.0480  691.603   11.390  691.130   11.373  296.848   2.4451  296.747   2.4422 0.1012878 3.455812 
1 1 1   13    3    5 o  369.184   2.0569  1069.65   11.917  1051.89   16.631  1088.39   17.084  366.073   2.8950  372.369   2.9235 -6.296265 4.114320 
1 1 1   13    3    6 o  219.398   1.8937  377.756   6.5201  375.377   9.2079  380.149   9.2338  218.688   2.6830  220.073   2.6737 -1.385910 3.787774 
1 1 1   13    3    7 o  213.196   1.7155  356.699   5.7395  363.138   8.1718  350.431   8.0631  215.095   2.4209  211.298   2.4316 3.797211 3.431280 
1 1 1   13    3    8 o  279.137   1.6926  611.491   7.4144  607.895   10.468  615.111   10.503  278.289   2.3970  279.936   2.3908 -1.647064 3.385496 
1 1 1   13    3    9 o  378.390   2.0877  1123.85   12.397  1116.74   19.052  1129.07   16.327  377.100   3.2193  379.220   2.7434 -2.119385 4.229733 
1 1 1   13    3   10 o   97.805   1.7676   75.082   2.7130   76.404   3.8587   73.791   3.8152   98.614   2.4954   96.911   2.5107 1.702713 3.539872 
1 1 1   13    3   11 o  107.336   1.6760   90.436   2.8232   92.566   4.0527   88.428   3.9350  108.571   2.3786  106.117   2.3629 2.453911 3.352796 
1 1 1   13    3   12 o  145.955   1.5572  167.228   3.5667  168.644   5.0688  165.840   5.0199  146.538   2.2042  145.315   2.2013 1.223282 3.115132 
1 1 1   13    3   13 o  180.180   1.4898  254.863   4.2124  257.727   5.8111  251.691   6.1150  181.149   2.0442  179.004   2.1768 2.145462 2.986162 
1 1 1   13    3   14 f   24.023   5.0481   4.7287   1.8425   6.2724   2.6036   3.1799   2.6079   27.598   6.1669   20.586   6.8761 7.012274 9.236455 
1 1 1   13    3   15 o  112.392   1.5420   99.194   2.7197  106.285   3.8904   92.416   3.8035  116.300   2.1316  108.438   2.2351 7.861305 3.088569 
1 1 1   13    3   16 o   85.204   1.7214   57.030   2.3018   56.952   3.2425   57.109   3.2680   85.063   2.4315   85.179   2.4474 -0.1158447 3.449901 
1 1 1   13    3   17 o  166.619   1.5024  218.062   3.9284  216.242   5.3699  220.157   5.7620  165.845   2.0633  167.318   2.1944 -1.473175 3.012067 
1 1 1   13    3   18 o   24.732   4.7580   5.0171   1.7796   6.2524   2.4991   3.7462   2.5348   27.453   5.9712   21.626   6.7421 5.826515 9.006189 
1 1 1   13    3   19 o   75.089   1.8981   44.374   2.2349   47.116   3.1771   41.687   3.1445   77.273   2.6237   72.657   2.7629 4.616249 3.810192 
1 1 1   13    3   20 o   64.601   2.0843   32.897   2.1103   33.576   3.0163   32.245   2.9535   65.115   2.9596   63.810   2.9575 1.305805 4.183980 
1 1 1   13    3   21 o   53.379   2.5750   22.562   2.1506   20.575   3.2298   24.145   2.8826   50.611   4.1016   55.054   3.3524 -4.443237 5.297350 
1 1 1   13    3   22 o   32.112   3.7935   8.3454   1.8748   8.8205   2.6236   7.8497   2.6799   32.576   5.3152   30.535   5.8047 2.040955 7.870548 
1 1 1   13    3   23 o   41.609   3.1894   13.870   2.0667   10.024   2.9144   17.761   2.9312   34.570   5.5606   46.846   4.0262 -12.27599 6.865176 
1 1 1   13    3   24 o   33.564   4.0817   9.2226   2.1057   10.090   3.1864   8.5502   2.8057   34.297   6.1459   31.627   5.8690 2.669718 8.498108 
1 1 1   13    3   25 o   49.494   2.7636   19.593   2.1380   21.484   3.0749   17.824   2.9746   51.390   3.8406   46.665   4.1037 4.724831 5.620555 
1 1 1   13    3   26 o   43.699   3.0641   15.434   2.0880   12.690   2.9880   18.052   2.9189   38.648   5.0470   46.806   4.0125 -8.157310 6.447645 
1 1 1   13    3   27 f   25.240   5.1219   5.6359   1.9593   4.2650   2.8210   6.9135   2.7234   21.298   7.1521   27.187   6.4760 -5.889107 9.648417 
1 1 1   13    3   28 o   11.084   5.0616  -0.7591   1.9600   2.4883   2.8553  -3.6525   2.6952   17.557   6.9621   10.570   5.1368 6.987202 8.652042 
1 1 1   13    3   29 o   10.895   4.9862  -0.7141   1.9157  -2.7169   2.7828   1.0897   2.6411   11.309   5.4268   14.888   6.3665 -3.578391 8.365568 
1 1 1   13    3   30 o   15.984   5.6440   2.3847   1.7642   6.4931   2.5880  -1.1823   2.4114   25.034   6.5228   11.527   5.3856 13.50739 8.458802 
1 1 1   13    3   31 o   11.886   5.0929   0.7186   1.6961  -0.2324   2.4535   1.5891   2.3473   12.081   5.5707   14.207   6.0363 -2.126130 8.214007 
1 1 1   13    4    0 o   68.662   2.9281   37.200   3.1420   37.200   3.1420   37.200   3.1420   68.662   2.9281   68.662   2.9281 0.000000 0.000000 
1 1 1   13    4    1 o  243.560   1.5176  465.509   5.8004  467.751   8.2349  463.302   8.1716  244.134   2.1494  242.970   2.1431 1.163864 3.035288 
1 1 1   13    4    2 o  156.581   1.9678  192.409   4.8353  190.145   6.4542  195.305   7.2998  155.647   2.6424  157.739   2.9489 -2.092438 3.959597 
1 1 1   13    4    3 o  229.529   1.6688  413.432   6.0109  421.809   8.9484  406.544   8.1140  231.826   2.4597  227.597   2.2717 4.229095 3.348253 
1 1 1   13    4    4 o  280.947   1.5850  619.401   6.9881  622.170   9.9082  616.660   9.8574  281.559   2.2424  280.309   2.2409 1.249573 3.170176 
1 1 1   13    4    5 o  358.109   1.8807  1006.41   10.569  1009.08   14.970  1003.76   14.924  358.556   2.6605  357.608   2.6593 0.9476624 3.761683 
1 1 1   13    4    6 o  339.294   1.9825  903.472   10.556  912.793   15.022  894.380   14.837  341.006   2.8072  337.550   2.8009 3.456665 3.965478 
1 1 1   13    4    7 f   68.789   2.3085   37.182   2.4885   39.279   3.4808   34.990   3.5590   70.662   3.1469   66.668   3.4131 3.993301 4.642395 
1 1 1   13    4    8 o  342.282   1.8431  919.493   9.9004  909.466   13.881  929.875   14.125  340.370   2.5987  344.167   2.6152 -3.796875 3.686807 
1 1 1   13    4    9 o  218.194   2.0995  373.707   7.1891  377.485   10.190  369.964   10.144  219.252   2.9615  217.056   2.9781 2.196121 4.199943 
1 1 1   13    4   10 o  312.935   1.7610  768.674   8.6479  754.982   12.085  783.046   12.381  310.081   2.4834  315.790   2.4983 -5.709167 3.522605 
1 1 1   13    4   11 o   85.289   1.8647   57.108   2.4957   57.488   3.5516   56.737   3.5078   85.508   2.6499   84.948   2.6345 0.5598068 3.736671 
1 1 1   13    4   12 o  119.537   1.6273  112.179   3.0527  108.991   4.2811  115.477   4.3540  117.795   2.3159  121.250   2.2883 -3.455620 3.255713 
1 1 1   13    4   13 o   71.077   2.0270   39.711   2.2586   43.325   3.2172   36.199   3.1716   74.188   2.7682   67.785   2.9889 6.403915 4.073880 
1 1 1   13    4   14 o  138.948   1.5688  151.594   3.4208  153.469   4.8440  149.728   4.8315  139.757   2.2086  138.041   2.2303 1.715622 3.138837 
1 1 1   13    4   15 o   98.628   1.7537   76.406   2.7144   78.004   3.8088   74.757   3.8694   99.606   2.4367   97.470   2.5319 2.135750 3.513911 
1 1 1   13    4   16 o   81.545   1.9381   52.256   2.4801   53.207   3.4984   51.294   3.5166   82.179   2.7164   80.679   2.7817 1.500443 3.888024 
1 1 1   13    4   17 o   52.040   2.5584   21.367   2.0830   18.575   2.9287   24.226   2.9632   48.326   3.8947   55.304   3.4312 -6.977642 5.190508 
1 1 1   13    4   18 o  100.240   1.6748   78.967   2.6346   79.718   3.7033   78.197   3.7489  100.640   2.3448   99.668   2.3968 0.9711914 3.353075 
1 1 1   13    4   19 o  113.755   1.5926  101.711   2.8430  100.621   4.0064  102.816   4.0351  113.046   2.2583  114.273   2.2501 -1.227386 3.187945 
1 1 1   13    4   20 o   36.611   3.2996   10.699   1.8754   10.681   2.6751   10.716   2.6300   36.237   4.8238   36.322   4.7260 -0.8529282E-01 6.753138 
1 1 1   13    4   21 o   22.826   5.3414   4.3743   1.8792   3.9847   2.7725   4.7053   2.5559   22.072   7.0732   23.586   6.6305 -1.513960 9.695020 
1 1 1   13    4   22 o   84.140   2.0175   55.844   2.6640   53.508   3.6256   58.585   3.9273   82.108   2.8179   85.884   2.9182 -3.776154 4.056639 
1 1 1   13    4   23 o   34.775   4.2386   9.8841   2.2654   7.3327   3.2786   12.215   3.1338   28.877   7.2471   38.290   5.3620 -9.412951 9.015122 
1 1 1   13    4   24 o   54.762   2.9320   23.966   2.5105   29.311   3.8531   20.024   3.3094   60.068   4.1124   49.517   4.3014 10.55079 5.950937 
1 1 1   13    4   25 o   15.753   5.9847   1.6467   2.0414   2.7606   3.0967   0.7905   2.7149   19.454   7.3755   15.675   6.5665 3.778143 9.875120 
1 1 1   13    4   26 o   27.165   4.8365   6.3207   1.9862   7.2887   2.8589   5.4174   2.7615   28.331   6.5598   24.266   6.9163 4.064648 9.532401 
1 1 1   13    4   27 o   17.637   5.7121   2.7581   1.8050   4.3382   2.6012   1.2907   2.5066   21.411   6.8501   15.482   6.3821 5.929039 9.362490 
1 1 1   13    4   28 o   10.566   4.8006  -0.6127   1.7348   1.8661   2.4983  -2.9206   2.4107   16.075   6.4659   10.304   4.9713 5.771195 8.156092 
1 1 1   13    4   29 o   8.7538   4.2096  -2.0507   1.6953  -0.6516   2.4399  -3.3567   2.3573   12.312   5.6320   9.7486   4.7525 2.563531 7.369184 
1 1 1   13    4   30 o   7.7901   3.8449  -3.1653   1.6992  -3.7483   2.4909  -2.6578   2.3237   9.7094   4.7652   10.015   4.8438 -0.3052244 6.794764 
1 1 1   13    4   31 o   10.409   4.6812  -0.0474   1.6007   3.4265   2.3223  -3.1920   2.2095   17.342   6.4256   9.0509   4.4512 8.290750 7.816721 
1 1 1   13    5    0 o   84.044   3.2992   55.692   4.3361   55.692   4.3361   55.692   4.3361   84.044   3.2992   84.044   3.2992 0.000000 0.000000 
1 1 1   13    5    1 o  325.280   1.6830  830.320   8.5913  835.106   12.196  825.605   12.105  326.196   2.3825  324.336   2.3782 1.860779 3.366293 
1 1 1   13    5    2 f  353.893   1.7504  982.831   9.7209  975.657   13.670  990.172   13.827  352.576   2.4706  355.188   2.4805 -2.612610 3.500994 
1 1 1   13    5    3 o  296.395   1.6243  689.398   7.5553  694.065   10.737  684.820   10.634  297.380   2.3006  295.392   2.2939 1.987091 3.248855 
1 1 1   13    5    4 o  468.337   2.0630  1721.38   15.162  1728.61   21.516  1714.25   21.371  469.275   2.9216  467.323   2.9140 1.951904 4.126399 
1 1 1   13    5    5 o  162.543   1.6639  207.335   4.2443  210.082   6.2594  204.997   5.7745  163.604   2.4380  161.614   2.2768 1.989319 3.335810 
1 1 1   13    5    6 o  148.668   1.6424  173.451   3.8317  169.862   5.7971  176.234   5.1061  147.107   2.5111  149.848   2.1714 -2.740387 3.319734 
1 1 1   13    5    7 o  110.712   1.8028   96.196   3.1321   91.239   4.3417  101.576   4.5229  107.810   2.5662  113.754   2.5336 -5.944290 3.606220 
1 1 1   13    5    8 f  227.224   1.6173  405.206   5.7670  401.746   8.0977  408.767   8.2150  226.228   2.2809  228.196   2.2940 -1.967773 3.234967 
1 1 1   13    5    9 o  430.580   2.2577  1455.49   15.256  1457.08   19.982  1453.26   23.621  430.737   2.9561  430.096   3.4997 0.6414490 4.581095 
1 1 1   13    5   10 o   92.569   1.8534   67.267   2.6924   66.299   3.8005   68.243   3.8146   91.841   2.6397   93.181   2.6112 -1.340195 3.713020 
1 1 1   13    5   11 o  189.808   1.5697  282.808   4.6756  280.893   6.5786  284.763   6.6464  189.123   2.2166  190.421   2.2241 -1.297882 3.140068 
1 1 1   13    5   12 o  169.111   1.5027  224.509   3.9879  223.755   5.4672  225.367   5.8297  168.791   2.0640  169.388   2.1931 -0.5968628 3.011599 
1 1 1   13    5   13 o   63.466   2.0850   31.674   2.0738   32.002   2.9109   31.337   2.9553   63.728   2.9184   63.054   2.9953 0.6745872 4.181924 
1 1 1   13    5   14 o  115.132   1.5533  104.084   2.8065  104.154   3.9331  104.011   4.0059  115.131   2.1769  115.049   2.2188 0.8231354E-01 3.108320 
1 1 1   13    5   15 o  139.409   1.5041  152.619   3.2907  150.421   4.6348  154.854   4.6729  138.344   2.1348  140.369   2.1213 -2.025314 3.009565 
1 1 1   13    5   16 o  198.076   1.5830  308.182   4.9206  305.408   6.8897  311.069   7.0299  197.079   2.2277  198.892   2.2523 -1.813431 3.167884 
1 1 1   13    5   17 o  123.395   1.6598  119.639   3.2141  120.997   4.5283  118.260   4.5626  124.010   2.3269  122.593   2.3716 1.416946 3.322484 
1 1 1   13    5   18 o  153.861   1.6015  186.032   3.8670  182.954   5.3907  189.295   5.5503  152.470   2.2529  155.084   2.2806 -2.613846 3.205731 
1 1 1   13    5   19 o   62.643   2.4977   30.978   2.4504   29.622   3.4126   32.420   3.5208   61.059   3.5771   63.899   3.5247 -2.839359 5.021916 
1 1 1   13    5   20 f   75.514   2.1993   44.976   2.6035   42.595   3.6623   47.409   3.7018   73.275   3.1925   77.346   3.0558 -4.071442 4.419268 
1 1 1   13    5   21 o   67.874   2.3892   36.426   2.5409   35.665   3.5944   37.185   3.5924   66.890   3.4357   68.327   3.3606 -1.437035 4.805980 
1 1 1   13    5   22 o   67.483   2.3286   36.039   2.4623   35.287   3.3582   36.914   3.6212   66.515   3.2268   67.973   3.4057 -1.457169 4.691579 
1 1 1   13    5   23 o   62.136   2.4971   30.645   2.4299   30.906   3.6689   30.442   3.2432   61.941   3.7926   61.642   3.3655 0.2984886 5.070529 
1 1 1   13    5   24 o   35.657   4.6327   10.531   2.5311   6.5351   3.6454   14.251   3.5171   26.895   8.0278   41.108   5.5973 -14.21276 9.786450 
1 1 1   13    5   25 o   27.715   4.9531   6.5285   2.0752   7.7113   2.9915   5.4313   2.8812   29.393   6.6424   24.531   7.0876 4.861568 9.713692 
1 1 1   13    5   26 o   12.703   5.3631   0.4028   1.8334   0.8836   2.6289  -0.0525   2.5581   15.363   6.4504   13.915   6.1051 1.448516 8.881462 
1 1 1   13    5   27 o   37.977   3.2552   11.877   1.9213   12.339   2.7719   11.450   2.6655   37.723   4.7902   36.321   4.7933 1.401592 6.776566 
1 1 1   13    5   28 o   11.844   5.1166   0.2534   1.7390   2.5839   2.4968  -1.9425   2.4236   17.287   6.6063   11.110   5.2552 6.176317 8.441535 
1 1 1   13    5   29 o   13.865   5.4588   1.3921   1.7439   1.7669   2.5153   1.0452   2.4200   15.650   6.4161   14.400   6.1240 1.250892 8.869598 
1 1 1   13    5   30 o   13.866   5.4546   1.5322   1.7400   0.6213   2.6377   2.2339   2.3151   13.806   6.1220   15.797   6.2675 -1.991396 8.761293 
1 1 1   13    5   31 o   9.6864   4.5145  -0.7252   1.6777  -0.7124   2.5460  -0.7350   2.2305   11.652   5.4728   11.013   5.1564 0.6396666 7.519334 
1 1 1   13    6    0 o  383.339   2.5887  1153.36   15.571  1153.36   15.571  1153.36   15.571  383.339   2.5887  383.339   2.5887 0.000000 0.000000 
1 1 1   13    6    1 o  225.882   1.5238  400.390   5.4015  401.044   7.6595  399.744   7.6183  226.054   2.1591  225.688   2.1510 0.3666534 3.047744 
1 1 1   13    6    2 o  364.629   1.7844  1043.38   10.211  1040.46   14.411  1046.32   14.470  364.093   2.5221  365.116   2.5254 -1.023010 3.569150 
1 1 1   13    6    3 o  482.750   2.1104  1828.99   15.988  1809.71   22.403  1849.00   22.822  480.150   2.9733  485.333   2.9965 -5.183167 4.221274 
1 1 1   13    6    4 o  316.822   1.6786  787.715   8.3460  797.275   11.909  778.487   11.700  318.716   2.3810  314.939   2.3673 3.777222 3.357583 
1 1 1   13    6    5 o  126.438   1.6078  125.458   3.1902  129.890   4.5499  121.172   4.4743  128.644   2.2537  124.251   2.2947 4.392967 3.216352 
1 1 1   13    6    6 o  190.013   1.5077  283.340   4.4958  286.361   6.4084  280.413   6.3088  191.009   2.1379  189.016   2.1269 1.993713 3.015670 
1 1 1   13    6    7 o  188.573   1.5595  279.073   4.6151  275.853   6.2788  282.858   6.8064  187.467   2.1343  189.827   2.2848 -2.360596 3.126581 
1 1 1   13    6    8 o   78.869   1.8993   48.824   2.3508   51.100   3.4042   46.749   3.2501   80.628   2.6942   77.115   2.6898 3.513397 3.807077 
1 1 1   13    6    9 o  281.839   1.6599  623.479   7.3415  621.488   9.9664  625.841   10.855  281.350   2.2573  282.318   2.4502 -0.9683533 3.331486 
1 1 1   13    6   10 o  115.981   1.8618  105.604   3.3886  110.295   5.2015  102.145   4.4664  118.489   2.7973  114.041   2.4957 4.447960 3.748778 
1 1 1   13    6   11 f  271.179   1.6831  577.338   7.1628  570.748   9.9946  584.297   10.270  269.554   2.3627  272.730   2.3997 -3.176117 3.367631 
1 1 1   13    6   12 o  102.993   1.7608   83.293   2.8459   86.517   3.9794   79.919   4.0716  104.934   2.4165  100.811   2.5758 4.122803 3.531885 
1 1 1   13    6   13 o  133.014   1.6246  138.927   3.3913  139.247   4.7389  138.592   4.8552  133.122   2.2684  132.803   2.3297 0.3186798 3.251621 
1 1 1   13    6   14 o   92.430   1.7890   67.105   2.5949   63.075   3.7062   70.981   3.6344   89.518   2.6411   94.988   2.4401 -5.470108 3.595783 
1 1 1   13    6   15 o  118.747   1.5650  110.748   2.9164  106.280   4.0695  115.466   4.1816  116.271   2.2303  121.195   2.1986 -4.923988 3.131804 
1 1 1   13    6   16 o  198.569   1.5033  309.706   4.6845  308.770   6.5999  310.656   6.6502  198.168   2.1222  198.770   2.1319 -0.6025848 3.008176 
1 1 1   13    6   17 o   65.651   2.2363   33.947   2.3006   32.932   3.2352   34.986   3.2722   64.531   3.2047   66.527   3.1431 -1.995728 4.488802 
1 1 1   13    6   18 f  109.629   1.7423   94.481   2.9974   94.030   4.2032   94.948   4.2756  109.266   2.4513  109.793   2.4815 -0.5268173 3.488065 
1 1 1   13    6   19 o   50.189   2.7017   19.933   2.1201   19.467   2.9766   20.414   3.0204   49.377   3.8724   50.578   3.8339 -1.201397 5.449255 
1 1 1   13    6   20 f   36.469   3.5245   10.655   1.9920   8.7600   2.7636   12.705   2.8739   32.497   5.6225   39.553   4.7232 -7.056595 7.343117 
1 1 1   13    6   21 o   84.994   1.8753   56.922   2.5013   58.463   3.5603   55.421   3.5148   85.920   2.6437   83.641   2.6813 2.278534 3.765386 
1 1 1   13    6   22 o   64.848   2.2851   33.284   2.3218   31.325   3.3623   35.069   3.2102   62.568   3.4375   66.332   3.0924 -3.763916 4.623788 
1 1 1   13    6   23 o   40.510   4.0454   13.350   2.5374   11.799   3.6573   14.789   3.5233   37.036   6.5312   42.073   5.4652 -5.037460 8.516187 
1 1 1   13    6   24 o   15.137   6.2321   0.8724   2.3862  -1.5342   3.4528   3.0726   3.3014   14.780   6.7374   20.361   7.6382 -5.581965 10.18501 
1 1 1   13    6   25 o   20.214   6.3589   3.5526   2.2497   7.4715   3.2689   0.0264   3.1008   28.550   7.2760   15.447   6.7509 13.10265 9.925435 
1 1 1   13    6   26 o   20.632   6.1962   3.8575   2.1667   6.3064   3.0347   1.3112   3.0944   25.746   7.2205   16.741   7.0115 9.005104 10.06463 
1 1 1   13    6   27 o   10.653   4.8620  -0.7754   1.8050  -0.9897   2.6282  -0.5840   2.4834   12.690   5.8201   12.776   5.7805 -0.8607388E-01 8.202888 
1 1 1   13    6   28 o   16.236   5.7047   2.3493   1.8008   2.0388   2.5948   2.6378   2.5013   16.361   6.5865   17.324   6.6142 -0.9625549 9.334373 
1 1 1   13    6   29 o   18.688   5.5772   3.3531   1.7596   1.7142   2.5605   4.8197   2.4222   15.564   6.4366   21.694   6.5593 -6.129378 9.189921 
1 1 1   13    6   30 o   8.2914   4.0241  -2.1731   1.6395  -5.1977   2.3561   0.6664   2.2828   8.4739   4.2384   13.137   5.7654 -4.662796 7.155690 
1 1 1   13    6   31 o   12.000   5.0725   0.9306   1.6434  -0.4711   2.3613   2.2475   2.2888   11.471   5.3493   14.924   6.1195 -3.452980 8.127921 
1 1 1   13    7    0 o  137.203   2.3027  147.853   4.9549  147.853   4.9549  147.853   4.9549  137.203   2.3027  137.203   2.3027 0.000000 0.000000 
1 1 1   13    7    1 o  293.476   1.6433  675.896   7.5681  671.197   10.667  680.659   10.740  292.435   2.3243  294.489   2.3239 -2.054047 3.286754 
1 1 1   13    7    2 o  320.085   1.6984  804.031   8.5313  801.930   12.030  806.157   12.100  319.643   2.3983  320.484   2.4059 -0.8410950 3.397098 
1 1 1   13    7    3 o  254.171   1.5750  506.976   6.2821  508.938   8.9080  505.035   8.8607  254.645   2.2292  253.667   2.2259 0.9781952 3.150168 
1 1 1   13    7    4 f  164.101   1.6540  211.334   4.2593  213.106   6.0174  209.554   6.0299  164.774   2.3271  163.395   2.3516 1.379288 3.308368 
1 1 1   13    7    5 o  124.088   1.6985  120.843   3.3075  121.047   4.5422  120.613   4.8257  124.183   2.3308  123.956   2.4808 0.2261124 3.403939 
1 1 1   13    7    6 o  214.402   1.6975  360.769   5.7113  362.126   8.3849  359.595   7.8007  214.777   2.4877  214.032   2.3225 0.7451324 3.403316 
1 1 1   13    7    7 o   66.193   2.3345   34.440   2.4212   34.274   3.2442   34.648   3.6377   65.987   3.1419   66.322   3.5076 -0.3349991 4.709039 
1 1 1   13    7    8 o  212.738   1.5103  355.204   5.0423  361.563   7.1663  348.969   7.0959  214.606   2.1279  210.835   2.1447 3.771484 3.021160 
1 1 1   13    7    9 o  159.823   1.5139  200.493   3.7970  198.827   5.3328  202.206   5.4074  159.132   2.1355  160.478   2.1472 -1.345917 3.028308 
1 1 1   13    7   10 o   67.303   2.3034   35.618   2.4292   39.410   3.6974   32.738   3.2222   70.719   3.3410   64.454   3.1956 6.265060 4.623201 
1 1 1   13    7   11 o   66.263   2.1225   34.522   2.2043   30.602   3.0976   38.543   3.1374   62.301   3.1787   69.966   2.8635 -7.664215 4.278337 
1 1 1   13    7   12 o   82.785   1.8444   53.821   2.3962   51.389   3.3379   56.406   3.4419   80.814   2.6355   84.674   2.5933 -3.860725 3.697416 
1 1 1   13    7   13 o  177.850   1.6131  248.381   4.5021  247.296   6.3082  249.508   6.4274  177.394   2.2660  178.181   2.2986 -0.7873840 3.227771 
1 1 1   13    7   14 o  173.093   1.7291  235.340   4.6967  229.440   6.4717  241.905   6.8269  170.824   2.4141  175.393   2.4803 -4.568985 3.461200 
1 1 1   13    7   15 o  133.766   1.7814  140.588   3.7395  141.375   5.2239  139.760   5.3553  134.057   2.4832  133.278   2.5605 0.7788239 3.566797 
1 1 1   13    7   16 o  126.009   1.8343  124.795   3.6273  116.620   4.9898  133.956   5.2824  121.710   2.6124  130.448   2.5804 -8.738281 3.671970 
1 1 1   13    7   17 o  112.602   1.6426   99.640   2.9026   97.711   4.0769  101.623   4.1336  111.421   2.3316  113.631   2.3180 -2.210205 3.287821 
1 1 1   13    7   18 o   55.039   2.3875   23.905   2.0572   21.320   2.8708   26.635   2.9495   51.787   3.5540   57.965   3.2555 -6.178585 4.819698 
1 1 1   13    7   19 f   52.293   2.5225   21.622   2.0639   17.760   2.8651   25.787   2.9757   47.117   3.9101   56.964   3.3435 -9.846825 5.144672 
1 1 1   13    7   20 o   19.262   5.7681   3.0553   1.8797   1.9393   2.6450   4.1940   2.6717   17.849   6.8048   22.476   6.9075 -4.627342 9.696365 
1 1 1   13    7   21 o  110.910   1.7152   96.881   2.9853   96.187   4.1215   97.647   4.3299  110.321   2.3806  111.120   2.4830 -0.7993469 3.439840 
1 1 1   13    7   22 o   56.022   2.5152   24.911   2.2057   25.555   3.1565   24.296   3.0834   56.416   3.5838   55.001   3.5920 1.415146 5.074031 
1 1 1   13    7   23 o   12.212   5.5255  -1.0157   2.2697  -1.9559   3.2438  -0.1138   3.1770   13.948   6.4220   15.697   6.8471 -1.748632 9.387503 
1 1 1   13    7   24 o   20.097   6.3852   3.4459   2.2632   1.9552   3.2417   4.8635   3.1611   18.448   7.3842   23.474   7.5556 -5.026089 10.56474 
1 1 1   13    7   25 o   19.651   6.0612   3.3680   2.0548   4.5191   2.8859   2.1843   2.9264   22.426   7.2193   18.080   7.0855 4.345621 10.11544 
1 1 1   13    7   26 o   39.519   3.8082   12.985   2.3325   10.665   3.1923   15.643   3.4165   34.291   6.1585   42.396   5.2471 -8.104584 8.090712 
1 1 1   13    7   27 o   21.348   6.4796   4.3989   2.3605   5.8757   3.2139   2.6694   3.4781   23.881   7.6115   18.496   7.5594 5.384756 10.72751 
1 1 1   13    7   28 o   11.095   5.0798  -0.7370   1.9908   0.1304   2.8088  -1.6128   2.8222   14.006   6.2573   12.300   5.7723 1.705510 8.513100 
1 1 1   13    7   29 o   14.408   5.7283   1.5652   1.9378   2.5144   2.6982   0.5541   2.7848   16.885   6.7441   14.236   6.3026 2.649814 9.230737 
1 1 1   13    7   30 o   15.119   5.6023   2.2089   1.7653   0.1775   2.4830   4.2850   2.5103   12.725   5.7664   19.330   6.7394 -6.604863 8.869681 
1 1 1   13    8    0 o  132.137   2.6625  137.197   5.5159  137.197   5.5159  137.197   5.5159  132.137   2.6625  132.137   2.6625 0.000000 0.000000 
1 1 1   13    8    1 o  136.721   1.7140  146.697   3.6775  148.195   5.3364  145.342   5.0750  137.404   2.4748  136.077   2.3765 1.326889 3.431137 
1 1 1   13    8    2 o  192.776   1.5625  291.643   4.7269  290.775   6.6674  292.520   6.7023  192.475   2.2074  193.051   2.2123 -0.5765839 3.125181 
1 1 1   13    8    3 o  216.241   1.6073  366.968   5.4544  367.846   7.4567  365.957   7.9992  216.484   2.1949  215.922   2.3607 0.5619659 3.223445 
1 1 1   13    8    4 o  302.474   1.6657  718.028   7.9065  718.398   11.144  717.653   11.219  302.522   2.3473  302.365   2.3645 0.1578369 3.331751 
1 1 1   13    8    5 f  158.374   1.5520  196.847   3.8573  188.028   5.3484  206.406   5.5683  154.770   2.2021  162.158   2.1881 -7.387833 3.104373 
1 1 1   13    8    6 o  120.238   1.8752  113.475   3.5384  106.790   4.5378  123.844   5.6516  116.628   2.4794  125.583   2.8677 -8.955132 3.790893 
1 1 1   13    8    7 o  133.349   1.8079  139.578   3.7833  132.324   5.3010  147.109   5.4011  129.811   2.6022  136.875   2.5145 -7.063736 3.618572 
1 1 1   13    8    8 o   97.077   1.7723   73.977   2.7000   72.160   3.7655   75.901   3.8735   95.823   2.5062   98.277   2.5136 -2.453880 3.549568 
1 1 1   13    8    9 o   70.948   2.0527   39.559   2.2831   39.327   3.2077   39.797   3.2502   70.684   2.8979   71.104   2.9190 -0.4198608 4.113235 
1 1 1   13    8   10 o  162.062   1.7447  206.215   4.4372  201.110   6.2064  211.554   6.3463  159.991   2.4719  164.094   2.4645 -4.102539 3.490568 
1 1 1   13    8   11 o   55.798   2.5601   24.520   2.2357   18.038   3.1189   31.370   3.2065   47.660   4.2134   63.065   3.2509 -15.40502 5.321718 
1 1 1   13    8   12 o  195.280   1.6016  299.439   4.9082  306.337   6.9504  292.577   6.9321  197.448   2.2431  192.957   2.2893 4.490997 3.205041 
1 1 1   13    8   13 o   46.922   2.9631   17.394   2.1708   15.686   3.0334   19.187   3.1077   44.354   4.4168   49.150   4.0655 -4.796585 6.002975 
1 1 1   13    8   14 o   42.653   3.0102   14.396   2.0020   14.767   2.8256   14.022   2.8369   43.028   4.2397   41.895   4.3796 1.132721 6.095542 
1 1 1   13    8   15 o   73.349   2.0251   42.325   2.3288   41.230   3.2679   43.455   3.3194   72.295   2.8863   74.227   2.8550 -1.931946 4.059741 
1 1 1   13    8   16 o   58.068   2.6383   26.609   2.3979   24.140   3.4129   29.015   3.3698   55.098   3.9738   60.505   3.5648 -5.406857 5.338420 
1 1 1   13    8   17 o   49.913   2.9199   19.716   2.2771   19.057   3.1913   20.400   3.2502   48.845   4.2042   50.562   4.1322 -1.717388 5.894981 
1 1 1   13    8   18 o   43.932   3.2673   15.346   2.2365   14.860   3.1298   15.854   3.1969   42.916   4.7253   44.361   4.6618 -1.444954 6.637820 
1 1 1   13    8   19 o   47.013   3.0647   17.564   2.2487   14.211   3.1846   20.900   3.1758   41.817   4.9486   51.087   3.9930 -9.270313 6.358616 
1 1 1   13    8   20 o   74.406   2.6904   43.855   3.1363   43.763   4.0876   43.987   4.8904   74.078   3.5264   74.009   4.2283 0.6929016E-01 5.505776 
1 1 1   13    8   21 o   77.183   2.2586   47.108   2.7327   44.821   3.7603   49.668   3.9782   74.990   3.2027   78.941   3.2180 -3.951134 4.540128 
1 1 1   13    8   22 o   21.269   6.1074   3.8632   2.1456   1.3525   2.9963   6.5055   3.0738   17.330   7.0411   27.208   7.1184 -9.877911 10.01246 
1 1 1   13    8   23 o   22.341   5.9463   4.3229   2.1214   7.8918   3.0684   1.0553   2.9361   29.970   6.6934   16.657   6.8909 13.31283 9.606530 
1 1 1   13    8   24 o   27.318   5.7584   6.4908   2.3907   8.2810   3.3333   4.5944   3.4307   30.265   7.1352   22.945   7.8847 7.320395 10.63388 
1 1 1   13    8   25 o   32.491   4.3929   8.8662   2.1825   7.0730   3.1324   10.558   3.0426   27.564   7.1734   34.728   5.7865 -7.163502 9.216370 
1 1 1   13    8   26 o   18.375   6.1199   3.0186   2.0661   2.7852   2.9118   3.2552   2.9320   18.498   7.1178   19.334   7.2093 -0.8362064 10.13101 
1 1 1   13    8   27 o   11.094   5.1736  -1.3709   2.2083   0.6792   3.1847  -3.2694   3.0648   15.474   6.7999   11.709   5.6381 3.765642 8.833300 
1 1 1   13    8   28 o   19.940   6.4164   3.9646   2.2798   3.5123   3.3716   4.3455   3.0946   19.053   7.5621   20.391   7.4407 -1.338270 10.60893 
1 1 1   13    8   29 o   23.493   5.6255   5.3837   2.0465   7.1756   2.9674   3.7582   2.8262   25.686   7.1166   18.916   7.0731 6.770142 10.03362 
1 1 1   13    8   30 o   8.6421   4.2401  -2.8744   1.9676  -7.9051   3.0185   0.8428   2.5946   8.7786   4.4421   13.496   6.0229 -4.717683 7.483796 
1 1 1   13    9    0 o  379.891   2.6168  1132.84   15.599  1132.84   15.599  1132.84   15.599  379.891   2.6168  379.891   2.6168 0.000000 0.000000 
1 1 1   13    9    1 o  391.981   1.8804  1205.93   11.567  1204.83   16.350  1207.04   16.366  391.750   2.6595  392.108   2.6597 -0.3578186 3.761214 
1 1 1   13    9    2 o  156.251   1.5968  191.607   3.9154  194.249   5.5671  189.022   5.5078  157.309   2.2551  155.178   2.2617 2.131271 3.193884 
1 1 1   13    9    3 o  227.405   1.5723  405.852   5.6110  401.945   7.8798  409.870   7.9918  226.285   2.2190  228.504   2.2286 -2.219421 3.144945 
1 1 1   13    9    4 o  155.272   1.5842  189.217   3.8602  184.964   5.4068  193.639   5.5131  153.499   2.2445  157.057   2.2368 -3.558716 3.168788 
1 1 1   13    9    5 o   83.667   1.9813   54.950   2.6014   49.621   3.6384   60.523   3.7209   79.434   2.9237   87.751   2.7053 -8.316345 3.983318 
1 1 1   13    9    6 o   98.299   1.8294   75.850   2.8221   76.448   3.9831   75.248   3.9990   98.632   2.5755   97.853   2.6065 0.7792206 3.664312 
1 1 1   13    9    7 o  206.591   1.9269  335.069   6.2472  334.132   8.9178  335.973   8.7541  206.243   2.7553  206.815   2.6973 -0.5722656 3.855772 
1 1 1   13    9    8 o  100.972   1.8909   80.049   2.9962   77.615   4.1946   82.585   4.2813   99.356   2.6927  102.492   2.6641 -3.136398 3.787904 
1 1 1   13    9    9 o   46.570   3.1032   17.127   2.2550   17.641   3.1793   16.607   3.1988   47.124   4.3481   45.687   4.5207 1.436787 6.272424 
1 1 1   13    9   10 o   74.406   2.2451   43.532   2.6185   41.995   3.5794   45.301   3.8406   73.006   3.1316   75.819   3.2353 -2.813934 4.502638 
1 1 1   13    9   11 o  157.090   1.5420  193.757   3.8013  196.385   5.3919  191.159   5.3598  158.101   2.1732  155.982   2.1896 2.119293 3.085023 
1 1 1   13    9   12 o  157.885   1.5347  195.740   3.8025  198.046   5.3977  193.469   5.3576  158.753   2.1666  156.907   2.1758 1.846115 3.070578 
1 1 1   13    9   13 o   24.345   5.3835   4.8814   2.0021   2.5496   2.7470   7.5235   2.9240   19.468   7.0238   30.188   6.3726 -10.71968 9.483812 
1 1 1   13    9   14 o  164.877   1.6449  213.551   4.2560  210.621   5.9236  216.678   6.1189  163.649   2.3066  165.978   2.3492 -2.329163 3.292234 
1 1 1   13    9   15 o   93.186   1.9106   68.261   2.7940   71.101   3.9249   65.344   3.9782   94.991   2.6355   91.038   2.7878 3.952957 3.836392 
1 1 1   13    9   16 o  119.191   1.7579  111.668   3.2880  112.263   4.6044  111.048   4.6969  119.408   2.4572  118.749   2.5205 0.6588516 3.519998 
1 1 1   13    9   17 o  165.968   1.6524  216.535   4.3037  214.596   6.0156  218.568   6.1597  165.075   2.3221  166.587   2.3562 -1.511688 3.308164 
1 1 1   13    9   18 o   25.184   5.4718   5.2876   2.1006   4.8601   2.9420   5.7320   3.0001   24.169   7.2113   26.053   7.1313 -1.884081 10.14188 
1 1 1   13    9   19 o   59.495   2.8157   28.061   2.6214   30.718   3.6536   25.242   3.7633   62.008   3.7725   56.030   4.3131 5.977623 5.730141 
1 1 1   13    9   20 o   56.537   3.3664   25.520   2.9733   24.039   4.1741   27.045   4.2363   54.325   4.9505   57.741   4.7162 -3.415268 6.837386 
1 1 1   13    9   21 o   55.339   3.0374   24.426   2.6276   27.261   3.6942   21.523   3.7383   58.102   4.0774   51.354   4.6904 6.748241 6.214917 
1 1 1   13    9   22 o   30.021   4.7892   7.5083   2.1805   8.4329   3.1860   6.6936   2.9907   31.086   6.7265   27.582   6.9213 3.503662 9.651461 
1 1 1   13    9   23 f   34.877   4.0951   9.9854   2.1987   8.9308   3.2132   10.914   3.0151   31.872   6.6400   35.868   5.5344 -3.996498 8.643975 
1 1 1   13    9   24 o   16.869   6.3426   2.0261   2.2792   0.0763   3.1643   4.1281   3.2855   15.641   6.8280   21.907   7.7049 -6.265782 10.29503 
1 1 1   13    9   25 o   23.937   5.8127   5.1576   2.1614   8.2923   3.1752   2.4506   2.9506   29.811   6.9205   18.266   7.1274 11.54521 9.934422 
1 1 1   13    9   26 o   25.241   5.4260   5.7786   2.0853   7.6329   3.0403   4.1312   2.8657   27.982   6.9540   20.767   7.2031 7.214363 10.01217 
1 1 1   13    9   27 o   16.707   6.0923   2.4754   2.0741  -0.4220   2.9953   5.1446   2.8749   13.841   6.2962   22.301   7.2079 -8.459668 9.570592 
1 1 1   13    9   28 o   22.897   6.1992   5.2248   2.2817   8.9505   3.3885   2.1342   3.0862   28.893   7.4314   16.775   7.0123 12.11823 10.21755 
1 1 1   13    9   29 o   7.8650   3.9174  -4.1215   1.9225  -3.6544   2.7687  -4.5564   2.6715   10.373   5.0767   9.6326   4.7665 0.7399216 6.963696 
1 1 1   13    9   30 o   11.152   4.9827   0.2120   1.7814   1.4777   2.5847  -0.9332   2.4587   14.073   6.1567   11.275   5.3209 2.798552 8.137389 
1 1 1   13   10    0 o   74.556   3.2520   43.887   3.7884   43.887   3.7884   43.887   3.7884   74.556   3.2520   74.556   3.2520 0.000000 0.000000 
1 1 1   13   10    1 o   87.949   2.0356   60.717   2.8096   60.376   3.9643   61.061   3.9824   87.636   2.8865   88.132   2.8833 -0.4965897 4.079849 
1 1 1   13   10    2 o  193.279   1.6179  293.200   4.9074  295.509   7.2139  291.212   6.6954  194.009   2.3694  192.600   2.2152 1.408768 3.243649 
1 1 1   13   10    3 o   97.386   2.0389   74.451   3.1160   75.055   4.4056   73.846   4.4078   97.716   2.8761   96.924   2.9011 0.7919159 4.085191 
1 1 1   13   10    4 o  194.110   1.6631  295.746   5.0660  297.177   7.1307  294.287   7.1987  194.547   2.3356  193.597   2.3695 0.9499969 3.327077 
1 1 1   13   10    5 o  209.494   1.7349  344.508   5.7038  336.500   7.6967  354.264   8.4950  207.008   2.3692  212.389   2.5487 -5.381165 3.479856 
1 1 1   13   10    6 o  131.350   1.8820  135.451   3.8793  137.339   5.4169  133.464   5.5580  132.227   2.6105  130.343   2.7172 1.884583 3.768038 
1 1 1   13   10    7 o  109.546   2.0586   94.236   3.5389   93.808   5.1397   94.621   4.8799  109.207   3.0019  109.693   2.8372 -0.4867401 4.130487 
1 1 1   13   10    8 o  119.689   1.8438  112.487   3.4632  112.349   4.6531  112.659   5.1854  119.580   2.4796  119.726   2.7599 -0.1459045 3.710121 
1 1 1   13   10    9 o   89.209   1.9875   62.505   2.7824   64.735   3.9224   60.246   3.9475   90.705   2.7588   87.489   2.8791 3.215981 3.987476 
1 1 1   13   10   10 o  116.012   1.9262  105.712   3.5068  107.478   4.5765  103.201   5.4578  116.937   2.4939  114.499   3.0401 2.437660 3.932177 
1 1 1   13   10   11 o  122.265   1.7532  117.407   3.3638  118.123   4.7111  116.662   4.8045  122.581   2.4490  121.815   2.5133 0.7665176 3.509171 
1 1 1   13   10   12 o   52.219   2.8163   21.519   2.2994   19.736   3.2089   23.401   3.2965   49.830   4.1409   54.325   3.8925 -4.495647 5.683173 
1 1 1   13   10   13 o   99.093   1.9071   77.165   2.9657   82.329   4.2322   72.182   4.1570  102.251   2.6397   95.720   2.7703 6.530495 3.826577 
1 1 1   13   10   14 f   73.631   2.2400   42.682   2.5853   41.397   3.5847   44.074   3.7320   72.393   3.1630   74.697   3.1910 -2.304565 4.493013 
1 1 1   13   10   15 o  112.089   1.7567   98.750   3.0901   99.225   4.4949   98.324   4.2550  112.254   2.5516  111.762   2.4261 0.4919510 3.520851 
1 1 1   13   10   16 o  123.139   1.6751  119.190   3.2370  119.027   4.6121  119.348   4.5443  122.942   2.3905  123.116   2.3520 -0.1731110 3.353581 
1 1 1   13   10   17 o   10.606   4.9307  -1.7261   1.9818   1.8755   2.8618  -5.0450   2.7472   18.273   7.0498   10.426   5.0930 7.847738 8.696999 
1 1 1   13   10   18 o  105.679   1.7751   87.888   2.9438   94.416   4.2366   81.792   4.0936  109.384   2.4680  101.754   2.5656 7.630066 3.559979 
1 1 1   13   10   19 o   32.270   4.2167   8.4679   2.0843   7.5907   2.9849   9.3028   2.9119   29.851   6.5519   33.381   5.7671 -3.530102 8.728487 
1 1 1   13   10   20 o   16.532   6.3150   1.6743   2.2808   3.6377   3.4825   0.1996   3.0181   21.908   7.9077   15.870   6.7965 6.038359 10.42712 
1 1 1   13   10   21 o   31.910   4.6582   8.4189   2.2639   5.7331   3.1936   11.132   3.2097   25.567   7.4838   36.313   5.8295 -10.74594 9.486326 
1 1 1   13   10   22 o   24.485   6.2783   5.2317   2.4236   1.4119   3.4576   8.9211   3.3981   18.168   7.4931   31.778   7.0031 -13.61096 10.25619 
1 1 1   13   10   23 o   32.745   4.7443   8.9799   2.3670   6.7057   3.2686   11.488   3.4324   27.142   7.4491   36.354   6.2410 -9.212696 9.718012 
1 1 1   13   10   24 o   30.130   4.9369   7.7457   2.2535   5.5259   2.9603   10.805   3.4752   24.487   7.2155   34.704   6.6225 -10.21721 9.793955 
1 1 1   13   10   25 o   14.895   5.8296   1.4666   1.9788   0.1895   2.7970   2.7462   2.7998   14.583   6.3915   18.416   7.0058 -3.832287 9.483308 
1 1 1   13   10   26 f   21.254   5.8305   4.2480   2.0030   7.9262   2.9363   1.0470   2.7392   28.544   6.6750   15.275   6.5066 13.26861 9.321523 
1 1 1   13   10   27 o   29.366   4.5184   7.6384   2.0156   8.5429   2.8909   6.7827   2.8118   29.456   6.4344   25.767   6.8403 3.688412 9.391014 
1 1 1   13   10   28 o   14.351   5.6779   1.5699   1.8951   4.4070   2.7776  -0.9011   2.5921   20.335   7.0892   12.273   5.6828 8.061185 9.085769 
1 1 1   13   10   29 o   9.0054   4.3275  -1.8379   1.7841  -3.8957   2.5435   0.1553   2.5032   9.5761   4.7222   12.774   5.7891 -3.198095 7.470815 
1 1 1   13   10   30 o   10.885   5.0269  -0.3061   2.0092   1.8203   2.9219  -2.2131   2.7672   14.557   6.4500   10.771   5.2278 3.786006 8.302514 
1 1 1   13   11    0 o  105.312   3.5861   87.399   5.9111   87.399   5.9111   87.399   5.9111  105.312   3.5861  105.312   3.5861 0.000000 0.000000 
1 1 1   13   11    1 o  186.536   2.2026  273.203   6.4477  259.941   8.9652  287.412   9.2799  181.892   3.1408  191.266   3.0917 -9.373672 4.407189 
1 1 1   13   11    2 o  175.307   2.0997  241.290   5.7764  245.534   8.7035  237.949   7.7223  176.775   3.1374  174.045   2.8273 2.729492 4.223370 
1 1 1   13   11    3 o   36.441   4.5186   10.611   2.5287   8.3591   3.4858   13.112   3.6740   31.897   7.1419   40.340   5.9847 -8.443636 9.317932 
1 1 1   13   11    4 o  245.934   1.8343  474.850   7.0795  476.568   10.045  473.153   9.9792  246.310   2.5987  245.427   2.5910 0.8832397 3.669675 
1 1 1   13   11    5 o  125.879   1.9364  124.419   3.8251  131.157   6.0137  119.839   4.9572  129.183   2.9664  123.509   2.5576 5.673714 3.916745 
1 1 1   13   11    6 f   26.310   5.6173   5.6734   2.2487   6.7761   3.2544   4.6659   3.1108   28.681   7.2330   24.246   7.4540 4.434708 10.38640 
1 1 1   13   11    7 o  108.892   1.9146   93.117   3.2717   95.894   4.9497   90.962   4.3599  110.410   2.8591  107.588   2.5823 2.822319 3.852630 
1 1 1   13   11    8 o  156.757   1.6882  192.950   4.1530  199.401   6.0339  187.143   5.7248  159.297   2.4137  154.327   2.3638 4.969269 3.378400 
1 1 1   13   11    9 o  136.783   1.7229  146.927   3.6983  149.818   5.3346  144.252   5.1316  138.062   2.4622  135.478   2.4137 2.584518 3.447900 
1 1 1   13   11   10 o   43.235   3.5065   14.819   2.3587   15.881   3.3270   13.746   3.3445   44.570   4.8340   41.350   5.2740 3.219791 7.154156 
1 1 1   13   11   11 o   38.427   3.7550   11.754   2.2355   17.937   3.2414   6.1451   3.0872   47.448   4.4035   27.242   7.1373 20.20605 8.386367 
1 1 1   13   11   12 o   66.384   2.3919   34.705   2.4877   33.590   3.5813   35.745   3.4583   65.169   3.5148   67.266   3.2860 -2.096748 4.811637 
1 1 1   13   11   13 o   61.311   2.5204   29.633   2.4198   29.013   3.5304   30.183   3.3233   60.496   3.7370   61.754   3.4428 -1.258347 5.081111 
1 1 1   13   11   14 o  154.186   1.6859  186.822   4.0792  188.071   5.9089  185.684   5.6384  154.574   2.4359  153.608   2.3390 0.9652863 3.377086 
1 1 1   13   11   15 o   57.913   2.6724   26.487   2.4222   24.570   3.5306   28.191   3.3293   55.533   4.0797   59.603   3.5758 -4.070343 5.424984 
1 1 1   13   11   16 o   22.026   6.3353   4.0104   2.3068   2.3776   3.4464   5.3357   3.1050   20.190   7.7501   25.305   7.3714 -5.114801 10.69591 
1 1 1   13   11   17 o   74.788   2.4472   44.164   2.8683   38.357   4.2057   49.214   3.9220   69.357   3.8795   78.786   3.1787 -9.428726 5.015403 
1 1 1   13   11   18 o   78.388   2.4118   48.557   2.9633   61.770   4.4935   38.389   3.9418   88.173   3.2530   69.370   3.6336 18.80335 4.877026 
1 1 1   13   11   19 o   30.061   5.4006   7.5519   2.4541   7.1181   3.7208   7.8860   3.2650   28.521   7.9938   30.217   7.0196 -1.696928 10.63843 
1 1 1   13   11   20 o   13.689   5.8413   0.1529   2.2149   3.3687   3.2298  -2.7019   3.0432   21.070   7.6141   12.843   6.0163 8.227522 9.704165 
1 1 1   13   11   21 o   55.291   2.8934   24.398   2.5018   22.946   3.6009   25.753   3.4785   53.049   4.3639   56.404   3.9549 -3.354801 5.889418 
1 1 1   13   11   22 f   22.712   6.1060   4.5013   2.2230   5.6692   3.1872   3.3949   3.1022   25.160   7.5055   20.688   7.4640 4.471769 10.58510 
1 1 1   13   11   23 o   17.609   6.3116   2.4230   2.2141   3.0679   3.1659   1.8055   3.0975   19.951   7.4807   17.831   7.1899 2.120062 10.37574 
1 1 1   13   11   24 f   15.131   6.2390   1.0572   2.3963   1.0437   3.4009   1.0704   3.3771   16.997   7.2452   16.989   7.2302 0.7555008E-02 10.23564 
1 1 1   13   11   25 o   14.984   6.1375   1.2575   2.2992   0.8332   3.2070   1.7062   3.2980   15.991   6.9283   17.230   7.2288 -1.238417 10.01284 
1 1 1   13   11   26 f   13.374   5.6490   0.7509   2.0356  -0.1486   2.9102   1.6126   2.8485   13.996   6.3017   16.083   6.7310 -2.087254 9.220473 
1 1 1   13   11   27 o   10.371   4.8431  -1.2136   1.9462  -1.9321   2.8047  -0.5462   2.7029   11.912   5.6398   12.961   5.9283 -1.049222 8.182456 
1 1 1   13   11   28 o   8.6753   4.2395  -2.8685   1.9089   0.5023   2.7638  -5.9430   2.6395   13.977   6.2283   8.9277   4.4685 5.049706 7.665421 
1 1 1   13   11   29 o   13.099   5.4643   1.2725   1.8682   1.0977   2.6833   1.4370   2.6026   13.861   6.1591   14.197   6.1950 -0.3352890 8.735715 
1 1 1   13   12    0 o  158.927   2.3177  198.410   5.7776  198.410   5.7776  198.410   5.7776  158.927   2.3177  158.927   2.3177 0.000000 0.000000 
1 1 1   13   12    1 o  144.524   1.6627  163.975   3.7709  162.415   5.3070  165.566   5.3592  143.798   2.3517  145.186   2.3522 -1.387924 3.326182 
1 1 1   13   12    2 o  107.805   1.8372   91.251   3.1082   94.408   4.4283   88.186   4.3637  109.620   2.5742  105.943   2.6247 3.676376 3.676329 
1 1 1   13   12    3 o  199.161   1.6975  311.414   5.3053  306.883   7.4895  315.977   7.5162  197.648   2.4147  200.558   2.3881 -2.909698 3.396103 
1 1 1   13   12    4 o   74.540   2.4268   43.698   2.8350   46.796   4.0140   40.613   4.0045   77.064   3.3269   71.758   3.5673 5.305786 4.877872 
1 1 1   13   12    5 o  172.652   1.7990  234.067   4.8743  241.334   6.6977  225.885   7.1070  175.257   2.4353  169.531   2.6714 5.725876 3.614776 
1 1 1   13   12    6 o  148.898   1.7317  174.092   4.0463  175.194   5.7708  173.025   5.6750  149.313   2.4628  148.388   2.4370 0.9249725 3.464777 
1 1 1   13   12    7 o   92.638   2.0254   67.411   2.9445   67.189   4.4131   67.588   3.9530   92.372   3.0486   92.679   2.7209 -0.3072662 4.086216 
1 1 1   13   12    8 o  163.133   1.7094  208.995   4.3763  215.815   6.7004  203.921   5.7792  165.683   2.5770  161.087   2.2861 4.596512 3.444915 
1 1 1   13   12    9 o  114.052   1.7766  102.173   3.1797  103.743   4.5260  100.643   4.4682  114.866   2.5108  113.136   2.5167 1.729530 3.554976 
1 1 1   13   12   10 o   85.328   1.9995   57.214   2.6774   53.992   3.7555   60.543   3.8181   82.774   2.8956   87.672   2.7786 -4.898300 4.013120 
1 1 1   13   12   11 o  115.246   1.7566  104.349   3.1769  105.036   4.5191  103.679   4.4670  115.549   2.4922  114.802   2.4795 0.7471542 3.515526 
1 1 1   13   12   12 f   21.233   6.3174   3.6545   2.2604   3.5973   3.3420   3.7027   3.0688   22.249   7.7749   22.112   7.4598 0.1373444 10.77482 
1 1 1   13   12   13 o   71.281   2.4139   40.037   2.6964   39.896   3.9093   40.165   3.7239   70.987   3.5202   71.258   3.3394 -0.2709885 4.852152 
1 1 1   13   12   14 o  128.100   1.8114  129.010   3.6414  125.246   5.2103  132.604   5.0911  126.079   2.6334  129.756   2.5002 -3.676895 3.631223 
1 1 1   13   12   15 o   71.456   2.4121   40.271   2.7010   40.600   3.9328   39.977   3.7160   71.543   3.5137   71.027   3.3432 0.5160675 4.850060 
1 1 1   13   12   16 o  110.838   1.8024   96.657   3.1350   97.468   4.4885   95.883   4.3805  111.146   2.5734  110.249   2.5319 0.8978424 3.610078 
1 1 1   13   12   17 o   34.844   4.1066   9.8138   2.2024   11.250   3.1677   8.4697   3.0643   36.897   5.6504   31.700   6.3808 5.196360 8.523009 
1 1 1   13   12   18 o   54.053   2.8321   23.209   2.3939   24.788   3.4469   21.738   3.3274   55.541   3.9810   51.953   4.1148 3.588390 5.725392 
1 1 1   13   12   19 o   10.668   5.0043  -2.0279   2.1173  -1.1956   3.0351  -2.8168   2.9550   14.263   6.4274   12.520   5.8854 1.742316 8.714905 
1 1 1   13   12   20 o   37.229   3.9565   11.270   2.2762   12.158   3.2597   10.426   3.1798   38.039   5.6305   35.018   6.0023 3.020485 8.229800 
1 1 1   13   12   21 o   31.831   4.6182   8.4211   2.2396   4.4324   3.2103   12.203   3.1260   22.771   7.6295   38.090   5.3793 -15.31818 9.335192 
1 1 1   13   12   22 o   25.560   5.5611   5.6599   2.1671   4.5157   3.1587   6.6773   2.9785   22.707   7.5672   27.242   6.9467 -4.534817 10.27226 
1 1 1   13   12   23 o   20.861   6.1187   3.8627   2.1329   7.0033   3.0273   0.7671   3.0056   27.603   6.9842   16.073   6.8299 11.53024 9.768637 
1 1 1   13   12   24 o   43.657   3.4210   15.672   2.3250   12.461   3.3081   18.806   3.2684   37.326   5.8388   47.109   4.4747 -9.783169 7.356256 
1 1 1   13   12   25 o   22.274   5.9856   4.6945   2.1368   3.4399   3.0110   5.9674   3.0329   19.334   7.2856   24.214   7.3437 -4.880823 10.34454 
1 1 1   13   12   26 o   13.861   5.8359   0.9547   2.1613   0.5950   2.9827   1.3523   3.1360   14.829   6.5459   15.966   6.8841 -1.137347 9.499463 
1 1 1   13   12   27 o   7.7222   3.8867  -5.8024   2.1399  -6.8176   3.1027  -4.8813   2.9554   9.6963   4.8519   10.269   5.0687 -0.5722055 7.016612 
1 1 1   13   12   28 o   10.715   4.9707  -0.7859   1.9971   0.9898   2.9176  -2.3515   2.7395   14.463   6.4247   11.082   5.3348 3.381563 8.350847 
1 1 1   13   12   29 o   16.532   6.0210   3.0806   2.0249   1.6711   2.8926   4.4350   2.8355   14.432   6.4048   18.414   7.0394 -3.981566 9.517083 
1 1 1   13   13    0 o  213.403   2.2830  357.675   7.6437  357.675   7.6437  357.675   7.6437  213.403   2.2830  213.403   2.2830 0.000000 0.000000 
1 1 1   13   13    1 o  180.065   1.6221  254.567   4.5837  254.044   6.4698  255.093   6.4949  179.825   2.2926  180.195   2.2968 -0.3706512 3.245214 
1 1 1   13   13    2 f   42.058   3.5852   14.022   2.3438   11.798   3.3356   16.192   3.2939   38.213   5.7396   45.063   4.7282 -6.850098 7.436336 
1 1 1   13   13    3 o  158.528   1.6407  197.323   4.0817  191.902   5.7250  202.926   5.8209  156.282   2.3343  160.711   2.3080 -4.428757 3.282688 
1 1 1   13   13    4 o  139.025   1.6950  151.770   3.6981  149.294   5.2245  154.258   5.2353  137.834   2.4154  140.109   2.3810 -2.275650 3.391645 
1 1 1   13   13    5 o   82.306   2.5089   53.295   3.2368   54.643   4.6027   51.976   4.5527   83.235   3.5318   81.168   3.5830 2.066742 5.031043 
1 1 1   13   13    6 o   43.566   3.3698   15.031   2.2860   14.654   3.2540   15.398   3.2122   42.785   4.9368   43.906   4.7369 -1.120388 6.841824 
1 1 1   13   13    7 o   72.951   2.2982   41.869   2.6277   41.648   3.7447   42.083   3.6883   72.657   3.2927   73.043   3.2256 -0.3865738 4.609417 
1 1 1   13   13    8 o   61.384   3.5658   29.795   3.4201   34.441   5.3044   26.490   4.4743   65.746   5.1830   57.642   4.9956 8.104233 7.198580 
1 1 1   13   13    9 o   31.249   5.4723   7.9695   2.5858   6.9200   3.8117   8.8644   3.5195   28.912   8.0864   32.691   7.0667 -3.779697 10.73905 
1 1 1   13   13   10 o  137.422   1.9651  148.428   4.2380  151.611   6.1704  145.586   5.8308  138.763   2.8336  135.995   2.7321 2.768311 3.936193 
1 1 1   13   13   11 o   20.238   6.8071   3.0939   2.5553   1.1596   3.8659   4.5949   3.4054   19.394   7.9530   24.166   7.8474 -4.771507 11.17284 
1 1 1   13   13   12 o   60.070   2.7931   28.492   2.6258   28.427   3.8011   28.552   3.6315   59.789   4.0755   59.958   3.8804 -0.1688538 5.627332 
1 1 1   13   13   13 o   70.503   2.3119   39.170   2.5544   36.409   3.6374   41.856   3.5881   67.794   3.4300   72.753   3.1502 -4.959068 4.657128 
1 1 1   13   13   14 o   69.095   2.3489   37.645   2.5432   35.094   3.6154   40.144   3.5782   66.514   3.4757   71.205   3.2104 -4.691803 4.731555 
1 1 1   13   13   15 o   69.783   2.3581   38.427   2.5787   40.797   3.7056   36.202   3.5906   71.714   3.3016   67.524   3.3994 4.190247 4.738818 
1 1 1   13   13   16 o   40.018   3.6670   12.832   2.2773   12.607   3.2373   13.051   3.2041   39.196   5.4070   39.943   5.2378 -0.7473221 7.527903 
1 1 1   13   13   17 o   25.739   5.7319   5.5933   2.2558   6.7750   3.2062   4.4350   3.1744   28.023   7.2396   23.223   7.5792 4.800333 10.48122 
1 1 1   13   13   18 o   84.208   2.1375   56.022   2.8224   55.965   3.9995   56.079   3.9835   83.872   3.0437   83.963   3.0282 -0.9088898E-01 4.293481 
1 1 1   13   13   19 o   19.766   6.3411   3.2331   2.2278   1.8749   3.1866   4.5315   3.1158   18.488   7.3473   23.116   7.5064 -4.628084 10.50375 
1 1 1   13   13   20 o   64.330   2.6862   32.953   2.7059   36.580   3.7211   28.883   3.9418   67.432   3.5287   59.565   4.2447 7.866413 5.519894 
1 1 1   13   13   21 o   28.190   5.5153   6.8219   2.3525   8.6766   3.2597   4.8060   3.3984   31.257   6.8361   23.438   7.8498 7.819269 10.40921 
1 1 1   13   13   22 o   25.792   6.2442   5.9298   2.5001   6.8518   3.7012   5.1562   3.3904   26.978   8.0976   23.809   7.8364 3.168699 11.26851 
1 1 1   13   13   23 o   23.402   6.3819   5.0245   2.4079   8.7974   3.4649   1.5003   3.3487   30.464   7.3358   17.447   7.2997 13.01651 10.34888 
1 1 1   13   13   24 o   14.397   6.0590   0.8731   2.3281  -0.8141   3.2873   2.5709   3.2976   14.353   6.5548   18.389   7.4173 -4.036264 9.898584 
1 1 1   13   13   25 o   22.288   6.3228   4.8716   2.3134   7.0294   3.3147   2.8227   3.2301   25.678   7.6528   18.213   7.3429 7.464556 10.60578 
1 1 1   13   13   26 o   12.644   5.6159   0.0823   2.2284   1.2628   3.2023  -1.0261   3.1030   15.791   6.8816   13.286   6.1744 2.505349 9.245529 
1 1 1   13   13   27 o   9.7135   4.6880  -2.4327   2.1477  -3.3516   3.0405  -1.5176   3.0342   11.241   5.4613   12.528   5.9118 -1.286474 8.048269 
1 1 1   13   13   28 o   19.762   6.3755   4.4407   2.2500   2.7406   3.0793   6.3881   3.2956   16.266   6.9125   21.819   7.7129 -5.553484 10.35720 
1 1 1   13   14    0 o   91.267   2.8988   65.633   4.1423   65.633   4.1423   65.633   4.1423   91.267   2.8988   91.267   2.8988 0.000000 0.000000 
1 1 1   13   14    1 o  103.730   1.9219   84.515   3.1286   84.194   4.4336   84.835   4.4154  103.441   2.7336  103.837   2.7120 -0.3955307 3.850635 
1 1 1   13   14    2 o   50.521   3.1281   20.160   2.4679   21.963   3.4759   18.327   3.5046   52.601   4.2469   47.949   4.7186 4.652481 6.348309 
1 1 1   13   14    3 f  104.580   2.0438   85.924   3.3543   87.055   4.7945   84.839   4.6944  105.160   2.9081  103.815   2.8843 1.345139 4.095833 
1 1 1   13   14    4 o  172.342   1.7552  233.276   4.7470  228.678   6.7053  237.895   6.7212  170.551   2.5053  173.960   2.4620 -3.408936 3.512550 
1 1 1   13   14    5 o   80.835   2.5584   51.433   3.2414   48.954   5.0951   53.118   4.2012   78.659   4.1422   82.070   3.2685 -3.410789 5.276472 
1 1 1   13   14    6 o   75.284   2.4381   44.611   2.8766   47.445   4.1515   41.993   3.9897   77.526   3.4207   72.916   3.4969 4.609421 4.891764 
1 1 1   13   14    7 o   25.619   5.7895   5.4189   2.2727   0.3467   3.1568   10.876   3.2744   16.788   7.0598   36.542   5.9118 -19.75381 9.208145 
1 1 1   13   14    8 o   66.521   2.7188   34.885   2.8322   34.098   3.9083   35.756   4.1100   65.615   3.8120   67.179   3.9155 -1.564484 5.464621 
1 1 1   13   14    9 o   64.380   2.7070   32.688   2.7288   34.831   3.9122   30.657   3.8083   66.305   3.7754   62.167   3.9236 4.137989 5.445004 
1 1 1   13   14   10 f   30.760   5.0886   7.7122   2.3706   7.4354   3.3412   7.9929   3.3639   29.816   7.2188   30.936   7.0822 -1.119989 10.11284 
1 1 1   13   14   11 o  115.129   1.9512  104.221   3.5252  104.114   5.0442  104.325   4.9285  114.941   2.7965  115.070   2.7293 -0.1282272 3.907601 
1 1 1   13   14   12 o   37.567   4.1808   11.326   2.4230   12.135   3.4787   10.564   3.3769   38.489   5.9512   35.784   6.2403 2.705620 8.623124 
1 1 1   13   14   13 o   47.129   3.4920   17.669   2.5643   19.662   3.6645   15.757   3.5895   49.447   4.7821   44.088   5.2938 5.358746 7.133906 
1 1 1   13   14   14 o   39.368   4.5160   12.516   2.7395   13.778   4.0441   11.446   3.7242   40.739   6.5474   37.022   6.6548 3.716976 9.335718 
1 1 1   13   14   15 o   50.633   3.6827   20.482   2.9062   17.540   4.2176   23.142   4.0103   46.155   5.9622   53.508   4.8277 -7.353031 7.671638 
1 1 1   13   14   16 o   43.531   4.1542   15.291   2.8035   11.730   3.9794   18.799   3.9502   37.080   7.0971   47.904   5.3456 -10.82366 8.885035 
1 1 1   13   14   17 o  110.743   2.2395   96.875   3.8921   93.504   5.5002  100.257   5.5082  108.360   3.2381  112.262   3.1296 -3.901695 4.503324 
1 1 1   13   14   18 o   17.862   6.6120   2.2234   2.4579   1.9546   3.4902   2.4878   3.4619   19.148   7.6628   19.896   7.7325 -0.7476578 10.88623 
1 1 1   13   14   19 o   91.150   2.3124   65.844   3.3049   65.573   4.8712   66.075   4.4988   90.421   3.4392   90.921   3.1578 -0.5002594 4.668997 
1 1 1   13   14   20 o   23.626   6.5464   4.9147   2.5109   2.7225   3.5478   7.1147   3.5541   20.094   7.8227   27.950   7.8050 -7.856052 11.05041 
1 1 1   13   14   21 f   20.341   6.6486   3.5659   2.4423   0.7549   3.4952   6.2479   3.4141   17.140   7.3266   26.011   7.7702 -8.871529 10.67966 
1 1 1   13   14   22 o   31.202   5.9626   8.6252   2.8132   7.9787   3.7968   9.4120   4.1889   28.733   8.0828   31.013   8.4007 -2.279903 11.65779 
1 1 1   13   14   23 o   25.323   5.9501   5.8943   2.3242   4.9431   3.2325   6.9124   3.3442   22.537   7.6558   26.340   7.6436 -3.802530 10.81834 
1 1 1   13   14   24 f   14.523   6.0485   1.1111   2.2837  -0.3158   3.1375   2.7188   3.3304   14.350   6.4943   18.323   7.4312 -3.973228 9.869073 
1 1 1   13   14   25 o   20.136   6.2981   4.0244   2.2100   4.6513   3.2290   3.4719   3.0312   20.901   7.6046   18.879   7.2627 2.021729 10.51554 
1 1 1   13   14   26 o   9.4435   4.5721  -2.6054   2.0836  -0.8035   3.0136  -4.2558   2.8841   13.206   6.1192   10.426   5.1190 2.780465 7.978047 
1 1 1   13   14   27 o   11.451   5.2603  -0.4735   2.1592  -0.3297   3.1146  -0.6067   2.9960   13.398   6.2123   12.960   6.0378 0.4372311 8.663037 
1 1 1   13   14   28 o   13.719   5.8050   1.5964   2.1558   2.4772   3.1093   0.7811   2.9917   15.466   6.7597   13.560   6.2153 1.906683 9.182791 
1 1 1   13   15    0 o   13.464   8.7778  -0.3860   4.5110  -0.3860   4.5110  -0.3860   4.5110   13.464   8.7778   13.464   8.7778 0.000000 0.000000 
1 1 1   13   15    1 o   93.934   2.8508   69.492   4.1976   71.717   6.0188   67.385   5.8571   95.252   4.0356   92.323   4.0525 2.929352 5.719182 
1 1 1   13   15    2 o   40.643   4.7040   13.232   2.9449   11.667   4.1264   14.856   4.2042   37.609   7.2545   42.741   6.4703 -5.132084 9.720709 
1 1 1   13   15    3 o   30.146   5.6106   7.4370   2.5566   9.9173   3.7103   5.1947   3.5278   34.637   7.0656   25.498   7.9546 9.139309 10.63950 
1 1 1   13   15    4 o   77.020   2.4329   46.696   2.9369   49.095   4.1916   44.383   4.1162   78.857   3.3951   74.954   3.5092 3.903114 4.882697 
1 1 1   13   15    5 o   18.911   6.6181   2.5456   2.4221   2.1842   3.5238   2.8691   3.3346   20.220   7.8170   21.002   7.7142 -0.7820091 10.98242 
1 1 1   13   15    6 o   72.423   2.4949   41.313   2.8313   39.096   3.9688   43.612   4.0404   70.302   3.6094   74.282   3.4757 -3.979919 5.010831 
1 1 1   13   15    7 o   94.988   2.1239   70.943   3.1660   69.861   4.4190   72.085   4.5383   94.118   2.9957   95.600   3.0288 -1.482361 4.260047 
1 1 1   13   15    8 o   29.083   5.8362   6.9790   2.5709   6.0132   3.4473   8.1894   3.8592   26.956   7.7419   31.236   7.8758 -4.280872 11.04375 
1 1 1   13   15    9 o  104.697   2.0615   86.206   3.3872   88.848   4.7271   83.418   4.8558  106.144   2.8404  102.815   3.0128 3.329163 4.140656 
1 1 1   13   15   10 o   68.405   2.5415   36.904   2.7235   37.760   4.0096   36.170   3.7110   68.996   3.7169   67.564   3.5121 1.432678 5.113696 
1 1 1   13   15   11 o  115.289   1.8952  104.532   3.4288  100.306   4.9232  108.512   4.7783  112.785   2.7816  117.345   2.5948 -4.560410 3.803931 
1 1 1   13   15   12 o   13.655   5.8567  -0.0544   2.2471  -3.4649   3.1872   3.3163   3.1686   12.817   6.0518   21.357   7.5617 -8.539085 9.685177 
1 1 1   13   15   13 o   12.280   5.5409  -1.0976   2.2639  -3.0654   3.2824   0.6879   3.1266   13.368   6.2580   16.983   7.0756 -3.614953 9.445999 
1 1 1   13   15   14 o   99.012   2.0327   77.233   3.1583   78.464   4.5699   76.107   4.3699   99.541   2.9287   98.059   2.8427 1.481804 4.081454 
1 1 1   13   15   15 o   51.879   3.1880   21.443   2.5830   18.847   3.6376   24.082   3.6683   48.129   4.8838   54.660   4.3114 -6.530933 6.514558 
1 1 1   13   15   16 o   92.989   2.1104   68.251   3.0796   72.476   4.4398   64.335   4.2752   95.505   2.9659   89.950   3.0330 5.554779 4.242157 
1 1 1   13   15   17 o   23.358   6.2437   4.6944   2.3327   6.1973   3.3814   3.3297   3.2222   26.546   7.6807   20.974   7.6016 5.572201 10.80640 
1 1 1   13   15   18 o   23.903   6.2307   4.9577   2.3607   2.8589   3.3477   7.0334   3.3294   20.209   7.6671   28.106   7.4350 -7.897011 10.68004 
1 1 1   13   15   19 o   48.288   3.8516   18.942   2.8945   18.945   3.9800   18.939   4.2173   47.511   5.4358   47.294   5.8038 0.2169991 7.951890 
1 1 1   13   15   20 o   14.169   6.1214   0.1168   2.4894  -1.6158   3.5454   1.8016   3.4962   14.809   6.7798   18.538   7.5781 -3.729254 10.16823 
1 1 1   13   15   21 o   14.032   6.0889   0.1143   2.4848  -0.7252   3.5721   0.9015   3.4589   15.530   6.9879   17.086   7.2956 -1.555714 10.10228 
1 1 1   13   15   22 o   26.868   6.3523   6.6796   2.6359   1.9394   3.5419   12.564   3.9463   18.124   7.5392   36.472   7.1504 -18.34825 10.39077 
1 1 1   13   15   23 o   44.531   3.7391   16.626   2.5889   16.250   3.6892   16.991   3.6339   42.321   5.6995   43.540   5.4365 -1.219322 7.876546 
1 1 1   13   15   24 o   31.579   5.2344   9.1147   2.5032   8.0785   3.5697   10.117   3.5113   27.134   7.9037   31.287   7.2875 -4.153732 10.75067 
1 1 1   13   15   25 o   12.204   5.5081  -0.2528   2.2388  -1.0094   3.1515   0.5181   3.1810   13.336   6.2061   14.853   6.6458 -1.516960 9.092992 
1 1 1   13   15   26 o   14.851   5.9827   1.7720   2.1425   1.7841   3.0351   1.7600   3.0247   15.818   6.7958   15.777   6.7812 0.4121113E-01 9.600416 
1 1 1   13   15   27 o   15.455   6.0503   2.4522   2.1319   5.4029   3.0778  -0.2694   2.9559   20.246   7.4154   12.795   5.9729 7.451034 9.521708 
1 1 1   13   16    0 o   64.628   3.7177   33.191   3.7417   33.191   3.7417   33.191   3.7417   64.628   3.7177   64.628   3.7177 0.000000 0.000000 
1 1 1   13   16    1 o  103.751   1.9820   84.602   3.2271   84.340   4.5660   84.863   4.5615  103.466   2.8147  103.788   2.8032 -0.3221664 3.972471 
1 1 1   13   16    2 o   80.944   2.2523   51.562   2.8582   53.025   4.0862   50.160   3.9993   81.966   3.1828   79.715   3.2035 2.250999 4.515786 
1 1 1   13   16    3 o   75.782   2.3636   45.217   2.8074   46.580   4.0136   43.911   3.9284   76.788   3.3386   74.546   3.3667 2.241623 4.741441 
1 1 1   13   16    4 o   42.031   3.8452   14.070   2.5082   14.428   3.5575   13.716   3.5369   42.249   5.4958   41.149   5.6242 1.100044 7.863581 
1 1 1   13   16    5 o   69.170   2.6852   37.728   2.9093   38.866   4.0715   36.542   4.1585   70.050   3.7171   67.882   3.9204 2.167999 5.402420 
1 1 1   13   16    6 o   65.567   2.8361   33.933   2.9113   37.292   4.1953   30.813   4.0434   68.564   3.9153   62.257   4.1626 6.307461 5.714597 
1 1 1   13   16    7 o  116.080   2.0422  105.966   3.7202  104.872   5.2245  107.092   5.2987  115.313   2.8893  116.562   2.8967 -1.248810 4.091380 
1 1 1   13   16    8 o   31.132   5.4716   7.9516   2.5756   8.4282   3.5607   7.4286   3.7301   31.684   7.3100   29.712   7.8743 1.972687 10.74431 
1 1 1   13   16    9 o   72.993   2.4999   42.017   2.8594   36.506   4.0952   47.260   3.9942   67.787   3.8657   77.277   3.3012 -9.490433 5.083514 
1 1 1   13   16   10 o   72.853   2.4694   41.867   2.8191   37.887   3.9956   45.811   3.9782   69.070   3.6997   76.049   3.3416 -6.978828 4.985374 
1 1 1   13   16   11 o   64.127   2.7037   32.505   2.7148   29.439   3.8360   35.582   3.8425   60.741   4.0474   66.897   3.6743 -6.155441 5.466444 
1 1 1   13   16   12 o   80.906   2.2991   51.643   2.9161   50.017   4.1351   53.252   4.1130   79.384   3.3267   81.949   3.2044 -2.564171 4.618954 
1 1 1   13   16   13 o   43.699   3.6739   15.292   2.4962   11.611   3.5609   18.847   3.5001   37.268   6.3138   48.265   4.6797 -10.99751 7.859033 
1 1 1   13   16   14 o   73.262   2.4907   42.471   2.8595   42.264   4.1037   42.666   3.9866   72.751   3.6057   73.139   3.4833 -0.3878174 5.013426 
1 1 1   13   16   15 o   90.075   2.3024   64.160   3.2518   62.012   4.5667   66.370   4.6315   88.190   3.3055   91.270   3.2388 -3.079102 4.627770 
1 1 1   13   16   16 o   72.865   2.4621   42.095   2.8113   38.802   3.9667   45.419   3.9850   69.522   3.6486   75.350   3.3786 -5.827667 4.972657 
1 1 1   13   16   17 o   18.363   6.5217   2.5758   2.3586   3.6575   3.3588   1.5236   3.3127   21.566   7.7684   18.118   7.3878 3.447712 10.72048 
1 1 1   13   16   18 o   58.120   3.1410   27.095   2.8542   30.424   4.0415   23.784   4.0313   61.059   4.2442   53.639   4.8412 7.419712 6.438225 
1 1 1   13   16   19 o   30.655   6.7933   8.3890   3.1821   16.251   4.5908   1.1184   4.4147   42.783   7.0856   19.205   8.2224 23.57737 10.85419 
1 1 1   13   16   20 o   17.650   6.6386   2.2999   2.4973  -2.6511   3.5293   7.2650   3.5343   13.786   6.4648   27.759   7.7948 -13.97333 10.12677 
1 1 1   13   16   21 o   12.562   5.6422  -0.5809   2.3170  -4.0571   3.3000   2.7985   3.2538   12.073   5.8229   19.125   7.4782 -7.052088 9.477847 
1 1 1   13   16   22 o   25.596   6.0284   6.1150   2.3812   9.0526   3.4297   3.3810   3.3087   30.236   7.3095   19.590   7.5743 10.64567 10.52610 
1 1 1   13   16   23 o   30.216   5.6555   8.5001   2.5832   12.129   3.7123   5.0937   3.5967   34.809   7.0381   21.835   8.0131 12.97414 10.66506 
1 1 1   13   16   24 o   13.702   6.0195   0.4883   2.4941  -1.6712   3.5384   2.6208   3.5161   13.545   6.3895   17.740   7.4548 -4.195096 9.818332 
1 1 1   13   16   25 o   16.136   6.4170   2.2819   2.4324   7.7185   3.4345  -3.1890   3.4454   25.753   7.8158   12.173   5.8903 13.57923 9.786862 
1 1 1   13   16   26 o   12.093   5.4471   0.1278   2.1768   0.2138   3.1155   0.0458   3.0427   13.723   6.3094   13.464   6.2067 0.2585001 8.850485 
1 1 1   13   16   27 o   11.220   5.1800  -0.1772   2.1310  -0.0527   3.0526  -0.2956   2.9763   12.751   5.9901   12.454   5.8704 0.2971954 8.387073 
1 1 1   13   17    0 o   73.672   3.4632   42.998   3.9837   42.998   3.9837   42.998   3.9837   73.672   3.4632   73.672   3.4632 0.000000 0.000000 
1 1 1   13   17    1 o   38.966   4.1524   12.151   2.5001   12.751   3.4373   11.477   3.6430   39.601   5.6946   37.351   6.4480 2.249928 8.602622 
1 1 1   13   17    2 o   61.089   2.8345   29.467   2.7100   31.073   3.8211   27.842   3.8440   62.562   3.9116   59.158   4.1672 3.403370 5.715463 
1 1 1   13   17    3 o   60.223   2.8434   28.643   2.6796   32.408   3.7998   24.919   3.7795   63.911   3.8058   55.911   4.3415 7.999783 5.773457 
1 1 1   13   17    4 o   60.858   2.8385   29.253   2.7035   26.642   3.8068   31.909   3.8400   57.837   4.2232   63.393   3.8785 -5.556118 5.733999 
1 1 1   13   17    5 o   26.074   6.0638   5.6582   2.4342   4.2749   3.4176   7.0824   3.4678   23.513   7.8719   29.039   7.5429 -5.526272 10.90234 
1 1 1   13   17    6 o   91.882   2.1867   66.432   3.1530   65.176   4.4512   67.697   4.4669   90.820   3.1277   92.572   3.0791 -1.751717 4.389057 
1 1 1   13   17    7 o   36.828   4.3119   10.909   2.4449   12.704   3.5785   9.3383   3.3481   39.378   5.9786   33.492   6.6050 5.885963 8.908957 
1 1 1   13   17    8 o  103.352   2.0392   84.052   3.3074   80.183   4.6971   87.857   4.6578  100.742   2.9743  105.493   2.8160 -4.751801 4.095937 
1 1 1   13   17    9 o   52.211   3.2085   21.634   2.6162   22.629   3.7159   20.656   3.6840   53.119   4.5000   50.686   4.6845 2.432587 6.495718 
1 1 1   13   17   10 o   90.653   2.2044   64.746   3.1360   61.169   4.4107   68.404   4.4597   87.857   3.2044   92.953   3.0615 -5.096092 4.431837 
1 1 1   13   17   11 o   75.396   2.6971   44.969   3.1861   48.329   4.4729   41.507   4.5394   77.901   3.6691   72.070   4.0297 5.831032 5.449871 
1 1 1   13   17   12 o   38.209   4.6461   11.881   2.7287   12.534   3.8955   11.252   3.8234   38.573   6.6770   36.406   6.9455 2.167469 9.634424 
1 1 1   13   17   13 o   57.463   3.5032   26.395   3.1441   26.391   4.3814   26.398   4.5144   56.945   4.9521   56.886   5.1114 0.5837631E-01 7.116845 
1 1 1   13   17   14 o   57.302   3.5298   26.307   3.1587   27.750   4.4625   24.858   4.4718   58.303   4.9233   55.018   5.2426 3.284729 7.191900 
1 1 1   13   17   15 o   37.155   5.1732   11.474   2.9347   13.500   4.1162   9.3806   4.1853   39.578   6.8766   32.297   8.2339 7.281147 10.72780 
1 1 1   13   17   16 o   10.629   5.0859  -3.0613   2.4061  -9.0659   3.3930   3.0131   3.4127   10.065   5.0417   20.524   7.7515 -10.45975 9.246859 
1 1 1   13   17   17 o   54.973   3.1251   24.247   2.6849   23.012   3.7590   25.534   3.8362   52.891   4.5737   55.816   4.4156 -2.925320 6.357373 
1 1 1   13   17   18 o   21.191   6.6247   3.9124   2.4455   6.6552   3.4483   1.1371   3.4686   26.914   7.7470   17.635   7.4071 9.279406 10.71825 
1 1 1   13   17   19 o   14.852   6.1816   0.8157   2.3831   1.9331   3.3828  -0.2853   3.3579   18.368   7.4746   15.578   6.9075 2.790137 10.17757 
1 1 1   13   17   20 o   14.414   6.0540   0.7321   2.3171   1.6508   3.3132  -0.1474   3.2416   17.592   7.3026   15.272   6.7786 2.320076 9.963802 
1 1 1   13   17   21 o   11.690   5.4135  -1.3066   2.3534  -5.6478   3.3262   3.0451   3.3302   11.059   5.4431   19.153   7.5426 -8.093865 9.301500 
1 1 1   13   17   22 o   22.559   6.4203   4.9968   2.3814   7.4362   3.3874   2.6130   3.3485   26.470   7.6961   18.069   7.4047 8.401127 10.67984 
1 1 1   13   17   23 o   16.796   6.4609   2.5130   2.3987   0.7373   3.5025   4.0816   3.2919   15.632   6.9854   19.812   7.5821 -4.179832 10.30946 
1 1 1   13   17   24 o   12.947   5.7386   0.2674   2.3150   2.5879   3.2919  -2.0032   3.2563   17.300   7.2377   12.648   6.0139 4.652351 9.410199 
1 1 1   13   17   25 o   13.131   5.7542   0.6771   2.2661   1.5360   3.2345  -0.1509   3.1758   15.465   6.8221   13.691   6.3219 1.773782 9.300897 
1 1 1   13   17   26 o   14.197   5.9556   1.8286   2.2379  -0.6672   3.1608   4.3373   3.1690   12.572   5.9627   18.007   7.2684 -5.435371 9.401240 
1 1 1   13   18    0 o   32.482   7.9819   9.7539   3.5231   9.7539   3.5231   9.7539   3.5231   32.482   7.9819   32.482   7.9819 0.000000 0.000000 
1 1 1   13   18    1 o   49.741   3.4233   19.643   2.6559   21.233   3.7361   18.018   3.7761   51.474   4.6760   47.267   5.1753 4.207401 6.974877 
1 1 1   13   18    2 o   33.774   4.9403   9.2678   2.5410   10.912   3.6200   7.6707   3.5677   36.285   6.6003   30.163   7.5543 6.122252 10.03149 
1 1 1   13   18    3 o   48.237   3.4726   18.490   2.6111   20.371   3.6612   16.542   3.7250   50.397   4.6828   45.209   5.3543 5.188435 7.113161 
1 1 1   13   18    4 o   74.815   2.4917   44.146   2.9213   39.378   4.1103   49.014   4.1528   70.425   3.7325   78.672   3.3715 -8.247040 5.029741 
1 1 1   13   18    5 o   73.606   2.5147   42.744   2.9005   41.425   4.0687   44.108   4.1359   72.253   3.5996   74.575   3.5442 -2.321327 5.051599 
1 1 1   13   18    6 f   39.674   4.1593   12.636   2.5511   12.048   3.6468   13.199   3.5701   38.181   6.3063   40.138   5.8389 -1.956306 8.594316 
1 1 1   13   18    7 o   70.066   2.6473   38.784   2.9055   42.586   4.1790   35.227   4.0425   73.204   3.6492   66.504   3.8904 6.700523 5.334044 
1 1 1   13   18    8 o   95.373   2.3707   71.714   3.5482   75.223   4.9205   67.913   5.1213   97.429   3.2226   92.476   3.5355 4.953293 4.783786 
1 1 1   13   18    9 o   46.163   3.9366   17.082   2.8246   14.287   4.0090   19.837   3.9803   41.466   6.3638   49.400   5.2129 -7.934093 8.226297 
1 1 1   13   18   10 o   80.321   2.5811   51.026   3.2492   47.612   4.5443   54.596   4.6474   77.240   3.7604   82.785   3.5858 -5.545341 5.195971 
1 1 1   13   18   11 o   46.638   3.8778   17.482   2.8125   19.772   3.9673   15.168   3.9877   49.165   5.2217   42.658   6.1329 6.507557 8.054681 
1 1 1   13   18   12 o   56.902   3.0805   25.797   2.7405   26.132   3.9261   25.478   3.8270   56.815   4.4387   56.118   4.3803 0.6970062 6.236116 
1 1 1   13   18   13 o   49.373   3.4355   19.549   2.6453   21.215   3.7436   17.887   3.7384   50.965   4.7348   46.572   5.2038 4.393215 7.035487 
1 1 1   13   18   14 o   67.004   2.7171   35.711   2.8511   36.144   4.0000   35.264   4.0649   66.969   3.8220   66.093   3.9369 0.8757629 5.486985 
1 1 1   13   18   15 o   20.723   6.7746   3.6024   2.5357  -0.1859   3.5497   7.5499   3.6236   16.426   7.1997   28.933   7.8031 -12.50724 10.61717 
1 1 1   13   18   16 o   48.216   3.5065   18.790   2.6351   18.244   3.7088   19.346   3.7447   46.740   5.1411   48.208   5.0234 -1.468376 7.187910 
1 1 1   13   18   17 o   24.830   6.4922   5.4906   2.5578   9.2163   3.4978   1.2084   3.7499   31.947   7.1549   18.198   7.6759 13.74921 10.49343 
1 1 1   13   18   18 o   21.304   6.8241   4.0313   2.5809   0.5060   3.5924   7.7920   3.7104   16.905   7.3286   28.654   7.9649 -11.74854 10.82348 
1 1 1   13   18   19 o   14.883   6.3124   0.6862   2.5592   3.5660   3.6309  -2.1570   3.6077   20.746   7.9571   14.184   6.6137 6.562644 10.34683 
1 1 1   13   18   20 f   25.777   6.6345   6.3536   2.6995   6.5800   3.8328   6.1307   3.8026   25.120   8.3345   24.349   8.3030 0.7711067 11.76453 
1 1 1   13   18   21 o   14.282   6.1445   0.7246   2.4879  -2.8946   3.6724   3.7945   3.3823   13.232   6.3182   19.884   7.6660 -6.652400 9.934152 
1 1 1   13   18   22 o   13.239   5.8880   0.1441   2.4581   1.2814   3.6096  -0.8394   3.3568   16.358   7.2117   13.945   6.4602 2.413195 9.682120 
1 1 1   13   18   23 o   10.238   4.9716  -3.0888   2.5120  -1.2339   3.5796  -4.8885   3.5259   13.808   6.4866   11.433   5.6229 2.375010 8.584468 
1 1 1   13   18   24 o   32.368   5.3518   10.044   2.6235   10.707   3.6966   9.3706   3.7239   30.381   7.7345   27.719   8.0723 2.662157 11.17962 
1 1 1   13   18   25 o   10.457   5.0098  -1.6680   2.3499  -0.8198   3.2440  -2.6045   3.4086   12.710   6.0318   11.789   5.7398 0.9216013 8.326347 
1 1 1   13   18   26 o   14.036   5.9591   1.9461   2.2847   5.6122   3.2178  -1.7810   3.2445   19.177   7.4544   11.610   5.6409 7.566715 9.348144 
1 1 1   13   19    0 o   33.885   7.5479   10.384   3.5068   10.384   3.5068   10.384   3.5068   33.885   7.5479   33.885   7.5479 0.000000 0.000000 
1 1 1   13   19    1 o   20.888   6.6804   3.4827   2.4741   6.9734   3.5649   0.2392   3.4363   28.686   7.7410   17.156   7.2969 11.53028 10.63807 
1 1 1   13   19    2 o   24.623   6.6248   5.0829   2.6157   5.4057   3.5643   4.7063   3.8505   25.621   7.9960   24.561   8.3554 1.060244 11.56502 
1 1 1   13   19    3 o   28.596   6.2951   6.8565   2.7483   7.8343   3.7904   5.7727   3.9906   30.313   7.8919   26.517   8.4847 3.796562 11.58762 
1 1 1   13   19    4 o   78.551   2.7156   48.761   3.3425   53.306   4.7004   44.113   4.7541   81.898   3.6665   74.369   4.0893 7.529068 5.492298 
1 1 1   13   19    5 o   40.857   4.7256   13.516   2.9742   14.942   4.2580   12.157   4.1561   42.403   6.6147   37.957   7.2414 4.445602 9.807764 
1 1 1   13   19    6 o   38.060   4.7513   11.768   2.7762   13.338   4.0201   10.337   3.8385   39.960   6.6438   34.885   7.2485 5.075012 9.832658 
1 1 1   13   19    7 f   47.585   3.9169   18.152   2.8991   16.460   4.1023   19.841   4.0975   44.658   6.0058   49.318   5.3814 -4.660847 8.064072 
1 1 1   13   19    8 o   33.336   5.7662   9.2593   2.9074   9.8461   3.9950   8.5986   4.2394   33.758   7.7107   31.373   8.4310 2.384750 11.42528 
1 1 1   13   19    9 o   57.596   3.4559   26.487   3.1093   24.066   4.2866   29.175   4.5168   54.343   5.0855   59.974   4.8401 -5.631050 7.020640 
1 1 1   13   19   10 o   57.953   3.5279   26.873   3.1933   29.106   4.5520   24.710   4.4808   59.799   4.8934   54.911   5.2642 4.887970 7.187294 
1 1 1   13   19   11 o   37.691   5.2787   11.785   3.0368   15.790   4.4099   8.1726   4.1880   43.065   6.7465   30.245   8.4823 12.81982 10.83813 
1 1 1   13   19   12 o   27.423   6.7517   6.5549   2.8858   8.9990   4.0327   3.9896   4.1315   31.687   8.0846   22.999   8.5613 8.687777 11.77528 
1 1 1   13   19   13 o   39.724   4.8991   13.065   2.9894   15.912   4.1867   10.103   4.2698   43.173   6.3706   33.381   8.2089 9.791710 10.39088 
1 1 1   13   19   14 o   35.171   5.5471   10.475   2.9603   13.175   4.2371   7.8998   4.1378   38.619   7.2578   29.293   8.5027 9.325525 11.17904 
1 1 1   13   19   15 o   21.615   7.3097   3.9787   2.9466   9.1080   4.1580  -1.1958   4.1763   31.272   8.3256   16.595   7.5034 14.67720 11.20787 
1 1 1   13   19   16 o   16.370   6.8163   1.0381   2.8994  -2.9816   4.0374   5.3190   4.1665   14.766   6.9213   24.421   8.6686 -9.654967 11.09280 
1 1 1   13   19   17 o   36.202   5.4759   11.303   3.0139   10.075   4.2904   12.500   4.2347   32.279   8.3927   36.671   7.6081 -4.392437 11.32789 
1 1 1   13   19   18 o   32.687   6.3645   9.6940   3.1473   9.8164   4.5865   9.5851   4.3266   30.914   8.9457   30.810   8.6145 0.1035767 12.41915 
1 1 1   13   19   19 o   16.973   6.8853   1.9462   2.8599   0.8733   4.1094   2.9539   3.9826   17.404   7.6831   19.593   8.0574 -2.188528 11.13337 
1 1 1   13   19   20 o   14.598   6.4274   0.4326   2.8585  -0.4801   4.1038   1.2928   3.9839   15.764   7.2455   17.216   7.5838 -1.451835 10.48860 
1 1 1   13   19   21 o   12.004   5.6043  -1.3046   2.6039  -5.4987   3.6239   3.1721   3.7441   11.451   5.6450   18.679   7.7592 -7.227940 9.595420 
1 1 1   13   19   22 f   11.411   5.4014  -1.7423   2.5694   0.1360   3.6201  -3.6490   3.6474   14.997   6.8601   12.327   5.9872 2.669570 9.105372 
1 1 1   13   19   23 o   21.505   7.1185   5.2260   2.7964   8.6195   3.9733   1.8952   3.9364   25.852   8.4819   16.663   7.4285 9.188631 11.27497 
1 1 1   13   19   24 o   17.464   6.8814   3.5631   2.7734   5.4620   3.9044   1.6292   3.9402   19.580   8.0067   15.534   7.1249 4.046375 10.71780 
1 1 1   13   19   25 o   12.749   5.8593   0.5852   2.6832   1.2787   3.7306  -0.1579   3.8620   14.252   6.6715   13.355   6.4044 0.8964729 9.247977 
1 1 1   13   20    0 f   21.959   9.8082   5.6596   3.5907   5.6596   3.5907   5.6596   3.5907   21.959   9.8082   21.959   9.8082 0.000000 0.000000 
1 1 1   13   20    1 o   18.431   6.9631   2.1282   2.7544   4.2012   3.9326   0.1321   3.8590   23.630   8.4183   17.862   7.6683 5.767757 11.38726 
1 1 1   13   20    2 o   20.329   7.0742   3.1203   2.7651   2.8264   4.0294   3.3819   3.8014   21.630   8.3597   22.144   8.2181 -0.5141544 11.72274 
1 1 1   13   20    3 o   53.245   3.6557   22.644   3.0361   20.373   4.3530   24.796   4.2368   49.873   5.6618   55.343   4.9299 -5.469585 7.507329 
1 1 1   13   20    4 o   39.534   4.9413   12.753   2.9989   15.124   4.1537   10.171   4.3341   42.590   6.4135   34.200   8.1847 8.390049 10.39821 
1 1 1   13   20    5 f   33.676   5.1756   9.3497   2.6478   7.2634   3.7618   11.398   3.7274   28.949   8.0097   36.722   6.7154 -7.773298 10.45241 
1 1 1   13   20    6 f   28.537   6.0599   6.8906   2.6299   10.072   3.7116   3.6836   3.7268   34.270   7.1337   22.397   8.1666 11.87295 10.84362 
1 1 1   13   20    7 o   14.610   6.3406  -0.1750   2.6952   1.0701   4.0577  -1.1580   3.6054   19.182   8.0312   15.782   7.0671 3.400932 10.69789 
1 1 1   13   20    8 o   16.030   6.4903   1.0848   2.5356   0.6290   3.5893   1.5388   3.5825   17.677   7.4856   18.841   7.6826 -1.163502 10.72644 
1 1 1   13   20    9 o   22.697   6.7624   4.3957   2.5886   6.2745   3.7179   2.6281   3.6062   26.760   8.1340   20.384   7.9003 6.376738 11.33914 
1 1 1   13   20   10 o   15.562   6.4080   0.8592   2.5232   1.0656   3.6011   0.6603   3.5364   18.130   7.5764   17.495   7.4202 0.6347218 10.60477 
1 1 1   13   20   11 o   16.535   6.5428   1.4823   2.5167   2.7262   3.5528   0.2295   3.5654   20.294   7.8480   16.975   7.3298 3.318928 10.73855 
1 1 1   13   20   12 o   20.228   6.8791   3.3547   2.6099   1.2634   3.5621   5.7788   3.8351   18.161   7.5581   25.526   8.3306 -7.364977 11.24823 
1 1 1   13   20   13 o   25.078   6.8033   5.5848   2.7448   5.7136   3.8440   5.4508   3.9206   25.265   8.3453   24.828   8.4315 0.4371414 11.86312 
1 1 1   13   20   14 o   16.708   6.7495   1.4401   2.7352   1.2343   3.9503   1.6297   3.7909   18.597   7.8629   18.819   7.8116 -0.2220974 11.08365 
1 1 1   13   20   15 o   27.754   6.3897   6.8778   2.7254  -0.0865   3.8929   13.572   3.8168   16.908   7.4704   39.269   6.4148 -22.36078 9.846678 
1 1 1   13   20   16 o   24.830   6.6835   5.6432   2.6614   4.7538   3.7273   6.5684   3.8015   22.935   8.1928   26.127   8.2723 -3.191765 11.64278 
1 1 1   13   20   17 o   11.908   5.5462  -1.6979   2.5250   0.4433   3.5636  -3.8568   3.5782   16.451   7.2120   12.831   6.1560 3.619704 9.482079 
1 1 1   13   20   18 f   32.336   5.3642   9.3505   2.6267   12.090   3.7416   6.6886   3.6883   35.457   6.9730   25.294   8.1632 10.16306 10.73593 
1 1 1   13   20   19 o   12.511   5.6786  -0.5381   2.4197  -0.7684   3.4800  -0.3225   3.3668   14.467   6.6577   14.675   6.6754 -0.2079029 9.427884 
1 1 1   13   20   20 o   12.024   5.5427  -0.8468   2.4262  -0.9639   3.4202  -0.7282   3.4423   13.929   6.4762   14.166   6.5557 -0.2374916 9.215117 
1 1 1   13   20   21 o   13.678   6.1874   0.0434   2.8443  -0.3343   4.0052   0.4277   4.0400   15.097   7.0154   15.752   7.2212 -0.6558447 10.06784 
1 1 1   13   20   22 o   21.242   6.5716   4.8534   2.4134   5.0087   3.4230   4.7000   3.4031   20.501   7.7586   20.019   7.6969 0.4818001 10.92880 
1 1 1   13   20   23 o   11.663   5.3959  -0.4435   2.3306  -1.2423   3.2569   0.3948   3.3363   12.603   5.9988   14.022   6.4763 -1.418931 8.827673 
1 1 1   13   20   24 o   20.947   6.6676   5.5564   2.4669   6.6943   3.3841   4.2662   3.6035   20.832   7.7497   17.140   7.3848 3.692099 10.70478 
1 1 1   13   21    0 o   65.757   4.0981   34.664   4.1908   34.664   4.1908   34.664   4.1908   65.757   4.0981   65.757   4.0981 0.000000 0.000000 
1 1 1   13   21    1 o   19.329   6.8113   2.8083   2.5685   0.2220   3.6341   5.3897   3.6308   17.344   7.4435   25.258   8.0943 -7.914572 10.99649 
1 1 1   13   21    2 f   37.828   4.6688   11.692   2.7128   14.780   3.7907   8.4505   3.8840   42.143   5.8926   31.040   7.9419 11.10359 9.889172 
1 1 1   13   21    3 o   31.241   5.6287   8.1820   2.6581   3.4556   3.7466   12.972   3.7717   21.972   8.1578   39.243   6.3406 -17.27133 10.33217 
1 1 1   13   21    4 o   20.824   7.4554   3.2683   3.0883  -1.0245   4.5541   6.9231   4.2020   17.928   7.9915   28.110   8.6671 -10.18178 11.78906 
1 1 1   13   21    5 o   23.773   6.7729   4.8503   2.6487   3.0429   3.7237   6.7014   3.7684   21.222   8.0780   27.622   8.1414 -6.400465 11.46893 
1 1 1   13   21    6 o   32.454   5.4865   8.8296   2.6948   9.7032   3.8129   7.9578   3.8091   33.265   7.4854   29.950   7.9663 3.314985 10.93134 
1 1 1   13   21    7 o   29.048   6.7000   7.3267   2.9919   6.3844   4.4435   8.1083   4.0467   27.031   8.9742   30.065   8.3032 -3.033464 12.22617 
1 1 1   13   21    8 o   18.581   7.2620   2.0820   3.0671   4.1258   4.3936   0.1392   4.2836   23.409   8.8052   18.334   7.9747 5.074646 11.87970 
1 1 1   13   21    9 o   23.470   7.2794   4.7827   2.9591   2.9979   4.2989   6.3898   4.0792   21.642   8.5551   26.744   8.5805 -5.102060 12.11674 
1 1 1   13   21   10 o   26.245   7.2185   6.1333   3.0655   12.877   4.3839  -0.3201   4.2884   37.982   7.6201   17.746   7.8406 20.23583 10.93352 
1 1 1   13   21   11 o   15.978   6.8422   0.4069   3.0582  -3.5783   4.3145   4.4307   4.3353   15.069   7.0923   23.464   8.7630 -8.394581 11.27345 
1 1 1   13   21   12 o   18.446   6.9878   2.4164   2.7783   1.8813   3.9546   2.9378   3.9040   19.411   8.0106   20.750   8.1681 -1.338942 11.44057 
1 1 1   13   21   13 o   20.617   6.9550   3.6375   2.6675   3.0975   3.8469   4.1376   3.7022   20.777   8.1292   22.237   8.1347 -1.460297 11.50032 
1 1 1   13   21   14 f   27.793   6.1638   6.8900   2.6179   5.3364   3.7595   8.3525   3.6476   24.052   8.2543   29.763   7.7386 -5.710390 11.31455 
1 1 1   13   21   15 o   29.881   5.7310   7.8933   2.5897   6.4199   3.6502   9.3865   3.6746   25.751   8.0998   31.455   7.5419 -5.704109 11.06742 
1 1 1   13   21   16 o   11.659   5.4633  -1.8704   2.5123   2.7767   3.6027  -6.2693   3.5051   19.267   7.7593   11.243   5.5442 8.023346 9.536483 
1 1 1   13   21   17 o   24.510   6.5969   5.8220   2.5931   5.7182   3.6869   5.9237   3.6477   23.396   8.1669   23.773   8.1315 -0.3771572 11.52472 
1 1 1   13   21   18 o   10.702   5.2376  -4.3176   2.9452  -3.5252   4.1412  -5.1287   4.1895   13.614   6.5551   12.836   6.2744 0.7782507 9.073956 
1 1 1   13   21   19 o   16.717   6.6146   2.4297   2.5721   4.0009   3.5541   0.7017   3.7273   19.614   7.7707   15.825   7.1279 3.789111 10.54474 
1 1 1   13   21   20 o   12.215   5.6654  -0.8778   2.5927  -4.2196   3.6187   2.6473   3.7166   11.915   5.8257   17.579   7.5357 -5.664414 9.524971 
1 1 1   13   21   21 o   9.5482   4.7070  -4.0422   2.5205  -2.0346   3.5288  -6.1331   3.6013   12.906   6.1710   10.841   5.3936 2.064468 8.195822 
1 1 1   13   21   22 o   15.956   6.4980   2.5805   2.5589  -1.0649   3.5838   6.3716   3.6548   13.205   6.2874   21.343   8.0302 -8.138409 10.19882 
1 1 1   13   21   23 o   15.204   6.3384   2.5883   2.5115   1.3802   3.5431   3.8083   3.5605   14.301   6.6293   16.662   7.2588 -2.361502 9.830429 
1 1 1   13   22    0 o   43.798   7.2430   16.742   4.5695   16.742   4.5695   16.742   4.5695   43.798   7.2430   43.798   7.2430 0.000000 0.000000 
1 1 1   13   22    1 o   55.663   3.9224   25.001   3.4044   25.626   4.8750   24.407   4.7562   55.544   5.6724   54.192   5.6769 1.351879 8.025162 
1 1 1   13   22    2 o   14.498   6.5730  -1.4170   3.2313  -1.3144   4.7727  -1.5039   4.3908   17.962   8.0802   17.044   7.7011 0.9180470 11.16231 
1 1 1   13   22    3 o   30.108   6.9965   7.9334   3.2427   9.4352   4.8342   6.7050   4.3722   32.056   9.1555   27.493   8.8891 4.563108 12.76082 
1 1 1   13   22    4 o   21.454   7.8472   3.5029   3.4449   5.7180   5.5241   2.0932   4.4068   26.509   9.8934   20.728   8.4945 5.780939 13.03982 
1 1 1   13   22    5 o   33.205   6.3599   9.4956   3.1934   4.8323   4.4336   14.523   4.6036   24.426   8.9073   40.644   7.4936 -16.21780 11.64015 
1 1 1   13   22    6 o   28.029   6.9177   6.9276   3.0240   11.366   4.3151   2.6440   4.2392   35.552   7.9355   21.080   8.4420 14.47149 11.58620 
1 1 1   13   22    7 o   42.122   5.1090   14.777   3.3082   15.431   4.4662   13.982   4.9243   42.044   7.0161   39.243   8.2580 2.801159 10.83610 
1 1 1   13   22    8 o   24.105   7.4819   5.1358   3.1253   10.098   4.3250  -0.2865   4.5212   33.098   8.3334   18.164   8.0368 14.93432 11.57737 
1 1 1   13   22    9 o   12.912   5.9886  -2.0087   2.8974  -1.6415   4.0806  -2.3819   4.1146   16.027   7.3131   15.493   7.1689 0.5337801 10.24082 
1 1 1   13   22   10 o   15.770   6.7637   0.4102   2.9970   4.5749   4.2060  -3.8852   4.2716   23.402   8.6519   14.689   6.9566 8.712140 11.10173 
1 1 1   13   22   11 f   10.330   5.1309  -7.1389   3.2077  -8.9688   4.9120  -5.7784   4.2356   13.303   6.5605   13.422   6.5033 -0.1189365 9.237587 
1 1 1   13   22   12 o   11.370   5.4965  -4.1185   2.9819   1.6979   4.2638  -9.6865   4.1718   19.358   8.1761   11.451   5.7140 7.907350 9.974883 
1 1 1   13   22   13 o   12.502   5.8606  -2.2412   2.8960  -3.5399   4.2436  -1.1091   3.9621   14.594   6.9179   15.877   7.2298 -1.283085 10.00637 
1 1 1   13   22   14 o   14.874   6.5217   0.1448   2.9149   5.7940   4.1565  -5.3222   4.0889   24.308   8.6551   13.074   6.3476 11.23324 10.73326 
1 1 1   13   22   15 o   12.878   5.9597  -1.3871   2.8456  -1.1587   4.1032  -1.5987   3.9497   15.602   7.1976   14.985   6.9645 0.6171227 10.01551 
1 1 1   13   22   16 o   14.415   6.4733  -0.0989   3.0484   0.4865   4.4145  -0.6326   4.2146   17.099   7.7244   15.894   7.3189 1.204760 10.64110 
1 1 1   13   22   17 o   12.950   6.0211  -1.1837   2.9563  -0.6574   4.2341  -1.6844   4.1294   15.563   7.2257   14.664   6.9130 0.8989239 10.00004 
1 1 1   13   22   18 o   13.594   6.2548  -0.5144   3.0700  -0.5538   4.6301  -0.4835   4.1011   15.817   7.4134   15.211   7.0789 0.6058588 10.25033 
1 1 1   13   22   19 f   11.840   5.6323  -1.9275   2.8617  -1.3542   4.0986  -2.4730   3.9974   14.374   6.8091   13.511   6.4886 0.8628235 9.405641 
1 1 1   13   22   20 o   9.0951   4.5498  -5.8373   2.7197  -7.1254   4.0125  -4.7425   3.6990   11.141   5.5663   11.612   5.7202 -0.4708767 7.981481 
1 1 1   13   22   21 o   13.814   6.1211   1.0591   2.6322  -2.1051   3.7079   4.2734   3.7372   12.659   6.1219   18.223   7.6734 -5.564067 9.816240 
1 1 1   13   22   22 o   11.008   5.2758  -1.2920   2.6118  -4.6527   3.6359   2.2906   3.7541   10.803   5.3817   15.124   6.9435 -4.321547 8.784946 
1 1 1   13   23    0 o   36.010   7.9080   11.986   3.9113   11.986   3.9113   11.986   3.9113   36.010   7.9080   36.010   7.9080 0.000000 0.000000 
1 1 1   13   23    1 o   27.256   6.4955   6.5153   2.7387   7.9423   3.8212   5.0080   3.9273   29.534   8.0335   24.206   8.4303 5.328302 11.64501 
1 1 1   13   23    2 o   25.850   6.9788   5.9273   2.8966   9.4431   4.1510   2.5904   4.0440   32.104   8.2083   20.651   8.2537 11.45336 11.64042 
1 1 1   13   23    3 o   18.258   7.0595   2.1609   2.8743   0.7998   4.0573   3.5321   4.0724   18.451   7.8908   21.976   8.4275 -3.524925 11.54496 
1 1 1   13   23    4 o   12.192   5.7430  -2.6773   2.8405  -2.7521   3.9547  -2.5976   4.0824   14.901   6.9403   15.301   7.1009 -0.3996582 9.929236 
1 1 1   13   23    5 o   29.660   6.5068   7.7373   2.9452   14.668   4.1813   0.9127   4.1491   40.994   6.7331   18.676   7.9831 22.31713 10.44338 
1 1 1   13   23    6 o   16.989   6.9452   1.3494   2.9368  -1.9757   4.1240   4.7707   4.1832   15.819   7.2680   23.767   8.6544 -7.948209 11.30143 
1 1 1   13   23    7 o   62.171   3.6609   31.334   3.5560   33.519   5.0656   29.212   4.9930   63.344   5.1400   58.879   5.4661 4.464127 7.503251 
1 1 1   13   23    8 o   20.820   7.2809   3.6402   2.9311   2.5733   3.8728   5.0709   4.4847   20.106   8.0630   24.212   8.9370 -4.105963 12.03674 
1 1 1   13   23    9 f   18.394   6.9543   2.4826   2.7485   3.9735   3.8620   0.9524   3.9125   22.025   8.2615   18.059   7.7364 3.965986 11.31831 
1 1 1   13   23   10 o   41.946   4.4142   14.665   2.8622   11.298   3.9640   18.332   4.1370   34.932   7.4581   45.976   5.8673 -11.04430 9.489407 
1 1 1   13   23   11 o   15.062   6.5315   0.2939   2.8554  -2.5802   4.1801   2.8082   3.9098   15.120   7.0730   20.069   8.0830 -4.948923 10.74071 
1 1 1   13   23   12 o   12.835   5.8739  -1.1458   2.6581   3.4921   3.7539  -5.8099   3.7645   20.654   8.0450   12.135   5.9352 8.519385 9.997428 
1 1 1   13   23   13 o   13.753   6.1134  -0.1697   2.6460   0.8107   3.7153  -1.1789   3.7694   16.883   7.3837   15.069   6.9327 1.813398 10.12822 
1 1 1   13   23   14 o   10.264   5.0157  -4.0778   2.6704  -3.1167   3.8387  -4.9791   3.7173   13.531   6.4607   12.183   5.9455 1.348071 8.780078 
1 1 1   13   23   15 o   18.464   6.8729   3.1928   2.6625   1.4181   3.7694   4.9599   3.7613   16.967   7.4285   21.578   8.1404 -4.611202 11.02038 
1 1 1   13   23   16 o   14.400   6.2459   0.8474   2.6125  -0.9384   3.6883   2.6455   3.7010   14.381   6.6994   17.935   7.5983 -3.554653 10.12991 
1 1 1   13   23   17 o   16.175   6.5349   2.2218   2.5642  -0.3235   3.5804   4.9020   3.6741   14.502   6.7021   20.611   7.9781 -6.108925 10.41964 
1 1 1   13   23   18 o   12.209   5.6933  -0.9715   2.6740   0.7962   3.7785  -2.7450   3.7849   15.546   7.0717   12.938   6.2391 2.607630 9.430583 
1 1 1   13   23   19 o   13.976   6.1804   0.8576   2.6703  -1.8276   3.7515   3.6152   3.8018   13.253   6.3439   18.141   7.6938 -4.887797 9.971924 
1 1 1   13   23   20 o   13.422   6.0376   0.7906   2.6641  -1.9566   3.7321   3.6451   3.8043   12.666   6.1290   17.258   7.5110 -4.592800 9.694307 
1 1 1   13   23   21 o   15.471   6.3939   2.8612   2.5245   1.5788   3.5484   4.1754   3.5923   14.304   6.6319   16.835   7.3131 -2.531419 9.872359 
1 1 1   13   24    0 o   10.690   7.2948  -1.8230   3.8039  -1.8230   3.8039  -1.8230   3.8039   10.690   7.2948   10.690   7.2948 0.000000 0.000000 
1 1 1   13   24    1 o   15.421   6.5108   0.6453   2.7023   3.6421   3.7704  -2.5201   3.8749   21.585   8.1485   14.792   6.8830 6.792150 10.66653 
1 1 1   13   24    2 o   35.712   5.2289   10.812   2.8436   10.737   4.0671   10.884   3.9774   34.164   7.7629   34.535   7.5500 -0.3715477 10.82888 
1 1 1   13   24    3 o   15.972   6.6378   0.9784   2.7419  -5.8510   3.8813   7.7816   3.8739   12.614   6.1379   28.798   8.1863 -16.18436 10.23174 
1 1 1   13   24    4 o   18.908   6.9593   2.7583   2.7162  -0.9094   3.8374   6.4409   3.8452   16.047   7.2298   26.275   8.3198 -10.22810 11.02218 
1 1 1   13   24    5 o   12.099   5.6801  -2.3310   2.7370  -0.9891   3.9082  -3.6226   3.8343   16.083   7.2665   13.831   6.5619 2.252339 9.790869 
1 1 1   13   24    6 o   12.850   5.9017  -1.4465   2.7157  -4.4767   3.8500   1.5542   3.8312   13.277   6.3742   18.593   7.7954 -5.315965 10.06974 
1 1 1   13   24    7 o   25.503   6.8652   5.9583   2.8080   5.9715   3.9718   5.9451   3.9703   25.149   8.4866   25.103   8.4850 0.4525948E-01 12.00079 
1 1 1   13   24    8 o   10.507   5.1583  -5.2073   2.9255  -7.4925   3.9086  -2.2963   4.4114   11.727   5.7961   15.792   7.3466 -4.064610 9.357755 
1 1 1   13   24    9 o   22.639   7.0659   4.7510   2.7833   9.1368   3.9312   0.3432   3.9411   30.581   8.0740   17.120   7.5422 13.46126 11.04878 
1 1 1   13   24   10 o   15.032   6.6048   0.1440   3.0038   3.0425   4.2065  -2.8718   4.2907   20.353   8.3152   14.937   7.0432 5.415778 10.89725 
1 1 1   13   24   11 f   18.639   7.4009   2.7026   3.2306   3.6805   4.9087   1.9554   4.2910   21.275   8.8648   18.845   8.0881 2.429968 12.00007 
1 1 1   13   24   12 o   18.796   7.2219   3.1041   2.9946  -2.8584   4.1357   9.6763   4.3420   14.256   6.7784   29.596   8.7433 -15.33970 11.06310 
1 1 1   13   24   13 o   18.946   7.3665   3.3195   3.1430   1.3560   4.3805   5.4029   4.5122   17.645   7.8532   22.216   8.7702 -4.570972 11.77236 
1 1 1   13   24   14 f   16.200   6.9133   1.6487   3.1026   1.8831   4.3232   1.3998   4.4552   17.715   7.8475   17.395   7.8175 0.3201771 11.07689 
1 1 1   13   24   15 o   18.848   7.2103   3.6718   2.9763   5.9192   4.3806   1.7450   4.0562   21.862   8.6379   17.006   7.5634 4.856432 11.48119 
1 1 1   13   24   16 o   11.103   5.3064  -2.1084   2.6022   3.0239   3.6910  -7.1807   3.6693   17.858   7.5776   10.604   5.3016 7.253817 9.248069 
1 1 1   13   24   17 o   11.565   5.4494  -1.3408   2.5605  -3.2131   3.6418   0.4892   3.6006   12.336   5.9893   14.933   6.8350 -2.597477 9.087833 
1 1 1   13   24   18 o   13.925   6.1133   1.0390   2.5684   3.8004   3.6040  -1.8109   3.6613   18.088   7.5706   12.989   6.2307 5.098696 9.804858 
1 1 1   13   24   19 o   18.233   6.6780   4.1080   2.4961   7.9812   3.5606   0.3651   3.5002   23.297   8.0316   13.759   6.4476 9.538726 10.29942 
1 1 1   13   24   20 o   11.395   5.3752  -0.4143   2.5041   1.7240   3.5648  -2.4973   3.5184   14.247   6.6199   11.458   5.6315 2.788693 8.691174 
1 1 1   13   25    0 o   13.011   8.3501   0.7534   3.8730   0.7534   3.8730   0.7534   3.8730   13.011   8.3501   13.011   8.3501 0.000000 0.000000 
1 1 1   13   25    1 o   19.064   7.0779   2.8807   2.8202   1.4171   4.0380   4.2746   3.9406   18.609   7.9122   22.312   8.3502 -3.703392 11.50344 
1 1 1   13   25    2 f   16.388   6.7282   1.3395   2.7712  -5.1474   3.8638   8.2111   3.9767   12.831   6.2157   29.062   8.3051 -16.23048 10.37348 
1 1 1   13   25    3 o   14.014   6.2272  -0.3616   2.7432   2.8256   3.9048  -3.4675   3.8547   20.114   8.0860   13.837   6.5691 6.276675 10.41806 
1 1 1   13   25    4 o   24.689   7.0086   5.6696   2.8414   7.2229   3.9631   4.0264   4.0761   27.121   8.4264   21.891   8.4218 5.230104 11.91350 
1 1 1   13   25    5 o   17.287   6.8563   1.9707   2.7697   3.0524   3.8825   0.8497   3.9523   20.280   8.0933   17.682   7.6760 2.597458 11.15444 
1 1 1   13   25    6 o   31.665   6.1075   9.0246   2.9249   6.6287   4.1584   11.371   4.1149   25.750   8.6837   34.317   7.8162 -8.566334 11.68336 
1 1 1   13   25    7 o   20.216   7.1678   3.6542   2.8480   5.9088   4.0698   1.4907   3.9867   24.388   8.5755   18.228   7.8090 6.160797 11.59827 
1 1 1   13   25    8 o   21.603   7.7501   4.4229   3.3391   3.0069   4.5617   6.0575   4.9010   20.355   8.5183   24.273   9.2607 -3.917910 12.58267 
1 1 1   13   25    9 o   43.301   4.7669   16.275   3.1857   19.700   4.5129   12.873   4.4977   45.994   6.4277   35.195   8.2824 10.79931 10.48390 
1 1 1   13   25   10 o   17.436   7.0711   2.3074   3.0152   3.3085   4.2474   1.2903   4.2811   19.797   8.2472   17.672   7.8197 2.124968 11.36501 
1 1 1   13   25   11 o   23.525   7.6522   5.9332   3.2373   4.4128   4.5490   7.4931   4.6079   20.868   8.5996   24.938   9.0827 -4.069492 12.50792 
1 1 1   13   25   12 o   16.124   6.6633   1.9147   2.7414  -0.6439   3.8440   4.5630   3.9108   14.892   6.9039   20.561   8.1497 -5.669886 10.68086 
1 1 1   13   25   13 o   14.034   6.1908   0.6015   2.6633   0.6234   3.7522   0.5794   3.7808   15.626   7.0840   15.621   7.0933 0.5073547E-02 10.02490 
1 1 1   13   25   14 o   16.446   6.7339   2.3715   2.7663   3.1901   3.8287   1.4776   4.0013   18.128   7.7060   16.458   7.4015 1.670055 10.68477 
1 1 1   13   25   15 o   14.385   6.3536   0.9213   2.8138   0.5519   3.9749   1.2923   3.9839   15.437   7.1082   16.079   7.2933 -0.6414795 10.18419 
1 1 1   13   25   16 o   17.955   6.9148   3.5396   2.7498   5.0187   3.9033   2.0823   3.8745   19.804   8.0401   16.457   7.3509 3.346964 10.89397 
1 1 1   13   25   17 o   12.610   5.8350  -0.1681   2.7266   5.4233   3.8442  -5.8284   3.8678   19.610   7.9726   11.090   5.5287 8.520674 9.701994 
1 1 1   13   25   18 o   9.2943   4.6294  -4.3775   2.6862  -6.3179   3.7970  -2.4332   3.8008   10.431   5.2405   12.076   5.9183 -1.644545 7.905021 
1 1 1   13   25   19 o   9.6131   4.7744  -3.6569   2.7748  -4.7776   3.8177  -2.4018   4.0401   10.721   5.3674   11.945   5.9018 -1.223640 7.977460 
1 1 1   13   26    0 o   13.404   8.8252   0.3272   4.7304   0.3272   4.7304   0.3272   4.7304   13.404   8.8252   13.404   8.8252 0.000000 0.000000 
1 1 1   13   26    1 o   13.081   6.2295  -3.1956   3.5205  -5.9789   4.9538  -0.3556   5.0040   14.290   6.9490   17.843   8.1249 -3.552851 10.69123 
1 1 1   13   26    2 o   27.218   7.8946   7.4192   3.5682   7.6068   4.9410   7.2147   5.1585   26.568   9.4391   25.946   9.5835 0.6222477 13.45143 
1 1 1   13   26    3 o   14.038   6.5375  -1.8180   3.5070  -2.4267   4.9715  -1.2151   4.9479   16.228   7.6298   17.016   7.8690 -0.7879066 10.96067 
1 1 1   13   26    4 o   44.484   5.5687   17.611   3.8025   12.607   5.2986   22.925   5.4602   33.544   9.5867   48.830   7.3534 -15.28666 12.08212 
1 1 1   13   26    5 o   20.298   7.6611   3.8159   3.3323   8.1361   4.7471  -0.3805   4.6786   26.838   9.2728   17.008   7.7871 9.830479 12.10885 
1 1 1   13   26    6 o   14.222   6.5019  -0.7395   3.2461   2.1175   4.5620  -3.6694   4.6199   18.899   8.2251   14.583   6.9961 4.316722 10.79807 
1 1 1   13   26    7 o   14.136   6.4794  -0.7340   3.2516  -1.7011   4.5949   0.2361   4.6020   15.627   7.3436   17.064   7.7786 -1.437184 10.69746 
1 1 1   13   26    8 o   12.955   6.1651  -2.5078   3.4363  -1.6602   4.8493  -3.3627   4.8702   15.843   7.4756   14.869   7.1463 0.9746056 10.34185 
1 1 1   13   26    9 o   22.524   7.4184   5.4584   3.0383   4.2744   4.2855   6.6550   4.3082   20.327   8.3586   23.537   8.7462 -3.209997 12.09797 
1 1 1   13   26   10 f   19.267   7.2997   3.8425   3.0320   1.6141   4.2561   6.1389   4.3205   17.195   7.6909   22.401   8.6568 -5.205881 11.57976 
1 1 1   13   26   11 f   18.065   7.5064   3.1305   3.5055  -1.6737   4.7863   8.6893   5.1485   15.129   7.2211   24.623   9.4671 -9.493347 11.90676 
1 1 1   13   26   12 o   14.752   6.5008   1.0249   2.9299   3.3952   4.0870  -1.4811   4.2023   18.372   7.8894   14.345   6.8242 4.026655 10.43131 
1 1 1   13   26   13 o   13.612   6.2036   0.0933   2.9252   1.5045   4.1114  -1.3536   4.1628   16.328   7.4074   14.239   6.7789 2.088759 10.04105 
1 1 1   13   26   14 o   10.788   5.2459  -3.0174   2.8217   0.2283   3.9728  -6.3217   4.0085   14.953   6.9618   11.364   5.6595 3.589414 8.971984 
1 1 1   13   26   15 o   9.4307   4.7102  -5.4947   2.8635  -4.1721   4.0373  -6.8336   4.0620   12.141   5.9799   11.086   5.5481 1.054719 8.157250 
1 1 1   13   26   16 o   15.610   6.7942   2.6145   3.1134   0.7961   4.2901   4.6377   4.5253   14.638   6.9436   17.611   7.8996 -2.973420 10.51745 
1 1 1   13   26   17 o   16.156   7.2514   3.8620   3.8200   6.2714   5.3188   1.2952   5.4897   17.411   8.0888   14.700   7.1849 2.711486 10.81908 
1 1 1   13   27    0 o   8.9387   6.3691  -4.4550   3.9302  -4.4550   3.9302  -4.4550   3.9302   8.9387   6.3691   8.9387   6.3691 0.000000 0.000000 
1 1 1   13   27    1 o   27.098   6.8193   7.3526   2.8972   7.3300   4.1666   7.3736   4.0313   25.220   8.6885   25.432   8.5498 -0.2128620 12.18972 
1 1 1   13   27    2 o   13.895   6.2689  -0.1910   2.8968   0.8377   4.0987  -1.2176   4.0946   16.798   7.5276   15.078   7.0357 1.719601 10.30370 
1 1 1   13   27    3 f   19.083   7.3135   3.4888   3.0658   1.0139   4.1793   6.3722   4.5111   16.989   7.6083   23.335   8.8890 -6.345669 11.70050 
1 1 1   13   27    4 o   20.015   7.4768   4.0882   3.1565   4.9337   4.4876   3.2604   4.4406   21.289   8.6291   19.345   8.2636 1.943932 11.94774 
1 1 1   13   27    5 o   17.078   7.0459   2.3266   3.0584  -0.3030   4.3938   4.7981   4.2597   15.945   7.3883   20.931   8.4346 -4.986386 11.21292 
1 1 1   13   27    6 o   14.763   6.5785   0.5444   3.0839   3.6153   4.3538  -2.5478   4.3688   19.347   8.2206   14.290   6.8417 5.057239 10.69520 
1 1 1   13   27    7 o   14.537   6.4901   0.5286   3.0165  -1.5055   4.2987   2.5018   4.2339   14.722   6.9739   17.916   7.8575 -3.193777 10.50599 
1 1 1   13   27    8 o   14.911   6.8011   0.2903   3.5248   5.9160   4.9813  -5.3511   4.9883   21.379   8.9208   13.539   6.6641 7.839935 11.13509 
1 1 1   13   27    9 o   12.685   5.8946  -0.7891   2.8273  -2.7920   4.0045   1.2015   3.9923   13.263   6.4010   16.134   7.3115 -2.871674 9.717526 
1 1 1   13   27   10 o   15.752   6.7105   1.9251   2.9145   2.5241   4.2609   1.3985   3.9953   17.377   7.7389   16.158   7.3191 1.218962 10.65178 
1 1 1   13   27   11 o   14.939   6.6599   1.1214   3.1641   0.5823   4.4238   1.6860   4.5275   15.748   7.3367   16.665   7.6413 -0.9166059 10.59322 
1 1 1   13   27   12 o   11.042   5.3566  -2.8100   2.8965  -3.1515   4.1101  -2.4732   4.0825   12.913   6.2908   13.241   6.4081 -0.3278599 8.979860 
1 1 1   13   27   13 o   9.6077   4.7673  -4.5440   2.7423  -5.3878   3.7815  -3.6080   3.9825   11.185   5.5581   12.305   6.0363 -1.120311 8.205421 
1 1 1   13   27   14 o   19.741   6.9702   5.0239   2.6908   2.8065   3.7581   7.3565   3.8544   16.036   7.1955   21.546   8.2145 -5.510294 10.92031 
1 1 1   13   27   15 o   10.929   5.2482  -1.2467   2.6139  -2.9265   3.7052   0.4175   3.6880   11.527   5.6870   13.410   6.3831 -1.883117 8.549012 
1 1 1   13   27   16 o   11.002   5.2753  -0.8270   2.6177   1.6135   3.6612  -3.3794   3.7441   13.778   6.4996   11.074   5.5077 2.704325 8.519358 
1 1 1   13   28    0 o   11.795   7.8989   0.2034   4.0672   0.2034   4.0672   0.2034   4.0672   11.795   7.8989   11.795   7.8989 0.000000 0.000000 
1 1 1   13   28    1 o   10.828   5.2777  -3.5498   2.9030  -2.3168   4.1635  -4.7164   4.0497   13.895   6.6596   12.410   6.0877 1.484416 9.022730 
1 1 1   13   28    2 o   16.018   6.7852   1.9269   2.9509  -1.2601   4.1076   5.3260   4.2421   14.468   6.8429   20.866   8.4140 -6.397624 10.84531 
1 1 1   13   28    3 o   12.771   6.0446  -1.6031   3.2156  -1.5069   4.3603  -1.7178   4.7613   14.599   6.9467   14.967   7.1596 -0.3680143 9.975742 
1 1 1   13   28    4 o   14.911   6.6510   0.8934   3.1600   0.8957   4.5266   0.8912   4.4134   16.381   7.5580   16.275   7.4925 0.1056042 10.64239 
1 1 1   13   28    5 o   11.785   5.6625  -2.4303   3.0532  -2.0064   4.3138  -2.8557   4.3219   14.114   6.7684   13.642   6.6001 0.4718704 9.453651 
1 1 1   13   28    6 o   20.071   7.9398   4.9147   3.7052   6.2917   5.8417   3.9878   4.7926   20.865   9.1876   18.909   8.3243 1.955690 12.39784 
1 1 1   13   28    7 o   15.066   6.7223   1.1548   3.2306   3.3285   4.5502  -1.0549   4.5876   18.102   8.0333   14.851   7.0832 3.251265 10.71004 
1 1 1   13   28    8 o   15.361   6.7951   1.4970   3.2302   3.3242   4.4689  -0.5020   4.6744   17.948   7.9631   15.188   7.2173 2.759207 10.74709 
1 1 1   13   28    9 o   12.010   5.7194  -1.6190   2.9673  -2.3971   4.1568  -0.8104   4.2373   13.374   6.4708   14.420   6.8578 -1.046824 9.428742 
1 1 1   13   28   10 o   12.098   5.7285  -1.2076   2.8942  -1.4959   4.0715  -0.9132   4.1148   13.641   6.5505   14.052   6.7038 -0.4112377 9.372818 
1 1 1   13   28   11 o   11.777   5.7136  -2.4186   3.2965  -0.8239   4.4568  -4.3448   4.8983   14.185   6.8225   12.989   6.4321 1.196322 9.376533 
1 1 1   13   28   12 o   10.947   5.3106  -2.1072   2.8468  -2.2418   3.9488  -1.9615   4.1077   12.460   6.0908   12.782   6.2405 -0.3222666 8.720196 
1 1 1   13   28   13 o   11.474   5.4840  -0.8062   2.7799  -0.0229   3.9365  -1.5855   3.9264   13.239   6.3788   12.371   6.0528 0.8684416 8.793456 
1 1 1   13   28   14 o   11.381   5.4698  -0.7163   2.8530  -1.4051   4.0804  -0.0575   3.9904   12.252   6.0302   12.861   6.2502 -0.6087875 8.684958 
1 1 1   13   29    0 o   11.505   7.9247  -0.7397   4.7331  -0.7397   4.7331  -0.7397   4.7331   11.505   7.9247   11.505   7.9247 0.000000 0.000000 
1 1 1   13   29    1 o   12.415   5.8963  -1.4830   3.1121   2.9400   4.4858  -5.5872   4.3212   17.537   7.8657   12.133   6.0143 5.403444 9.901580 
1 1 1   13   29    2 o   12.201   5.8224  -1.7473   3.1083   4.8553   4.4063  -8.2875   4.3854   19.383   8.2540   11.230   5.6405 8.152224 9.997200 
1 1 1   13   29    3 o   12.753   6.0456  -1.2883   3.2417   3.6047   4.7390  -5.5915   4.4442   18.121   8.1093   12.281   6.0897 5.839025 10.14130 
1 1 1   13   29    4 o   21.418   7.5906   5.7575   3.1936  -0.1569   4.4493   12.043   4.5866   15.041   7.1161   29.052   9.0711 -14.01100 11.52926 
1 1 1   13   29    5 o   11.970   5.6913  -1.4817   2.9157  -5.5174   4.1391   2.4936   4.1080   11.791   5.8517   16.754   7.5200 -4.963599 9.528522 
1 1 1   13   29    6 o   12.276   5.8815  -1.7578   3.2408   5.2637   4.6063  -8.6398   4.5603   19.316   8.3360   11.248   5.6627 8.068525 10.07745 
1 1 1   13   29    7 o   10.046   4.9554  -3.9322   2.8078  -1.6244   4.0051  -6.1627   3.9375   13.349   6.4324   11.086   5.5349 2.263398 8.485908 
1 1 1   13   29    8 o   12.481   5.8739  -0.5816   2.9588  -0.5033   4.4608  -0.6432   3.9537   14.274   6.8549   13.700   6.5456 0.5738211 9.478119 
1 1 1   13   29    9 o   14.865   6.4621   2.1670   2.8095   1.0246   4.0043   3.2745   3.9427   14.511   6.8304   16.320   7.3428 -1.809576 10.02848 
1 1 1   13   29   10 o   9.9000   4.8805  -3.1267   2.7103  -3.9403   3.8440  -2.3225   3.8219   11.272   5.6019   11.980   5.8841 -0.7077789 8.124289 
1 1 1   13   29   11 o   9.7534   4.8506  -3.7838   2.9025   0.1983   3.8699  -8.9039   4.3882   13.085   6.3097   10.149   5.1585 2.936485 8.150043 
1 1 1   13   29   12 o   8.1966   4.1518  -6.3024   2.6795  -4.9319   3.7233  -7.7746   3.8591   10.327   5.1882   9.6179   4.8834 0.7090626 7.124981 
1 1 1   13   30    0 o   6.8585   5.0545  -9.6295   3.9406  -9.6295   3.9406  -9.6295   3.9406   6.8585   5.0545   6.8585   5.0545 0.000000 0.000000 
1 1 1   13   30    1 o   12.440   5.8230  -0.3922   2.8410  -1.2885   3.9385   0.5803   4.1021   13.254   6.3846   14.620   6.8914 -1.365618 9.394428 
1 1 1   13   30    2 o   14.638   6.4575   1.7265   2.8981   1.3433   4.1720   2.0838   4.0289   15.162   7.0838   15.661   7.1911 -0.4991121 10.09413 
1 1 1   13   30    3 o   9.5628   4.7640  -4.7654   2.8495  -2.7557   4.0522  -6.7312   4.0077   12.476   6.1138   10.773   5.4084 1.702973 8.162722 
1 1 1   13   30    4 o   14.339   6.3592   1.6964   2.8472   0.9352   4.0265   2.4576   4.0265   14.492   6.8299   15.654   7.1884 -1.162927 9.915689 
1 1 1   13   30    5 o   11.670   5.5619  -0.9054   2.8178   1.2581   4.0275  -2.9800   3.9438   14.497   6.8321   11.981   5.9029 2.516132 9.028925 
1 1 1   13   30    6 o   13.865   6.3224   1.5119   3.0437   2.1231   4.0738   0.7395   4.5794   14.852   6.9589   14.198   6.8505 0.6546955 9.765003 
1 1 1   13   30    7 o   13.979   6.2513   1.9697   2.8104   4.8700   4.0328  -0.7687   3.9186   16.769   7.4944   12.664   6.1634 4.105139 9.703314 
1 1 1   13   30    8 o   15.168   6.6183   3.1990   2.9699   3.7526   4.4873   2.7674   3.9618   15.326   7.2193   14.664   6.8680 0.6623564 9.964340 
1 1 1   13   30    9 o   10.839   5.2525  -1.1256   2.7649  -0.7250   3.8965  -1.5318   3.9241   12.237   5.9961   11.871   5.8562 0.3652496 8.381429 
1 1 1   13   31    0 o   9.2918   6.5974  -1.8477   4.0836  -1.8477   4.0836  -1.8477   4.0836   9.2918   6.5974   9.2918   6.5974 0.000000 0.000000 
1 1 1   13   31    1 o   8.0278   4.0839  -7.5665   2.7938  -8.4550   3.9656  -6.6911   3.9365   9.6202   4.8912   10.076   5.0954 -0.4553642 7.063033 
1 1 1   13   31    2 o   12.201   5.7543   0.4381   2.8669  -1.9420   4.0526   2.8223   4.0561   11.888   5.8803   14.530   6.8501 -2.642426 9.027841 
1 1 1   13   31    3 o   10.227   5.0379  -2.4162   2.8697  -3.3697   4.0425  -1.4475   4.0744   11.238   5.6104   12.060   5.9528 -0.8223572 8.180051 
1 1 1   13   31    4 o   13.564   6.1689   2.0725   2.8732   2.1632   4.1461   1.9887   3.9853   13.885   6.6525   13.746   6.5687 0.1388626 9.349004 
1 1 1   13   31    5 o   9.4692   4.7318  -3.8783   2.9053  -2.2687   4.0782  -5.5370   4.1400   11.553   5.7461   10.474   5.2882 1.079229 7.809150 
1 1 1   14    0    0 o  889.022   6.8764  6205.84   95.923  6205.84   95.923  6205.84   95.923  889.022   6.8764  889.022   6.8764 0.000000 0.000000 
1 1 1   14    0    1 o  361.801   3.5530  1027.68   20.168  1027.68   20.168  1027.68   20.168  361.801   3.5530  361.801   3.5530 0.000000 0.000000 
1 1 1   14    0    2 f  355.072   2.4879  989.537   13.861  989.537   13.861  989.537   13.861  355.072   2.4879  355.072   2.4879 0.000000 0.000000 
1 1 1   14    0    3 o   97.051   3.1556   74.156   4.7945   74.156   4.7945   74.156   4.7945   97.051   3.1556   97.051   3.1556 0.000000 0.000000 
1 1 1   14    0    4 o  120.376   2.3076  113.840   4.3556  113.840   4.3556  113.840   4.3556  120.376   2.3076  120.376   2.3076 0.000000 0.000000 
1 1 1   14    0    5 f   90.184   3.0417   64.050   4.2937   64.050   4.2937   64.050   4.2937   90.184   3.0417   90.184   3.0417 0.000000 0.000000 
1 1 1   14    0    6 o  495.573   3.5181  1928.09   27.357  1928.09   27.357  1928.09   27.357  495.573   3.5181  495.573   3.5181 0.000000 0.000000 
1 1 1   14    0    7 o  182.956   2.1180  262.795   6.0793  262.795   6.0793  262.795   6.0793  182.956   2.1180  182.956   2.1180 0.000000 0.000000 
1 1 1   14    0    8 o  102.820   2.3826   83.108   3.8398   83.108   3.8398   83.108   3.8398  102.820   2.3826  102.820   2.3826 0.000000 0.000000 
1 1 1   14    0    9 o  207.639   2.2491  338.514   7.3268  338.514   7.3268  338.514   7.3268  207.639   2.2491  207.639   2.2491 0.000000 0.000000 
1 1 1   14    0   10 o  463.291   2.8991  1685.43   21.076  1685.43   21.076  1685.43   21.076  463.291   2.8991  463.291   2.8991 0.000000 0.000000 
1 1 1   14    0   11 o   66.120   2.8715   34.525   2.9667   34.525   2.9667   34.525   2.9667   66.120   2.8715   66.120   2.8715 0.000000 0.000000 
1 1 1   14    0   12 o  262.847   2.1917  542.512   9.0392  542.512   9.0392  542.512   9.0392  262.847   2.1917  262.847   2.1917 0.000000 0.000000 
1 1 1   14    0   13 o  127.024   2.3041  126.818   4.5896  126.818   4.5896  126.818   4.5896  127.024   2.3041  127.024   2.3041 0.000000 0.000000 
1 1 1   14    0   14 o   73.293   3.0808   42.436   3.5293   42.436   3.5293   42.436   3.5293   73.293   3.0808   73.293   3.0808 0.000000 0.000000 
1 1 1   14    0   15 o   66.646   3.2824   35.175   3.4139   35.175   3.4139   35.175   3.4139   66.646   3.2824   66.646   3.2824 0.000000 0.000000 
1 1 1   14    0   16 o   23.795   8.5347   5.9355   2.9132   5.9355   2.9132   5.9355   2.9132   23.795   8.5347   23.795   8.5347 0.000000 0.000000 
1 1 1   14    0   17 o  111.673   2.6134   98.184   4.5742   98.184   4.5742   98.184   4.5742  111.673   2.6134  111.673   2.6134 0.000000 0.000000 
1 1 1   14    0   18 o   10.270   6.8081  -0.7036   2.8927  -0.7036   2.8927  -0.7036   2.8927   10.270   6.8081   10.270   6.8081 0.000000 0.000000 
1 1 1   14    0   19 o   11.917   7.4566   0.7018   2.8709   0.7018   2.8709   0.7018   2.8709   11.917   7.4566   11.917   7.4566 0.000000 0.000000 
1 1 1   14    0   20 o  119.564   2.5547  112.668   4.7885  112.668   4.7885  112.668   4.7885  119.564   2.5547  119.564   2.5547 0.000000 0.000000 
1 1 1   14    0   21 o   14.660   8.3368   2.3441   2.9845   2.3441   2.9845   2.3441   2.9845   14.660   8.3368   14.660   8.3368 0.000000 0.000000 
1 1 1   14    0   22 o   60.704   3.6492   29.490   3.4473   29.490   3.4473   29.490   3.4473   60.704   3.6492   60.704   3.6492 0.000000 0.000000 
1 1 1   14    0   23 o   17.217   8.8176   3.6397   3.0179   3.6397   3.0179   3.6397   3.0179   17.217   8.8176   17.217   8.8176 0.000000 0.000000 
1 1 1   14    0   24 o   35.509   5.4808   10.822   2.8379   10.822   2.8379   10.822   2.8379   35.509   5.4808   35.509   5.4808 0.000000 0.000000 
1 1 1   14    0   25 o   37.283   5.0875   11.800   2.8198   11.800   2.8198   11.800   2.8198   37.283   5.0875   37.283   5.0875 0.000000 0.000000 
1 1 1   14    0   26 o   25.973   7.4675   6.8023   2.6388   6.8023   2.6388   6.8023   2.6388   25.973   7.4675   25.973   7.4675 0.000000 0.000000 
1 1 1   14    0   27 o   7.3588   5.2442  -3.4110   2.6683  -3.4110   2.6683  -3.4110   2.6683   7.3588   5.2442   7.3588   5.2442 0.000000 0.000000 
1 1 1   14    0   28 o   20.602   8.6296   5.3316   2.7980   5.3316   2.7980   5.3316   2.7980   20.602   8.6296   20.602   8.6296 0.000000 0.000000 
1 1 1   14    0   29 o   18.795   8.8115   4.8327   2.9113   4.8327   2.9113   4.8327   2.9113   18.795   8.8115   18.795   8.8115 0.000000 0.000000 
1 1 1   14    0   30 o   16.155   8.0613   3.7512   2.4869   3.7512   2.4869   3.7512   2.4869   16.155   8.0613   16.155   8.0613 0.000000 0.000000 
1 1 1   14    0   31 o   7.5093   5.2585  -1.5783   2.3218  -1.5783   2.3218  -1.5783   2.3218   7.5093   5.2585   7.5093   5.2585 0.000000 0.000000 
1 1 1   14    1    0 o  164.920   2.2717  213.559   5.8769  213.559   5.8769  213.559   5.8769  164.920   2.2717  164.920   2.2717 0.000000 0.000000 
1 1 1   14    1    1 o  735.122   2.9160  4241.85   33.640  4260.76   47.789  4223.27   47.363  736.622   4.1341  733.377   4.1153 3.245239 5.833194 
1 1 1   14    1    2 o  373.569   1.8069  1095.17   10.593  1089.24   14.916  1101.20   15.045  372.531   2.5515  374.570   2.5596 -2.038727 3.614067 
1 1 1   14    1    3 o  156.189   1.6298  191.440   3.9949  188.962   5.2435  194.870   6.1676  155.168   2.1533  157.569   2.4942 -2.401352 3.295137 
1 1 1   14    1    4 o  114.087   1.6351  102.143   2.9275   99.488   4.1383  104.802   4.1419  112.587   2.3422  115.555   2.2840 -2.968063 3.271484 
1 1 1   14    1    5 o   46.811   2.9143   17.269   2.1303   16.905   3.0362   17.621   2.9897   46.201   4.2347   47.192   4.0768 -0.9916916 5.878183 
1 1 1   14    1    6 o  289.692   1.8007  658.625   8.1860  667.846   11.262  648.297   11.919  291.686   2.4604  287.377   2.6430 4.309357 3.610919 
1 1 1   14    1    7 o  163.063   1.5479  208.674   3.9611  206.697   5.3961  210.984   5.8331  162.276   2.1189  163.946   2.2672 -1.670044 3.103234 
1 1 1   14    1    8 f  305.265   1.6395  731.371   7.8539  726.711   11.058  736.114   11.157  304.253   2.3161  306.214   2.3217 -1.961517 3.279358 
1 1 1   14    1    9 o  203.681   1.5832  325.615   5.0605  325.698   7.7201  325.553   6.7009  203.667   2.4154  203.639   2.0968 0.2799988E-01 3.198609 
1 1 1   14    1   10 o  193.779   1.5200  294.743   4.6224  292.960   6.7401  296.326   6.3513  193.153   2.2236  194.268   2.0833 -1.115448 3.047058 
1 1 1   14    1   11 o  227.223   1.4938  405.293   5.3267  404.523   7.5284  406.065   7.5379  226.958   2.1137  227.390   2.1124 -0.4324341 2.988311 
1 1 1   14    1   12 o  111.012   1.5862   96.754   2.7633   99.681   3.9554   93.962   3.8621  112.647   2.2375  109.367   2.2503 3.279831 3.173332 
1 1 1   14    1   13 o   51.502   2.5945   20.903   2.0901   19.889   2.9654   21.903   2.9465   50.107   3.7995   52.623   3.5895 -2.515442 5.226917 
1 1 1   14    1   14 o   74.705   2.0005   43.878   2.3432   42.315   3.3140   45.440   3.3137   73.282   2.8873   75.955   2.7848 -2.672783 4.011405 
1 1 1   14    1   15 o   36.970   3.6699   10.883   2.1011   9.1008   2.9230   12.788   3.0222   33.385   5.7890   39.893   4.9324 -6.508774 7.605289 
1 1 1   14    1   16 o  105.571   1.8837   87.590   3.1209   89.861   4.4499   85.393   4.3781  106.848   2.6539  104.120   2.6817 2.727951 3.772847 
1 1 1   14    1   17 o   56.476   2.6527   25.173   2.3445   25.508   3.3190   24.839   3.3122   56.689   3.7519   55.930   3.7961 0.7597122 5.337387 
1 1 1   14    1   18 o  110.933   1.8635   96.764   3.2440   96.213   4.6098   97.305   4.5660  110.496   2.6585  111.128   2.6182 -0.6325607 3.731298 
1 1 1   14    1   19 o   79.065   2.1574   49.260   2.6743   46.958   3.7774   51.573   3.7867   77.011   3.1321   80.744   2.9936 -3.732986 4.332641 
1 1 1   14    1   20 o   52.168   2.8411   21.580   2.3172   23.077   3.2826   20.093   3.2713   53.705   3.9220   50.019   4.2064 3.685497 5.751167 
1 1 1   14    1   21 o   95.902   1.9753   72.495   2.9728   72.106   4.1827   72.892   4.2259   95.387   2.7972   95.901   2.8110 -0.5137329 3.965605 
1 1 1   14    1   22 o   22.049   5.9667   4.1398   2.1144   4.2495   3.0218   4.0345   2.9596   22.610   7.3957   22.135   7.3231 0.4755726 10.40789 
1 1 1   14    1   23 o   37.367   3.6495   11.294   2.1128   9.8897   2.9680   12.736   3.0083   34.202   5.7323   39.216   5.0019 -5.013760 7.607763 
1 1 1   14    1   24 o   27.285   5.0638   6.2986   2.0884   6.7490   2.9394   5.8394   2.9678   27.603   6.8246   25.615   7.1245 1.987988 9.865832 
1 1 1   14    1   25 o   14.175   5.5929   1.1123   1.8342   0.2812   2.6010   1.9345   2.5869   14.644   6.2912   17.216   6.6860 -2.571729 9.180548 
1 1 1   14    1   26 o   10.305   4.7685  -1.2140   1.8208  -1.8884   2.5831  -0.5479   2.5671   11.921   5.5710   13.280   5.9538 -1.358867 8.153768 
1 1 1   14    1   27 o   24.830   5.0483   5.4973   1.9000   3.2166   2.6800   7.8018   2.6940   18.948   6.9228   28.958   6.1201 -10.00996 9.240176 
1 1 1   14    1   28 o   9.9733   4.7080  -1.6275   1.9272  -2.5199   2.7093  -0.7135   2.7419   11.359   5.4246   13.049   5.9695 -1.690370 8.066056 
1 1 1   14    1   29 o   22.282   5.6603   4.7695   1.9828   7.2424   2.9418   2.7109   2.6841   26.373   6.9945   17.372   6.7923 9.000584 9.749788 
1 1 1   14    1   30 o   13.551   5.5145   1.3467   1.8413   0.3754   2.6330   2.2764   2.5761   13.405   6.0182   15.926   6.5069 -2.521381 8.863310 
1 1 1   14    1   31 o   15.339   5.5364   2.4445   1.7070   1.2359   2.4423   3.5987   2.3867   13.606   5.9676   17.468   6.5062 -3.861870 8.828491 
1 1 1   14    2    0 f   99.967   2.6441   78.590   4.1415   78.590   4.1415   78.590   4.1415   99.967   2.6441   99.967   2.6441 0.000000 0.000000 
1 1 1   14    2    1 o  139.358   1.5686  152.401   3.4305  151.684   4.8424  153.123   4.8606  139.023   2.2196  139.680   2.2174 -0.6579437 3.137439 
1 1 1   14    2    2 o  272.050   1.8349  580.816   7.8337  580.062   10.261  581.870   12.129  271.858   2.4052  272.267   2.8386 -0.4092712 3.720556 
1 1 1   14    2    3 o  207.789   1.5170  338.819   4.9466  336.810   6.9984  340.825   6.9927  207.160   2.1527  208.392   2.1382 -1.231201 3.034165 
1 1 1   14    2    4 o  164.607   1.6652  212.636   4.3016  211.530   6.3411  213.579   5.8548  164.165   2.4614  164.962   2.2616 -0.7971649 3.342637 
1 1 1   14    2    5 o  209.866   1.5148  345.636   4.9888  348.199   7.0876  343.119   7.0232  210.629   2.1443  209.087   2.1404 1.541977 3.029736 
1 1 1   14    2    6 o   44.259   3.6069   15.485   2.4835   17.569   3.5047   13.383   3.5197   47.039   4.8157   40.874   5.6372 6.165131 7.414090 
1 1 1   14    2    7 o  120.639   1.5842  114.218   2.9992  114.025   4.2381  114.412   4.2450  120.524   2.2407  120.729   2.2406 -0.2048264 3.168757 
1 1 1   14    2    8 o  193.066   1.4745  292.538   4.4675  291.653   6.2961  293.435   6.3402  192.754   2.0814  193.342   2.0896 -0.5876770 2.949375 
1 1 1   14    2    9 o  244.803   1.5332  470.366   5.8901  468.069   8.3122  472.682   8.3477  244.169   2.1693  245.370   2.1679 -1.200150 3.066860 
1 1 1   14    2   10 o  231.312   1.5056  419.982   5.4653  421.627   7.7589  418.361   7.6998  231.722   2.1337  230.824   2.1257 0.8986359 3.011790 
1 1 1   14    2   11 o  140.172   1.4852  154.238   3.2670  155.070   4.6422  153.421   4.5985  140.519   2.1052  139.770   2.0965 0.7489166 2.971051 
1 1 1   14    2   12 o  313.934   1.6546  773.804   8.1515  774.315   11.537  773.295   11.519  313.937   2.3417  313.730   2.3397 0.2066345 3.310261 
1 1 1   14    2   13 o   92.555   1.8092   67.276   2.6278   63.920   3.6901   70.729   3.7429   90.135   2.6116   94.827   2.5174 -4.691650 3.627320 
1 1 1   14    2   14 o  123.577   1.6272  119.929   3.1555  119.485   4.4391  120.383   4.4865  123.296   2.2943  123.757   2.3101 -0.4608841 3.255785 
1 1 1   14    2   15 o  219.577   1.5949  378.684   5.4957  383.684   7.7962  373.745   7.7483  220.915   2.2488  218.032   2.2646 2.882980 3.191437 
1 1 1   14    2   16 o   90.989   1.8456   65.061   2.6353   66.049   3.7360   64.083   3.7179   91.571   2.6024   90.192   2.6296 1.378212 3.699664 
1 1 1   14    2   17 o  118.034   1.9761  109.543   3.6603  107.768   5.1584  111.342   5.1947  116.951   2.8106  118.880   2.7845 -1.928162 3.956380 
1 1 1   14    2   18 o   38.594   3.6459   11.886   2.1820   12.922   3.0755   10.836   3.0963   39.973   5.0126   36.413   5.5973 3.559677 7.513721 
1 1 1   14    2   19 o   63.212   2.4732   31.549   2.4487   30.984   3.4540   32.121   3.4720   62.439   3.5395   63.588   3.4928 -1.149841 4.972682 
1 1 1   14    2   20 f  122.092   2.0858  117.455   3.9964  117.113   5.3594  117.883   5.9980  121.708   2.8060  121.954   3.1366 -0.2455826 4.208565 
1 1 1   14    2   21 o   45.365   3.3736   16.452   2.3845   15.913   3.2682   17.064   3.4868   44.202   4.7879   45.738   4.9359 -1.535995 6.876544 
1 1 1   14    2   22 o   63.682   2.3608   32.115   2.3553   31.800   3.3152   32.436   3.3467   63.073   3.3615   63.703   3.3596 -0.6295891 4.752551 
1 1 1   14    2   23 o   33.079   4.0539   8.9400   2.0605   9.1935   2.9695   8.7046   2.8616   32.838   5.9827   31.956   5.9244 0.8818855 8.419656 
1 1 1   14    2   24 o   38.272   3.5692   11.873   2.1190   13.805   3.0263   10.016   2.9679   40.784   4.8216   34.274   5.7192 6.509682 7.480484 
1 1 1   14    2   25 f   69.797   2.2511   38.732   2.4625   43.692   3.5325   34.043   3.4346   73.732   3.0596   64.895   3.3842 8.837486 4.562238 
1 1 1   14    2   26 o   19.578   5.7377   3.4239   1.8762   3.4936   2.6496   3.3537   2.6570   19.896   6.9248   19.617   6.9263 0.2792988 9.794213 
1 1 1   14    2   27 o   15.293   5.8209   1.7688   1.9335   4.0545   2.5726  -1.1986   2.9311   20.614   6.8278   13.205   6.0887 7.409895 9.148301 
1 1 1   14    2   28 o   28.103   4.7866   7.0492   2.0354   9.9617   2.8802   4.1435   2.8768   32.619   5.8411   20.325   7.2042 12.29392 9.274639 
1 1 1   14    2   29 o   9.0977   4.3488  -1.8597   1.7497  -0.9831   2.4910  -2.7135   2.4582   12.043   5.5744   10.453   5.0376 1.590199 7.513416 
1 1 1   14    2   30 o   13.549   5.5058   1.3692   1.8324   3.4617   2.6417  -0.5711   2.5438   17.917   6.8077   12.190   5.6392 5.726542 8.839930 
1 1 1   14    2   31 o   11.961   5.1730   0.7531   1.7815  -0.5030   2.5438   1.9622   2.4958   11.805   5.5208   14.638   6.2220 -2.832461 8.318217 
1 1 1   14    3    0 o  133.930   2.6181  140.928   5.4978  140.928   5.4978  140.928   5.4978  133.930   2.6181  133.930   2.6181 0.000000 0.000000 
1 1 1   14    3    1 o  288.584   1.6819  653.550   7.6169  651.630   11.119  655.248   10.455  288.139   2.4591  288.942   2.3057 -0.8035889 3.370970 
1 1 1   14    3    2 o  182.603   1.7895  261.673   5.1280  264.978   7.3255  258.498   7.1808  183.738   2.5406  181.478   2.5214 2.260101 3.579367 
1 1 1   14    3    3 o  152.535   1.5530  182.587   3.7174  184.062   5.2776  181.134   5.2370  153.141   2.1960  151.918   2.1967 1.222702 3.106135 
1 1 1   14    3    4 o  201.541   1.5095  318.755   4.7742  319.066   6.7639  318.447   6.7396  201.626   2.1377  201.431   2.1321 0.1955109 3.019184 
1 1 1   14    3    5 o  298.345   1.6426  698.534   7.6904  688.273   10.784  709.151   10.970  296.121   2.3206  300.579   2.3256 -4.457458 3.285398 
1 1 1   14    3    6 o  194.271   1.8227  296.207   5.5568  302.778   7.6094  288.699   8.1338  196.395   2.4690  191.766   2.7028 4.628876 3.660741 
1 1 1   14    3    7 o  110.865   1.6432   96.463   2.8589   96.728   4.0608   96.203   4.0256  111.004   2.3311  110.702   2.3172 0.3014679 3.286861 
1 1 1   14    3    8 o  198.411   1.4852  308.964   4.6243  308.605   6.5385  309.322   6.5409  198.273   2.1014  198.503   2.0997 -0.2303314 2.970657 
1 1 1   14    3    9 o   73.807   2.0815   42.802   2.4085   44.218   3.6647   41.725   3.1956   74.956   3.1223   72.831   2.8012 2.124786 4.194674 
1 1 1   14    3   10 o   84.043   1.8384   55.454   2.4246   55.891   3.3348   54.965   3.5314   84.314   2.5232   83.600   2.6953 0.7137985 3.692013 
1 1 1   14    3   11 o   85.286   1.7602   57.110   2.3558   57.653   3.3261   56.563   3.3371   85.628   2.4779   84.812   2.5100 0.8162155 3.527051 
1 1 1   14    3   12 o  218.634   1.4920  375.271   5.1192  373.741   7.2287  376.810   7.2507  218.129   2.1117  219.023   2.1095 -0.8939209 2.984878 
1 1 1   14    3   13 o  140.358   1.4912  154.676   3.2845  159.873   4.6804  149.634   4.6103  142.653   2.0907  138.007   2.1288 4.646713 2.983728 
1 1 1   14    3   14 o   67.774   2.1476   36.134   2.2813   37.792   3.2018   34.424   3.2513   69.237   2.9535   66.052   3.1457 3.184998 4.314966 
1 1 1   14    3   15 o   65.122   2.4051   33.397   2.4537   32.879   3.4283   33.941   3.5132   64.497   3.3992   65.528   3.4283 -1.031624 4.827842 
1 1 1   14    3   16 o   89.920   2.0212   63.564   2.8522   65.767   3.9981   61.281   4.0701   91.344   2.7924   88.147   2.9464 3.196640 4.059430 
1 1 1   14    3   17 o  143.007   1.7513  160.734   3.9303  159.363   5.5052  162.159   5.6130  142.281   2.4656  143.518   2.4922 -1.237640 3.505732 
1 1 1   14    3   18 o   40.359   3.4810   12.974   2.1832   9.2439   3.1600   16.380   3.0199   33.400   6.2588   45.224   4.3071 -11.82408 7.597571 
1 1 1   14    3   19 f   50.003   2.8785   19.813   2.2492   20.441   3.0488   19.062   3.3317   50.596   3.8691   48.723   4.4049 1.873539 5.862833 
1 1 1   14    3   20 o   35.071   4.0461   9.9309   2.1861   10.622   3.0843   9.2331   3.0988   35.828   5.6745   33.200   6.1750 2.628098 8.386312 
1 1 1   14    3   21 o   57.481   2.7653   26.225   2.4871   29.641   3.4716   22.622   3.5649   60.868   3.6511   52.931   4.3295 7.937271 5.663492 
1 1 1   14    3   22 o   40.050   3.6885   12.935   2.2922   15.421   3.2726   10.540   3.2116   43.341   4.8973   35.324   6.0085 8.017941 7.751503 
1 1 1   14    3   23 o   30.106   4.9283   7.5717   2.2480   7.3987   3.1770   7.7452   3.1811   28.975   7.0542   29.691   6.9507 -0.7168617 9.903239 
1 1 1   14    3   24 o   46.259   3.3562   17.253   2.4198   16.356   3.4732   18.098   3.3733   44.278   5.0910   46.824   4.6522 -2.545696 6.896497 
1 1 1   14    3   25 o   45.922   2.8985   16.954   2.0781   14.644   2.9399   19.262   2.9379   41.935   4.5397   48.504   3.8923 -6.569202 5.979868 
1 1 1   14    3   26 f   27.344   4.6741   6.4344   1.9336   3.8452   2.7394   9.0057   2.7298   20.601   7.0467   31.858   5.6680 -11.25637 9.043372 
1 1 1   14    3   27 o   17.132   6.0115   2.5733   1.9992   4.4604   2.8443   0.7305   2.8107   21.363   7.1816   15.072   6.5080 6.291020 9.691728 
1 1 1   14    3   28 o   13.834   5.6641   1.1268   1.9571   0.3495   2.7714   1.8999   2.7640   14.255   6.3005   16.346   6.7162 -2.090354 9.208854 
1 1 1   14    3   29 o   16.210   5.6956   2.4119   1.7950   2.1401   2.5783   2.6676   2.5006   16.265   6.5593   17.121   6.5939 -0.8556786 9.300722 
1 1 1   14    3   30 o   21.574   5.2583   4.5892   1.7638   6.3528   2.5141   2.8797   2.4751   24.187   6.4894   16.764   6.5317 7.423317 9.207327 
1 1 1   14    3   31 o   15.603   5.6315   2.5817   1.7661   0.3147   2.6026   4.5165   2.4044   12.684   5.8077   19.283   6.6017 -6.598326 8.792674 
1 1 1   14    4    0 o  361.084   3.2024  1023.54   18.143  1023.54   18.143  1023.54   18.143  361.084   3.2024  361.084   3.2024 0.000000 0.000000 
1 1 1   14    4    1 o  292.363   1.6522  670.782   7.5802  676.205   10.778  665.474   10.663  293.522   2.3399  291.184   2.3335 2.338074 3.304559 
1 1 1   14    4    2 o  303.790   1.6648  724.248   7.9369  715.712   11.142  733.043   11.309  301.973   2.3512  305.607   2.3581 -3.634125 3.329933 
1 1 1   14    4    3 o  117.900   1.6921  109.088   3.1308  113.689   4.5182  104.837   4.3423  120.352   2.3922  115.572   2.3942 4.780045 3.384539 
1 1 1   14    4    4 o  213.125   1.5356  356.458   5.1360  351.857   7.2326  361.139   7.2945  211.730   2.1767  214.505   2.1669 -2.775101 3.071460 
1 1 1   14    4    5 o  355.894   1.7730  994.055   9.9026  985.142   13.912  1003.21   14.099  354.258   2.5024  357.491   2.5131 -3.233246 3.546505 
1 1 1   14    4    6 o  255.430   1.6743  512.053   6.7113  520.296   10.381  506.135   8.7966  257.439   2.5697  253.928   2.2075 3.510498 3.387647 
1 1 1   14    4    7 f  301.608   1.6419  713.955   7.7714  696.523   10.832  732.445   11.156  297.866   2.3173  305.449   2.3274 -7.583740 3.284268 
1 1 1   14    4    8 o  200.894   1.4871  316.753   4.6884  308.956   6.5613  324.887   6.7017  198.380   2.1076  203.431   2.0992 -5.050919 2.974675 
1 1 1   14    4    9 o  233.405   1.6838  427.641   6.1674  424.417   9.0155  430.475   8.4555  232.469   2.4713  234.136   2.3012 -1.667114 3.376814 
1 1 1   14    4   10 o  123.927   1.5667  120.561   3.0470  123.380   4.3363  117.811   4.2824  125.340   2.2046  122.477   2.2280 2.862137 3.134374 
1 1 1   14    4   11 o  174.586   1.4700  239.276   4.0274  238.388   5.6881  240.169   5.7030  174.220   2.0805  174.870   2.0782 -0.6495972 2.940607 
1 1 1   14    4   12 o  149.582   1.4824  175.662   3.4798  175.435   4.9085  175.892   4.9341  149.444   2.0930  149.638   2.1012 -0.1940613 2.965703 
1 1 1   14    4   13 o  124.387   1.5927  121.493   3.1090  126.174   4.3275  116.500   4.4696  126.719   2.1761  121.751   2.3393 4.968094 3.194996 
1 1 1   14    4   14 o   39.785   3.2291   12.546   1.9988   12.547   2.8296   12.545   2.8237   39.573   4.6447   39.573   4.6346 0.4844666E-03 6.561447 
1 1 1   14    4   15 o   49.640   2.8873   19.467   2.2396   18.590   3.1196   20.399   3.2170   48.328   4.1536   50.652   4.0817 -2.324162 5.823452 
1 1 1   14    4   16 o   74.605   2.2676   43.821   2.6518   47.166   3.7085   40.322   3.7933   77.297   3.0633   71.408   3.3948 5.888908 4.572597 
1 1 1   14    4   17 o   19.166   6.1416   2.8839   2.0903   2.7692   2.8073   3.0266   3.1313   19.900   7.1101   20.871   7.5029 -0.9708767 10.33668 
1 1 1   14    4   18 o   19.026   6.1611   2.8379   2.0999   5.3773   2.9212   0.1224   3.0208   25.373   7.0726   16.036   6.8319 9.336933 9.833385 
1 1 1   14    4   19 o   33.575   3.9996   9.0842   2.0660   9.4498   2.9053   8.7102   2.9384   33.830   5.6731   32.357   6.0079 1.472393 8.263083 
1 1 1   14    4   20 o   18.191   5.9615   2.6104   1.9630   1.7067   2.7729   3.5182   2.7794   17.694   6.9078   21.121   7.0992 -3.427786 9.905418 
1 1 1   14    4   21 o   57.510   2.9727   26.306   2.6738   27.311   3.8401   25.361   3.7250   58.203   4.2332   56.065   4.2658 2.138058 6.009765 
1 1 1   14    4   22 o   32.969   4.1832   8.8785   2.1157   13.737   3.0041   4.0978   2.9800   40.906   4.7690   22.225   7.3482 18.68167 8.760114 
1 1 1   14    4   23 o   16.725   6.2384   1.9129   2.1958   5.3095   3.1352  -1.3572   3.0763   24.593   7.4682   14.103   6.4018 10.49043 9.836476 
1 1 1   14    4   24 o   56.225   2.9090   25.304   2.5580   25.695   4.0348   25.041   3.3077   55.822   4.6479   55.540   3.8183 0.2821579 6.015216 
1 1 1   14    4   25 o   13.719   5.7135   0.6239   2.0375   0.2250   2.9068   1.0093   2.8569   15.213   6.5936   16.163   6.7509 -0.9495602 9.436615 
1 1 1   14    4   26 o   52.459   2.7310   22.214   2.2405   23.054   3.0974   21.292   3.2448   52.792   3.7634   50.458   4.1340 2.333454 5.590462 
1 1 1   14    4   27 o   21.882   5.4227   4.3982   1.8526   5.4865   2.6468   3.3529   2.5940   23.641   6.7817   19.048   6.8312 4.592501 9.625874 
1 1 1   14    4   28 o   24.144   5.4828   5.4565   2.0298   8.4705   2.9126   2.6104   2.8303   29.360   6.4940   17.491   6.9330 11.86839 9.499406 
1 1 1   14    4   29 f   13.383   5.4207   1.1670   1.7695  -0.8808   2.5181   3.1649   2.4872   12.158   5.6195   18.003   6.6537 -5.844557 8.709178 
1 1 1   14    4   30 o   14.257   5.4986   1.8255   1.7407   2.0054   2.4940   1.6547   2.4306   15.192   6.3236   14.601   6.1703 0.5912580 8.835173 
1 1 1   14    5    0 f  107.052   4.3071   90.404   7.2091   90.404   7.2091   90.404   7.2091  107.052   4.3071  107.052   4.3071 0.000000 0.000000 
1 1 1   14    5    1 o  471.579   2.3209  1745.49   17.176  1761.72   25.462  1731.94   23.267  473.681   3.4254  469.684   3.1567 3.996887 4.658072 
1 1 1   14    5    2 o  312.518   1.6878  766.476   8.2778  766.687   11.721  766.267   11.692  312.534   2.3897  312.449   2.3846 0.8529663E-01 3.375980 
1 1 1   14    5    3 o   81.569   2.0501   52.254   2.6221   53.016   3.7400   51.516   3.6773   82.126   2.9065   80.955   2.8993 1.171616 4.105277 
1 1 1   14    5    4 o  341.109   1.7430  913.172   9.3304  914.537   13.206  911.812   13.185  341.329   2.4654  340.820   2.4651 0.5089111 3.486393 
1 1 1   14    5    5 o  347.170   1.7526  945.940   9.5482  952.289   13.573  939.720   13.434  348.292   2.4833  345.986   2.4743 2.305573 3.505570 
1 1 1   14    5    6 o  212.291   1.5206  353.695   5.0660  345.147   7.1008  362.557   7.2297  209.688   2.1579  214.912   2.1437 -5.224091 3.041656 
1 1 1   14    5    7 o   37.655   3.4514   11.233   2.0169   12.181   2.8373   10.265   2.8676   39.072   4.7231   35.736   5.2713 3.335693 7.077733 
1 1 1   14    5    8 f   56.122   2.4071   24.778   2.1151   23.296   2.9525   26.341   3.0314   54.334   3.4811   57.801   3.3564 -3.466835 4.835636 
1 1 1   14    5    9 o   63.346   2.5142   31.568   2.4944   34.594   3.5449   28.601   3.5105   66.247   3.4214   60.190   3.7350 6.056850 5.065194 
1 1 1   14    5   10 o  200.553   1.5965  315.762   5.0246  318.992   7.6916  313.358   6.6364  201.508   2.4323  199.749   2.1171 1.758606 3.224620 
1 1 1   14    5   11 o  173.945   1.5762  237.548   4.3025  241.322   6.0901  233.787   6.0792  175.272   2.2141  172.511   2.2456 2.760574 3.153559 
1 1 1   14    5   12 o   13.854   5.6070   0.6392   1.8914  -0.2995   2.6662   1.5901   2.6836   14.661   6.3347   17.619   6.8188 -2.957430 9.307233 
1 1 1   14    5   13 o   36.660   3.4375   10.677   1.9546   10.042   2.7712   11.305   2.7572   35.264   5.1605   37.525   4.7912 -2.261494 7.041764 
1 1 1   14    5   14 o   41.444   3.1672   13.606   2.0443   14.098   2.8203   13.060   2.9675   42.023   4.3389   40.352   4.7788 1.671032 6.454692 
1 1 1   14    5   15 o   95.070   1.7327   71.012   2.5851   71.814   3.6303   70.188   3.6821   95.515   2.4239   94.419   2.4872 1.096245 3.472920 
1 1 1   14    5   16 o   37.877   3.5168   11.423   2.0666   11.689   2.8937   11.146   2.9523   38.051   4.9641   37.089   5.2163 0.9620667 7.200824 
1 1 1   14    5   17 o   43.109   3.3966   14.769   2.2793   13.672   3.1250   16.016   3.3317   41.170   4.9352   44.625   4.8347 -3.455494 6.908683 
1 1 1   14    5   18 o   13.766   5.7955   0.2379   2.1313   3.5059   3.0020  -3.0834   3.0263   21.513   7.3762   12.670   5.9557 8.843606 9.480422 
1 1 1   14    5   19 o   26.300   5.5016   5.7675   2.1976   6.2538   3.0511   5.2432   3.1679   27.140   7.0879   25.029   7.4865 2.110920 10.30952 
1 1 1   14    5   20 o   41.105   3.5638   13.537   2.2762   13.285   3.3437   13.754   3.1074   40.177   5.4430   41.062   4.9201 -0.8843613 7.337194 
1 1 1   14    5   21 o   91.301   2.2747   65.851   3.2592   69.858   4.6828   62.086   4.5390   93.683   3.1899   88.274   3.2823 5.408630 4.576965 
1 1 1   14    5   22 o   57.539   2.4909   26.275   2.2439   28.369   3.2139   24.283   3.1343   59.487   3.4577   54.952   3.6553 4.535553 5.031595 
1 1 1   14    5   23 o   30.794   4.4327   7.8427   2.0804   13.353   3.1180   3.4207   2.7931   40.059   5.0734   20.550   7.1122 19.50937 8.736253 
1 1 1   14    5   24 o   66.364   2.5573   35.098   2.6584   38.350   3.8693   32.191   3.6586   68.867   3.5927   63.013   3.7163 5.853256 5.168955 
1 1 1   14    5   25 o   40.819   3.2099   13.515   2.0397   12.300   2.8905   14.720   2.8785   38.091   4.9528   42.010   4.4331 -3.919449 6.646990 
1 1 1   14    5   26 o   26.207   5.1465   6.0674   2.0410   6.1901   2.9206   5.9502   2.8534   25.354   7.0735   24.896   7.0084 0.4582634 9.957539 
1 1 1   14    5   27 o   9.5190   4.5582  -2.2018   1.9407  -2.7245   2.7979  -1.7170   2.6942   11.499   5.4973   12.071   5.6568 -0.5720196 7.887899 
1 1 1   14    5   28 o   13.879   5.8166   0.9923   2.1317  -0.0936   3.0325   2.0531   2.9971   14.174   6.4027   16.748   6.9484 -2.573895 9.448538 
1 1 1   14    5   29 o   9.9393   4.6193  -0.9812   1.7371  -0.6217   2.5003  -1.3167   2.4153   12.337   5.6649   11.446   5.3613 0.8913174 7.799675 
1 1 1   14    5   30 o   13.583   5.4819   1.5146   1.8024   3.1834   2.6900   0.1550   2.4280   17.016   6.7544   12.529   5.6874 4.486583 8.829926 
1 1 1   14    6    0 o   65.878   3.4742   34.349   3.5688   34.349   3.5688   34.349   3.5688   65.878   3.4742   65.878   3.4742 0.000000 0.000000 
1 1 1   14    6    1 o  385.477   2.2376  1166.31   13.536  1154.47   16.871  1187.70   22.676  383.480   2.8034  388.885   3.7157 -5.404755 4.654627 
1 1 1   14    6    2 o  177.005   1.5455  245.877   4.2929  242.285   6.0439  249.534   6.0987  175.693   2.1921  178.303   2.1796 -2.609482 3.091241 
1 1 1   14    6    3 o   90.334   1.9083   64.046   2.7053   63.097   3.8148   65.005   3.8370   89.609   2.7159   90.956   2.6911 -1.347153 3.823365 
1 1 1   14    6    4 o   94.546   1.8241   70.158   2.7064   70.598   3.7891   69.699   3.8669   94.796   2.5494   94.186   2.6187 0.6096191 3.654730 
1 1 1   14    6    5 o  330.674   1.7176  858.207   8.9132  851.572   12.533  864.997   12.678  329.350   2.4249  331.936   2.4339 -2.585297 3.435716 
1 1 1   14    6    6 o   55.096   2.5016   23.883   2.1573   21.861   3.0413   25.931   3.0606   52.616   3.7070   57.351   3.4161 -4.735142 5.041040 
1 1 1   14    6    7 o  247.589   1.5559  481.138   6.0454  479.560   8.5335  482.728   8.5656  247.145   2.2002  247.960   2.2012 -0.8149719 3.112327 
1 1 1   14    6    8 o  230.738   1.5291  417.897   5.5367  419.172   7.8309  416.623   7.8293  231.048   2.1597  230.344   2.1659 0.7039490 3.058697 
1 1 1   14    6    9 o  291.365   1.8738  666.560   8.5678  675.706   11.313  654.257   13.121  293.287   2.4579  288.531   2.8977 4.756470 3.799745 
1 1 1   14    6   10 o  245.829   1.7170  474.485   6.6240  474.036   9.7211  474.874   9.0503  245.620   2.5220  245.861   2.3457 -0.2400513 3.444232 
1 1 1   14    6   11 o   80.708   1.9957   51.161   2.5277   52.002   3.5483   50.295   3.6016   81.282   2.7859   79.927   2.8761 1.354637 4.004144 
1 1 1   14    6   12 o  129.527   1.6681  131.749   3.3908  133.068   4.7324  130.359   4.8608  130.125   2.3175  128.786   2.4051 1.339050 3.339930 
1 1 1   14    6   13 o   58.355   2.4669   26.823   2.2540   27.273   3.1941   26.375   3.1812   58.734   3.4810   57.750   3.5271 0.9842224 4.955525 
1 1 1   14    6   14 o  150.973   1.6781  179.046   3.9759  175.416   5.7614  182.346   5.4937  149.339   2.4584  152.284   2.2988 -2.944275 3.365730 
1 1 1   14    6   15 o   60.397   2.4249   28.746   2.2937   28.896   3.2395   28.595   3.2481   60.425   3.4304   60.105   3.4582 0.3205528 4.871039 
1 1 1   14    6   16 f  135.139   1.6751  143.512   3.5524  145.760   5.0134  141.244   5.0343  136.096   2.3474  133.963   2.3947 2.132904 3.353297 
1 1 1   14    6   17 o   18.309   6.0046   2.5920   1.9913   5.7016   2.8072  -0.5576   2.8252   26.105   6.7894   14.672   6.4271 11.43373 9.349023 
1 1 1   14    6   18 o   40.660   3.5690   13.196   2.2542   14.977   3.0316   10.994   3.3712   43.122   4.5484   36.464   6.1072 6.658646 7.614804 
1 1 1   14    6   19 o   24.289   5.8794   4.9631   2.2168   3.4108   3.0795   6.6326   3.1936   21.294   7.4617   27.880   7.2368 -6.586250 10.39467 
1 1 1   14    6   20 o   62.786   2.6481   31.236   2.6033   31.189   3.5191   31.294   3.8688   62.479   3.6045   62.467   3.9671 0.1222229E-01 5.360031 
1 1 1   14    6   21 o   67.513   2.8548   36.228   3.0178   39.482   4.2846   33.024   4.2514   70.099   3.9103   63.950   4.2605 6.148689 5.782964 
1 1 1   14    6   22 o   11.996   5.3130  -0.5017   1.9808  -2.9725   2.8260   1.8845   2.7772   11.986   5.6709   17.766   6.9197 -5.780210 8.946606 
1 1 1   14    6   23 o   70.784   2.5236   39.834   2.7988   41.260   3.9492   38.395   3.9672   71.602   3.5255   68.989   3.6776 2.612923 5.094477 
1 1 1   14    6   24 o   29.875   5.2106   7.6111   2.3541   8.4739   3.3084   6.7264   3.3503   30.667   7.0255   27.073   7.5846 3.594757 10.33845 
1 1 1   14    6   25 o   30.113   4.4524   7.6589   2.0407   8.6284   2.9670   6.7885   2.8112   30.976   6.3180   27.224   6.6404 3.751637 9.165808 
1 1 1   14    6   26 o   28.318   4.6487   6.9542   1.9943   9.0356   2.8804   5.0379   2.7639   31.398   6.0653   22.844   7.0266 8.554537 9.282290 
1 1 1   14    6   27 o   35.938   3.8035   10.943   2.1126   10.325   3.2291   11.405   2.7933   32.722   6.5175   35.671   5.1379 -2.949310 8.299170 
1 1 1   14    6   28 o   13.153   5.5320   0.8056   1.9388   2.7573   2.8158  -0.9538   2.6735   17.613   6.9358   12.541   5.7944 5.072043 9.037701 
1 1 1   14    6   29 o   15.274   6.1820   1.8627   2.2994   3.4474   3.2687   0.3102   3.2352   18.396   7.3971   14.529   6.5833 3.866247 9.902349 
1 1 1   14    6   30 o   12.966   5.5482   1.0649   2.0081  -1.3195   2.8992   3.2634   2.7840   11.894   5.6609   16.962   6.8246 -5.068695 8.866823 
1 1 1   14    7    0 o   25.236   10.210   6.9698   3.9514   6.9698   3.9514   6.9698   3.9514   25.236   10.210   25.236   10.210 0.000000 0.000000 
1 1 1   14    7    1 o  201.147   1.5432  317.531   4.8714  318.663   6.8998  316.406   6.8786  201.487   2.1821  200.772   2.1832 0.7148743 3.086740 
1 1 1   14    7    2 o  167.984   1.5927  221.463   4.1986  225.191   6.2027  218.309   5.7040  169.372   2.3336  166.768   2.1795 2.603409 3.193112 
1 1 1   14    7    3 o  165.995   1.5435  216.250   4.0208  226.185   5.7893  206.991   5.5886  169.748   2.1733  162.385   2.1930 7.362732 3.087489 
1 1 1   14    7    4 f  306.352   1.6720  736.604   8.0382  732.975   11.328  740.285   11.408  305.556   2.3624  307.075   2.3674 -1.519440 3.344422 
1 1 1   14    7    5 o   58.201   2.7227   26.659   2.4799   27.873   3.6196   25.584   3.4045   59.424   3.9030   56.928   3.8332 2.496220 5.470533 
1 1 1   14    7    6 o  233.482   1.6482  427.889   6.0391  432.109   8.5825  423.752   8.4993  234.590   2.3313  232.310   2.3313 2.279587 3.296991 
1 1 1   14    7    7 o  105.039   1.8399   86.617   3.0328   84.770   4.2093   88.611   4.3734  103.887   2.5819  106.214   2.6238 -2.326035 3.681128 
1 1 1   14    7    8 o  152.932   1.6470  183.607   3.9527  189.442   5.5963  177.798   5.5836  155.307   2.2962  150.454   2.3649 4.852890 3.296227 
1 1 1   14    7    9 o  281.589   1.8726  622.631   8.2751  611.123   11.470  635.123   11.950  278.875   2.6209  284.289   2.6785 -5.414185 3.747522 
1 1 1   14    7   10 o   68.647   2.6699   37.095   2.8707   35.871   4.0102   38.382   4.1114   67.390   3.8075   69.720   3.7718 -2.329758 5.359386 
1 1 1   14    7   11 o  116.807   1.7299  107.145   3.1710  113.579   4.5138  100.876   4.4557  120.218   2.3926  113.287   2.5063 6.930809 3.464938 
1 1 1   14    7   12 o  157.787   1.6245  195.517   4.0225  191.155   5.5908  200.198   5.7918  155.953   2.2844  159.596   2.3125 -3.643036 3.250551 
1 1 1   14    7   13 o   42.764   3.1777   14.482   2.1173   12.639   2.9828   16.353   3.0060   39.667   4.8954   45.302   4.2790 -5.634968 6.501893 
1 1 1   14    7   14 o  101.328   1.8357   80.680   2.9190   79.282   4.0613   82.174   4.1984  100.343   2.5813  102.152   2.6211 -1.809189 3.678775 
1 1 1   14    7   15 o  200.268   1.6335  315.116   5.1337  310.118   7.1355  320.480   7.3916  198.547   2.2901  201.826   2.3338 -3.279572 3.269712 
1 1 1   14    7   16 o   36.749   3.4317   10.758   1.9562   11.393   2.7843   10.140   2.7489   37.560   4.8359   35.340   5.1044 2.219536 7.031373 
1 1 1   14    7   17 o   64.535   2.2405   32.829   2.2656   29.950   3.1753   35.813   3.2335   61.469   3.3038   67.277   3.0708 -5.807533 4.510541 
1 1 1   14    7   18 o   57.931   2.4019   26.504   2.1789   27.928   3.1085   25.129   3.0549   59.290   3.3546   56.205   3.4806 3.085541 4.834074 
1 1 1   14    7   19 o   65.621   2.2364   34.000   2.2996   30.727   3.2100   37.450   3.2961   62.148   3.3032   68.690   3.0654 -6.542801 4.506435 
1 1 1   14    7   20 o   61.250   2.8399   29.791   2.7223   28.779   3.7829   30.878   3.9207   59.831   4.0529   61.984   4.0529 -2.152821 5.731664 
1 1 1   14    7   21 o   32.354   4.8486   8.6609   2.3861   7.2248   3.6028   9.7830   3.1846   28.598   7.8095   33.917   6.2120 -5.318943 9.978809 
1 1 1   14    7   22 o   14.524   6.0049   0.6864   2.2279  -3.8488   3.1505   5.2231   3.1511   12.198   5.8319   24.450   7.4994 -12.25207 9.500091 
1 1 1   14    7   23 o   26.085   6.2706   5.9609   2.5351   7.2582   3.6923   4.8041   3.4867   28.197   7.9843   23.549   7.9515 4.647499 11.26840 
1 1 1   14    7   24 o   33.329   4.7375   9.3398   2.4082   3.1624   3.4381   15.289   3.3741   20.400   7.7628   42.541   5.1594 -22.14120 9.320989 
1 1 1   14    7   25 o   13.609   5.7356   0.5676   2.0909  -2.0704   3.0132   3.0176   2.9039   12.870   6.0153   19.186   7.1706 -6.316431 9.359529 
1 1 1   14    7   26 o   16.554   6.0461   2.2816   2.0439   7.0456   2.9841  -1.9290   2.8054   26.827   7.0113   12.258   5.7534 14.56914 9.069685 
1 1 1   14    7   27 o   10.359   4.8446  -1.3460   1.9590  -1.5330   2.7825  -1.1621   2.7586   12.351   5.7752   12.638   5.8553 -0.2870560 8.224182 
1 1 1   14    7   28 o   12.573   5.3979   0.5121   1.9124   1.4674   2.7234  -0.4173   2.6862   15.463   6.5328   13.073   5.9529 2.389797 8.838218 
1 1 1   14    7   29 o   11.975   5.3038   0.1982   1.9740   3.5268   2.8427  -2.9017   2.7433   18.209   7.0259   10.796   5.2315 7.413291 8.759706 
1 1 1   14    7   30 f   13.095   5.4686   1.3164   1.8741  -0.1524   2.8221   2.4754   2.5067   12.626   5.8746   15.490   6.3836 -2.864148 8.675300 
1 1 1   14    8    0 o   26.980   8.3051   7.1351   3.0753   7.1351   3.0753   7.1351   3.0753   26.980   8.3051   26.980   8.3051 0.000000 0.000000 
1 1 1   14    8    1 f  304.085   1.6698  725.742   7.9684  736.876   11.366  714.982   11.174  306.367   2.3641  301.781   2.3595 4.585480 3.340080 
1 1 1   14    8    2 o  237.248   1.6162  441.768   6.0172  445.128   8.2676  437.984   8.7743  238.121   2.2125  236.194   2.3672 1.927124 3.240170 
1 1 1   14    8    3 o  254.177   1.7666  507.103   7.0465  504.577   10.252  509.364   9.7015  253.495   2.5770  254.705   2.4271 -1.209854 3.540084 
1 1 1   14    8    4 o  313.155   1.9512  769.824   9.5886  757.286   13.325  783.290   13.809  310.526   2.7344  315.807   2.7863 -5.281281 3.903880 
1 1 1   14    8    5 f  205.066   1.7763  330.100   5.7164  334.184   8.0362  325.918   8.1330  206.288   2.4824  203.717   2.5440 2.571381 3.554466 
1 1 1   14    8    6 o  174.991   1.7781  240.395   4.8829  241.439   6.8209  239.298   6.9934  175.330   2.4790  174.546   2.5531 0.7842102 3.558643 
1 1 1   14    8    7 o  132.221   1.9067  137.267   3.9563  146.413   5.1327  123.879   6.2099  136.528   2.3956  125.494   3.1557 11.03352 3.962020 
1 1 1   14    8    8 o  183.409   1.6234  264.096   4.6726  267.091   6.5872  261.062   6.6290  184.397   2.2764  182.300   2.3171 2.096695 3.248221 
1 1 1   14    8    9 o   78.847   2.1016   48.865   2.5981   49.333   3.6291   48.374   3.7212   79.159   2.9265   78.374   3.0312 0.7845001 4.213392 
1 1 1   14    8   10 o   90.912   2.0996   64.928   2.9954   67.131   3.9342   61.889   4.6205   92.366   2.7171   88.619   3.3283 3.747063 4.296577 
1 1 1   14    8   11 o   52.735   2.7610   21.931   2.2770   22.530   3.1854   21.305   3.2560   53.331   3.8317   51.825   4.0353 1.505516 5.564615 
1 1 1   14    8   12 o   84.131   1.8852   55.607   2.4890   58.425   3.5376   52.845   3.5026   86.147   2.6198   81.914   2.7285 4.233101 3.782615 
1 1 1   14    8   13 o  168.442   1.5296  222.838   4.0433  223.503   5.6868  222.158   5.7501  168.615   2.1491  168.103   2.1797 0.5125885 3.061004 
1 1 1   14    8   14 o  165.915   1.5388  216.236   4.0065  214.393   5.6235  218.136   5.7095  165.116   2.1703  166.549   2.1845 -1.432785 3.079286 
1 1 1   14    8   15 o  119.727   1.7442  112.659   3.2772  113.789   4.3745  111.213   4.9475  120.252   2.3181  118.831   2.6531 1.421387 3.523111 
1 1 1   14    8   16 o  147.044   1.5648  169.912   3.6109  168.054   5.0604  171.839   5.1542  146.130   2.2067  147.763   2.2227 -1.633545 3.132072 
1 1 1   14    8   17 o   28.538   4.5428   6.6410   1.9664   10.306   2.7480   2.7948   2.8150   35.569   5.0661   19.871   7.1175 15.69795 8.736356 
1 1 1   14    8   18 o   60.802   2.3511   29.196   2.2391   28.904   3.1514   29.494   3.1820   60.298   3.3435   60.913   3.3415 -0.6150475 4.727044 
1 1 1   14    8   19 o   19.783   5.9146   3.2384   1.9776   1.3400   2.8507   4.9995   2.7457   17.221   6.9138   24.263   6.8902 -7.041849 9.760871 
1 1 1   14    8   20 o   62.814   2.7474   31.326   2.7017   31.295   4.4992   31.344   3.3786   62.113   4.6496   62.621   3.4514 -0.5080185 5.790559 
1 1 1   14    8   21 f   14.243   5.9885   0.4203   2.2707  -3.1528   3.3673   3.3999   3.0750   13.325   6.2694   20.926   7.4452 -7.601226 9.733272 
1 1 1   14    8   22 o   23.981   6.3968   5.0155   2.4516   4.9341   3.5253   5.0917   3.4117   23.932   7.9946   24.182   7.8549 -0.2496910 11.20772 
1 1 1   14    8   23 o   26.404   6.2528   6.1336   2.5507   1.5620   3.4583   11.587   3.7773   18.233   7.5042   36.185   6.9037 -17.95214 10.19676 
1 1 1   14    8   24 f   21.165   6.7199   3.9693   2.5070   5.6672   3.5007   2.1817   3.5920   24.695   7.9514   19.020   7.7161 5.675087 11.07983 
1 1 1   14    8   25 o   32.548   4.1819   8.9417   2.0867   9.3219   3.0290   8.5983   2.8788   31.940   6.2670   30.697   6.1899 1.243259 8.808532 
1 1 1   14    8   26 f   13.949   5.6860   1.0977   1.9617   6.6673   2.8421  -3.9698   2.7109   26.026   6.8621   10.441   5.0914 15.58564 8.544586 
1 1 1   14    8   27 o   23.142   5.4602   5.0216   1.9508   5.0510   2.8624   4.9960   2.6657   22.034   7.1974   22.092   6.9180 -0.5791283E-01 9.983113 
1 1 1   14    8   28 o   10.374   4.8071  -0.9555   1.8599  -1.7216   2.6801  -0.2439   2.5832   11.757   5.5507   12.981   5.8822 -1.224087 8.087625 
1 1 1   14    8   29 o   8.8211   4.2627  -2.0886   1.7898  -1.6913   2.5985  -2.4472   2.4689   11.240   5.3523   10.364   5.0080 0.8751850 7.329865 
1 1 1   14    8   30 o   11.253   5.1092   0.0463   1.9610  -0.5182   2.7633   0.6191   2.7834   12.105   5.6904   13.205   6.0310 -1.100602 8.291747 
1 1 1   14    9    0 o   86.321   3.9800   58.895   5.3652   58.895   5.3652   58.895   5.3652   86.321   3.9800   86.321   3.9800 0.000000 0.000000 
1 1 1   14    9    1 o  149.860   2.2395  176.327   5.2668  176.108   7.4035  176.550   7.4941  149.722   3.1510  149.908   3.1856 -0.1855164 4.480687 
1 1 1   14    9    2 o  252.023   2.0123  498.637   7.9585  505.211   11.338  492.252   11.174  253.613   2.8487  250.339   2.8443 3.273468 4.025563 
1 1 1   14    9    3 o  221.321   1.9602  384.551   6.8081  371.423   9.4713  398.585   9.7931  217.453   2.7755  225.264   2.7703 -7.811310 3.921426 
1 1 1   14    9    4 o  275.444   1.8724  595.630   8.0934  591.565   11.390  599.777   11.503  274.430   2.6447  276.328   2.6526 -1.897339 3.745753 
1 1 1   14    9    5 o  275.365   1.8751  595.326   8.1030  590.144   11.408  600.603   11.511  274.081   2.6523  276.499   2.6529 -2.417938 3.751385 
1 1 1   14    9    6 o  139.734   1.7067  153.294   3.7425  153.621   5.3868  152.988   5.2033  139.841   2.4546  139.557   2.3758 0.2833405 3.416126 
1 1 1   14    9    7 o   98.049   1.9879   75.498   3.0587   74.225   4.2383   76.882   4.4187   97.140   2.7832   98.859   2.8512 -1.719215 3.984376 
1 1 1   14    9    8 o   99.340   1.8892   77.498   2.9451   74.654   4.2182   80.203   4.1139   97.414   2.7621  100.987   2.5980 -3.572937 3.791937 
1 1 1   14    9    9 o   63.359   2.3662   31.590   2.3486   32.871   3.3048   30.282   3.3382   64.550   3.2731   61.931   3.4484 2.619339 4.754461 
1 1 1   14    9   10 o   64.512   2.5046   32.765   2.5308   32.054   3.3629   33.695   3.8434   63.718   3.3751   65.285   3.7674 -1.567154 5.058135 
1 1 1   14    9   11 o  112.989   1.7589  100.279   3.1187  103.630   4.3226   96.640   4.5040  114.810   2.3992  110.852   2.5891 3.957603 3.529813 
1 1 1   14    9   12 o   84.358   1.9406   55.920   2.5690   53.995   3.6073   57.901   3.6595   82.782   2.7807   85.735   2.7234 -2.952538 3.892199 
1 1 1   14    9   13 o   84.371   1.9405   55.949   2.5693   53.910   3.6289   57.998   3.6384   82.697   2.8003   85.792   2.7058 -3.094727 3.893963 
1 1 1   14    9   14 f   66.807   2.2484   35.150   2.3539   33.833   3.3364   36.455   3.3214   65.407   3.2607   67.922   3.1244 -2.514809 4.516018 
1 1 1   14    9   15 o  161.665   1.5794  205.369   4.0068  211.136   5.7232  199.825   5.6115  163.802   2.2264  159.350   2.2440 4.451523 3.161101 
1 1 1   14    9   16 o  122.621   1.6639  118.202   3.2018  117.889   4.5183  118.518   4.5379  122.343   2.3533  122.668   2.3573 -0.3248520 3.330922 
1 1 1   14    9   17 o   19.089   6.2151   2.8701   2.1353   2.7647   3.0787   2.9678   2.9640   20.172   7.4119   20.373   7.3027 -0.2006702 10.40503 
1 1 1   14    9   18 o   13.967   5.8501   0.3639   2.1544  -5.3245   3.0846   5.7812   3.0102   11.190   5.4510   26.049   7.1486 -14.85869 8.989717 
1 1 1   14    9   19 o   68.099   2.4589   36.701   2.6234   34.510   3.7789   38.740   3.6449   65.682   3.6809   69.717   3.3412 -4.034904 4.971167 
1 1 1   14    9   20 o   15.758   6.0806   1.4512   2.1294   0.4057   2.9656   2.5638   3.0593   15.991   6.7893   19.477   7.3429 -3.485820 10.00064 
1 1 1   14    9   21 o   32.211   4.4415   8.5458   2.1854   7.7775   3.0990   9.3058   3.0822   29.853   6.7713   32.967   6.1848 -3.113571 9.170712 
1 1 1   14    9   22 o   27.835   5.1209   6.5571   2.1545   6.0748   3.1011   7.0072   2.9955   26.081   7.2934   28.128   6.8507 -2.046976 10.00632 
1 1 1   14    9   23 o   10.770   5.0120  -1.6062   2.0555  -1.4997   2.9675  -1.7044   2.8497   13.519   6.1943   13.014   6.0018 0.5054455 8.625079 
1 1 1   14    9   24 o   41.429   3.9596   14.193   2.5430   13.347   3.4416   15.210   3.7741   39.079   5.7864   41.643   5.9437 -2.563564 8.295170 
1 1 1   14    9   25 o   15.564   6.1207   1.6573   2.1903   0.1684   3.1566   3.0397   3.0416   15.203   6.7215   19.026   7.2864 -3.822589 9.913139 
1 1 1   14    9   26 o   13.606   5.6552   0.9159   1.9906   2.7079   2.8876  -0.7069   2.7479   17.898   7.0310   13.128   5.9943 4.770207 9.239415 
1 1 1   14    9   27 o   13.272   5.5698   0.8528   1.9587   0.2604   2.8419   1.3889   2.7033   14.169   6.3145   15.381   6.5039 -1.211796 9.065014 
1 1 1   14    9   28 o   26.225   4.9443   6.3655   1.9602   5.7044   2.8329   6.9727   2.7151   22.840   7.1287   25.879   6.6499 -3.039650 9.748812 
1 1 1   14    9   29 o   21.604   5.5985   4.8331   1.9134   4.5182   2.7310   5.1368   2.6816   19.346   7.0001   20.659   6.9733 -1.312479 9.880736 
1 1 1   14   10    0 o   25.366   8.6708   6.5724   3.0983   6.5724   3.0983   6.5724   3.0983   25.366   8.6708   25.366   8.6708 0.000000 0.000000 
1 1 1   14   10    1 o   48.886   3.2632   18.868   2.4891   17.716   3.5596   19.970   3.4818   47.176   4.8784   50.171   4.4690 -2.994617 6.615991 
1 1 1   14   10    2 o  304.565   1.8158  728.246   8.6785  715.568   12.133  741.526   12.418  301.818   2.5617  307.242   2.5755 -5.423706 3.632570 
1 1 1   14   10    3 o  163.932   1.7683  210.983   4.5491  216.456   6.6610  206.199   6.2276  165.993   2.5571  162.020   2.4493 3.972733 3.540849 
1 1 1   14   10    4 o  106.452   1.9418   88.983   3.2439   85.417   4.5805   92.570   4.5945  104.219   2.8032  108.540   2.6974 -4.320976 3.890236 
1 1 1   14   10    5 o  125.176   1.8868  123.040   3.7065  123.956   5.0482  121.970   5.4593  125.602   2.5612  124.575   2.7925 1.026489 3.789174 
1 1 1   14   10    6 o   88.223   1.9477   61.124   2.6965   57.449   3.8187   64.779   3.8082   85.440   2.8520   90.748   2.6770 -5.308258 3.911574 
1 1 1   14   10    7 o  169.414   1.7323  225.371   4.6056  226.177   6.4432  224.529   6.5859  169.657   2.4200  169.031   2.4828 0.6258087 3.467107 
1 1 1   14   10    8 o   50.751   2.8224   20.316   2.2390   17.191   3.1770   23.400   3.1559   46.479   4.4084   54.382   3.7204 -7.902569 5.768438 
1 1 1   14   10    9 o  100.531   1.8224   79.380   2.8750   81.883   4.1267   77.019   4.0078  102.020   2.5796   98.942   2.5834 3.078568 3.650805 
1 1 1   14   10   10 o   94.983   1.9786   70.883   2.9492   68.345   4.1745   73.413   4.1671   93.156   2.8589   96.563   2.7527 -3.407753 3.968722 
1 1 1   14   10   11 o   35.793   3.9449   10.233   2.1791   8.4682   3.1555   11.841   3.0129   32.035   6.4992   38.322   5.1395 -6.286308 8.285725 
1 1 1   14   10   12 o  102.948   1.8776   83.289   3.0334   83.370   4.3890   83.214   4.1971  102.876   2.7210  102.796   2.6039 0.7973480E-01 3.766170 
1 1 1   14   10   13 o   57.862   2.7710   26.430   2.5088   26.896   3.8602   26.089   3.3011   58.134   4.2608   57.353   3.6873 0.7816505 5.634787 
1 1 1   14   10   14 o  147.079   1.8379  170.057   4.2421  169.446   6.1519  170.612   5.8575  146.660   2.6729  147.193   2.5358 -0.5329742 3.684407 
1 1 1   14   10   15 o   61.334   2.7801   29.724   2.6689   29.082   3.9480   30.263   3.6219   60.401   4.1911   61.715   3.7576 -1.313343 5.628930 
1 1 1   14   10   16 o  103.324   2.0451   84.039   3.3160   82.865   4.8384   85.079   4.5537  102.363   3.0152  103.779   2.7986 -1.415543 4.113872 
1 1 1   14   10   17 o   18.562   6.2280   2.6608   2.1391   0.2128   3.0783   4.9468   2.9747   16.196   6.8981   24.309   7.2508 -8.112572 10.00789 
1 1 1   14   10   18 o   17.268   6.2850   2.0668   2.2059   1.9741   3.2245   2.1483   3.0243   18.942   7.4333   18.868   7.2555 0.7456017E-01 10.38728 
1 1 1   14   10   19 o   60.354   2.6987   28.914   2.5496   31.948   3.6782   26.109   3.5373   63.125   3.7296   56.957   3.9826 6.167686 5.456320 
1 1 1   14   10   20 o   64.735   2.5913   33.276   2.6272   31.644   3.7257   34.889   3.7051   62.698   3.8045   65.932   3.5945 -3.234718 5.234053 
1 1 1   14   10   21 o   64.504   2.6154   33.101   2.6420   32.192   3.7778   33.970   3.6961   63.119   3.8320   64.934   3.6417 -1.815762 5.286428 
1 1 1   14   10   22 f   19.826   6.3728   3.3319   2.2494  -1.3901   3.2121   7.8759   3.1510   14.306   6.5126   29.734   6.8882 -15.42726 9.479509 
1 1 1   14   10   23 o   22.633   6.1158   4.5526   2.2233   4.5714   3.1796   4.5345   3.1101   22.631   7.5930   22.539   7.5086 0.9161186E-01 10.67859 
1 1 1   14   10   24 o   19.753   6.4406   3.5045   2.2926   4.8980   3.1651   1.9663   3.3254   22.747   7.5746   17.961   7.3718 4.786491 10.56970 
1 1 1   14   10   25 o   34.097   4.3488   9.9802   2.2741   9.4124   3.2564   10.521   3.1773   31.239   6.8330   33.581   6.2593 -2.342270 9.266521 
1 1 1   14   10   26 o   20.660   6.5580   4.2290   2.3879   1.0509   3.4242   7.2377   3.3316   16.119   7.0681   26.022   7.6512 -9.902519 10.41629 
1 1 1   14   10   27 o   15.527   6.1258   1.9320   2.2002   1.6511   3.1198   2.2100   3.1033   16.182   6.9198   16.907   7.0469 -0.7248287 9.876368 
1 1 1   14   10   28 o   12.450   5.3878   0.5672   1.9350  -0.7121   2.8222   1.7020   2.6582   12.715   5.9020   15.259   6.4508 -2.543962 8.743374 
1 1 1   14   10   29 o   11.126   5.0344   0.0111   1.8844  -0.0224   2.7175   0.0420   2.6153   12.603   5.8295   12.509   5.7621 0.9344101E-01 8.196678 
1 1 1   14   11    0 o   75.128   3.1803   44.570   3.7342   44.570   3.7342   44.570   3.7342   75.128   3.1803   75.128   3.1803 0.000000 0.000000 
1 1 1   14   11    1 o  166.931   1.7017  218.782   4.4577  218.604   5.9246  219.015   6.7675  166.825   2.2630  166.955   2.5830 -0.1300659 3.434136 
1 1 1   14   11    2 o  135.507   1.6743  144.164   3.5605  142.858   5.0273  145.478   5.0432  134.851   2.3756  136.083   2.3616 -1.231842 3.349706 
1 1 1   14   11    3 o   52.445   2.8669   21.685   2.3506   23.101   3.3038   20.233   3.3451   54.028   3.9233   50.502   4.2605 3.526417 5.791714 
1 1 1   14   11    4 o  171.362   1.5889  230.546   4.2729  236.323   6.0747  224.889   6.0115  173.446   2.2318  169.195   2.2641 4.250961 3.179118 
1 1 1   14   11    5 o   86.791   2.2791   59.222   3.1015   59.745   4.2148   58.604   4.5803   87.103   3.0883   86.235   3.3912 0.8683624 4.586717 
1 1 1   14   11    6 o  191.894   1.6970  289.154   5.1103  285.781   7.1931  292.591   7.2616  190.699   2.4036  192.959   2.3981 -2.259476 3.395275 
1 1 1   14   11    7 o   67.168   2.8890   35.549   3.0381   35.463   4.5010   35.621   4.1176   66.915   4.3091   67.117   3.9265 -0.2021408 5.829761 
1 1 1   14   11    8 o  153.066   1.7454  184.014   4.1926  185.921   5.9845  182.176   5.8754  153.783   2.4798  152.229   2.4594 1.554367 3.492572 
1 1 1   14   11    9 o   60.619   2.7252   28.966   2.5859   24.984   3.6858   32.825   3.6289   56.099   4.2175   64.435   3.6031 -8.335316 5.547056 
1 1 1   14   11   10 o   16.919   6.4204   1.6354   2.3479   2.1296   3.6086   1.2726   3.0918   20.300   7.8931   17.953   7.2028 2.346321 10.68558 
1 1 1   14   11   11 o   67.827   2.4543   36.240   2.6080   35.284   3.7620   37.124   3.6188   66.773   3.6035   68.531   3.3753 -1.758400 4.937354 
1 1 1   14   11   12 o   67.289   2.4790   35.683   2.6133   31.041   3.7774   39.945   3.6192   62.551   3.8671   71.092   3.2527 -8.541309 5.053158 
1 1 1   14   11   13 o   91.328   1.9988   65.589   2.8647   68.079   4.0292   63.045   4.0737   92.911   2.7665   89.383   2.9081 3.528336 4.013771 
1 1 1   14   11   14 o   77.663   2.1328   47.496   2.5969   49.589   3.7328   45.533   3.6150   79.219   3.0081   75.899   3.0412 3.319832 4.277594 
1 1 1   14   11   15 o  106.704   1.8060   89.552   3.0241   85.178   4.2786   93.918   4.2748  103.895   2.6263  109.156   2.4955 -5.260796 3.622872 
1 1 1   14   11   16 o   44.622   3.2336   15.847   2.2489   16.552   3.2012   15.160   3.1602   45.299   4.5653   43.290   4.7286 2.009293 6.572832 
1 1 1   14   11   17 o   27.700   5.1746   6.3749   2.1667   2.3092   3.1290   10.120   3.0032   19.349   7.3952   34.922   5.6747 -15.57333 9.321546 
1 1 1   14   11   18 o   62.911   2.5358   31.354   2.4983   31.000   3.5792   31.691   3.4888   62.226   3.6818   62.963   3.5452 -0.7368584 5.111170 
1 1 1   14   11   19 f   11.980   5.4005  -0.9322   2.1445  -2.6143   3.0720   0.6668   2.9950   13.005   6.0768   16.400   6.8852 -3.395020 9.183330 
1 1 1   14   11   20 f   60.862   2.7275   29.484   2.5984   29.585   3.5985   29.374   3.7560   60.563   3.8055   60.264   3.9941 0.2998695 5.516779 
1 1 1   14   11   21 o   26.150   5.7320   5.8995   2.2872   4.9964   3.1947   6.8492   3.2760   23.847   7.5873   27.611   7.4077 -3.764210 10.60383 
1 1 1   14   11   22 o   15.024   6.1504   0.9732   2.3071  -0.9998   3.2642   2.9427   3.2613   14.737   6.6513   19.906   7.5640 -5.168680 10.07241 
1 1 1   14   11   23 o   20.077   6.4596   3.5552   2.3107   3.4911   3.2711   3.6190   3.2647   20.532   7.6227   20.746   7.6307 -0.2140236 10.78582 
1 1 1   14   11   24 o   19.144   6.4924   3.3065   2.3246   2.0394   3.3068   4.5445   3.2685   17.827   7.3376   21.816   7.6839 -3.989092 10.62468 
1 1 1   14   11   25 o   12.216   5.5059  -0.4369   2.2281  -3.7262   3.1764   2.7498   3.1264   11.690   5.6564   18.212   7.2644 -6.521719 9.206903 
1 1 1   14   11   26 o   15.354   6.1232   1.7772   2.2209   1.1564   3.2082   2.3486   3.0775   15.807   6.8882   17.208   7.0805 -1.401053 9.878328 
1 1 1   14   11   27 o   10.462   4.9457  -1.6174   2.1411  -4.1473   3.0687   0.7825   2.9888   10.913   5.3420   14.807   6.5437 -3.894022 8.447327 
1 1 1   14   11   28 o   14.275   6.0794   1.4505   2.3908   2.1779   3.6312   0.8939   3.1763   16.242   7.1937   14.520   6.5563 1.722717 9.733160 
1 1 1   14   11   29 o   9.6558   4.6737  -2.0389   2.1733  -4.1864   3.1430  -0.0713   3.0085   10.361   5.1347   12.788   5.9878 -2.426437 7.887857 
1 1 1   14   12    0 o  124.730   2.4718  122.308   4.8340  122.308   4.8340  122.308   4.8340  124.730   2.4718  124.730   2.4718 0.000000 0.000000 
1 1 1   14   12    1 o  146.504   1.6656  168.527   3.8293  164.853   5.3748  172.315   5.4570  144.848   2.3645  148.091   2.3481 -3.243301 3.332344 
1 1 1   14   12    2 o  222.292   1.6115  387.977   5.6214  388.130   7.9763  387.826   7.9238  222.262   2.2868  222.177   2.2726 0.8537292E-01 3.224024 
1 1 1   14   12    3 o  159.187   1.6262  198.970   4.0625  198.960   5.7303  198.980   5.7603  159.129   2.2947  159.136   2.3066 -0.7125854E-02 3.253611 
1 1 1   14   12    4 o   33.871   4.3367   9.1928   2.2523   7.8828   3.1556   10.553   3.2157   30.927   6.6962   36.052   5.8867 -5.124998 8.915907 
1 1 1   14   12    5 o   48.706   3.6090   18.784   2.7389   16.450   3.7358   21.498   4.0274   45.294   5.3595   51.922   5.0046 -6.628426 7.332808 
1 1 1   14   12    6 o   74.530   2.3784   43.705   2.7782   47.137   3.9792   40.441   3.8807   77.310   3.2873   71.577   3.4652 5.733482 4.776381 
1 1 1   14   12    7 o  194.162   1.9075  296.164   5.8120  294.535   8.7814  297.434   7.7532  193.475   2.8922  194.486   2.5403 -1.011749 3.849428 
1 1 1   14   12    8 o  111.822   2.0436   98.264   3.5861  103.141   5.0234   93.195   5.1211  114.487   2.7960  108.762   3.0033 5.724648 4.103312 
1 1 1   14   12    9 o   27.854   5.5582   6.3757   2.3444   6.0998   3.3935   6.6277   3.2426   27.179   7.6400   28.235   7.2735 -1.056057 10.54866 
1 1 1   14   12   10 o   38.167   3.8278   11.618   2.2617   10.845   3.1798   12.410   3.2177   36.487   5.7430   39.165   5.3771 -2.677738 7.867366 
1 1 1   14   12   11 o   78.817   2.3117   48.915   2.8562   48.319   4.0888   49.482   3.9915   78.187   3.3401   79.144   3.2205 -0.9568634 4.639787 
1 1 1   14   12   12 o   87.662   2.2617   60.508   3.1088   65.357   4.3292   55.345   4.4670   90.985   3.0362   83.650   3.4100 7.335434 4.565832 
1 1 1   14   12   13 o  100.649   2.1333   79.710   3.3695   77.710   4.6744   81.873   4.8614   99.196   3.0063  101.813   3.0461 -2.616333 4.279751 
1 1 1   14   12   14 o  102.132   2.2215   82.136   3.5605   83.887   5.1397   80.521   4.9372  102.977   3.1843  100.903   3.1217 2.073524 4.459226 
1 1 1   14   12   15 o   32.968   4.7411   8.8573   2.3824   9.0525   3.4626   8.6819   3.2830   32.730   6.9560   32.098   6.7330 0.6320076 9.680853 
1 1 1   14   12   16 o   61.912   2.7188   30.358   2.6351   30.576   3.8212   30.161   3.6387   61.814   3.9600   61.441   3.7923 0.3728867 5.482993 
1 1 1   14   12   17 o   38.215   4.1408   11.822   2.4436   9.9100   3.5302   13.582   3.3860   34.064   6.8416   40.561   5.4578 -6.497437 8.751899 
1 1 1   14   12   18 o   38.888   4.2000   12.289   2.5225   18.517   3.7128   6.9484   3.4379   47.497   5.0589   28.142   7.6051 19.35418 9.134026 
1 1 1   14   12   19 o   34.139   4.8096   9.6472   2.5054   8.3402   3.5734   10.911   3.5136   30.686   7.4878   35.633   6.5236 -4.947147 9.930971 
1 1 1   14   12   20 o   84.067   2.4327   56.107   3.2060   60.215   4.4247   51.567   4.6519   86.696   3.2580   79.970   3.7169 6.725380 4.942670 
1 1 1   14   12   21 o   15.913   6.2183   1.5116   2.2486  -1.4709   3.3644   3.9192   3.0229   14.577   6.6473   21.536   7.4012 -6.958139 9.948082 
1 1 1   14   12   22 o   33.494   4.5836   9.4194   2.3461   11.208   3.4908   7.9457   3.1684   35.510   6.5039   29.533   6.9525 5.976810 9.520349 
1 1 1   14   12   23 o   30.035   5.0193   7.8309   2.2824   5.4251   3.3771   9.8538   3.0966   23.719   7.8216   32.992   6.2088 -9.273096 9.986293 
1 1 1   14   12   24 o   14.084   5.8621   0.9357   2.1431   1.5813   3.0329   0.2918   3.0286   16.598   6.9459   14.958   6.5999 1.639925 9.581466 
1 1 1   14   12   25 o   29.908   4.8123   7.9874   2.1820   10.357   3.1369   5.7660   3.0372   32.786   6.3260   23.421   7.3914 9.364853 9.728839 
1 1 1   14   12   26 o   25.782   5.4590   6.2702   2.1398   3.5214   3.0369   8.9803   3.0155   18.856   7.2655   29.877   6.6071 -11.02080 9.820448 
1 1 1   14   12   27 o   11.127   5.0985  -0.5681   2.0108  -0.2615   2.8757  -0.8615   2.8127   13.310   6.0982   12.619   5.8692 0.6911564 8.463807 
1 1 1   14   12   28 o   11.994   5.3170   0.4578   1.9883  -3.3987   2.8074   4.3390   2.8164   10.296   5.0541   18.690   7.0456 -8.394771 8.670865 
1 1 1   14   13    0 o   13.155   8.2834   0.6590   3.6032   0.6590   3.6032   0.6590   3.6032   13.155   8.2834   13.155   8.2834 0.000000 0.000000 
1 1 1   14   13    1 o   75.578   2.7634   44.979   3.2720   46.163   4.8780   44.010   4.4116   76.410   4.0829   74.642   3.7785 1.767197 5.563011 
1 1 1   14   13    2 o  171.175   2.0584  230.199   5.5294  222.473   7.8237  237.910   7.8159  168.165   2.9646  173.916   2.8637 -5.751709 4.121875 
1 1 1   14   13    3 o   31.518   5.6400   8.1021   2.6872   9.6101   4.1214   6.9869   3.5441   34.014   7.8764   29.060   7.6633 4.954082 10.98921 
1 1 1   14   13    4 o   82.748   2.4649   53.879   3.1973   54.261   4.6211   53.528   4.4283   82.915   3.5598   82.369   3.4334 0.5461884 4.945718 
1 1 1   14   13    5 o   56.782   3.4043   25.488   3.0195   29.260   4.6839   22.806   3.9499   60.614   4.9676   53.501   4.7540 7.113216 6.875850 
1 1 1   14   13    6 o   68.279   2.5571   36.719   2.7351   38.156   3.9343   35.374   3.8051   69.475   3.6211   66.885   3.6388 2.589691 5.133548 
1 1 1   14   13    7 o  123.696   2.1594  120.277   4.1918  119.699   6.0511  120.810   5.8123  123.235   3.1314  123.866   2.9901 -0.6312103 4.329752 
1 1 1   14   13    8 o  141.112   1.8770  156.480   4.1566  159.446   6.0985  153.906   5.6804  142.323   2.7305  139.852   2.5882 2.471573 3.762276 
1 1 1   14   13    9 o   63.550   2.7196   31.856   2.7060   32.378   3.8502   31.347   3.8038   63.901   3.8574   62.869   3.8743 1.032337 5.467138 
1 1 1   14   13   10 o   64.458   2.6894   32.778   2.7145   29.095   3.8261   36.510   3.8518   60.507   4.0527   67.889   3.6286 -7.382034 5.439774 
1 1 1   14   13   11 o   87.618   2.2167   60.442   3.0455   59.912   4.3205   60.965   4.2936   87.079   3.1669   87.851   3.1193 -0.7716293 4.445124 
1 1 1   14   13   12 o  105.103   2.0215   86.899   3.3341   85.058   4.7301   88.717   4.7005  103.802   2.9066  106.030   2.8274 -2.227898 4.054943 
1 1 1   14   13   13 o  127.891   1.8232  128.643   3.6592  131.561   5.0750  125.484   5.2810  129.197   2.5031  126.140   2.6678 3.057060 3.658234 
1 1 1   14   13   14 o   61.542   2.7339   29.964   2.6338   26.412   3.6561   33.795   3.7974   57.477   4.0799   65.143   3.7302 -7.665970 5.528089 
1 1 1   14   13   15 o   59.640   2.9205   28.210   2.7251   21.466   3.6086   37.161   4.1571   51.606   4.5008   68.200   3.9004 -16.59443 5.955724 
1 1 1   14   13   16 o   24.356   6.5603   5.0565   2.5632   9.3377   3.6135   0.7208   3.6365   32.946   7.1914   17.978   7.5696 14.96832 10.44102 
1 1 1   14   13   17 o   76.555   2.5688   46.449   3.0817   43.836   4.2748   49.276   4.4467   73.975   3.6940   78.472   3.6206 -4.497116 5.172497 
1 1 1   14   13   18 o   44.257   3.9697   15.863   2.7278   19.917   3.8810   11.904   3.8348   49.161   5.1048   37.148   6.8298 12.01300 8.526686 
1 1 1   14   13   19 o   70.354   2.6730   39.386   2.9458   38.386   4.2183   40.338   4.1155   68.907   3.9171   70.743   3.7202 -1.836517 5.402133 
1 1 1   14   13   20 o   18.671   6.4838   2.7895   2.3223   0.3829   3.2462   5.3119   3.3235   16.348   7.0258   24.430   7.7347 -8.082506 10.44928 
1 1 1   14   13   21 o   29.264   5.2864   7.3486   2.3384   8.9670   3.3208   5.7567   3.2935   31.551   6.8995   25.044   7.6642 6.506807 10.31224 
1 1 1   14   13   22 o   12.604   5.6822  -0.7378   2.3749   3.0505   3.4257  -4.2433   3.2954   19.885   7.7019   12.018   5.8020 7.866345 9.642756 
1 1 1   14   13   23 o   12.869   5.6815  -0.0993   2.2476  -0.6848   3.1096   0.5412   3.2524   14.194   6.4405   15.795   6.9081 -1.600667 9.444679 
1 1 1   14   13   24 o   17.929   6.3843   2.9379   2.2616  -0.3327   3.1120   6.5986   3.2924   14.266   6.4609   25.055   7.6620 -10.78994 10.02248 
1 1 1   14   13   25 o   12.304   5.5508  -0.3072   2.2704   0.8341   3.2129  -1.4455   3.2088   15.412   6.7990   13.205   6.1835 2.206967 9.190321 
1 1 1   14   13   26 o   14.068   5.9309   1.1239   2.2368   4.5331   3.2035  -2.1193   3.1246   20.331   7.5444   12.345   5.8762 7.985102 9.562785 
1 1 1   14   13   27 o   10.049   4.8112  -1.8670   2.1607   0.4053   3.0666  -4.1074   3.0450   13.941   6.3529   10.582   5.2082 3.359120 8.214871 
1 1 1   14   13   28 o   15.101   6.0294   2.4124   2.1558   1.1166   3.1022   3.6227   2.9981   13.976   6.3768   16.945   6.9820 -2.969310 9.455812 
1 1 1   14   14    0 o   20.328   10.004   4.8507   3.8065   4.8507   3.8065   4.8507   3.8065   20.328   10.004   20.328   10.004 0.000000 0.000000 
1 1 1   14   14    1 o  133.551   1.8650  140.120   3.9086  136.716   5.4239  143.797   5.6374  131.840   2.6216  135.207   2.6569 -3.366837 3.732516 
1 1 1   14   14    2 o   61.559   2.8823   29.887   2.7767   25.279   3.8133   35.090   4.0513   56.406   4.3412   66.581   3.8944 -10.17453 5.832064 
1 1 1   14   14    3 o  171.271   1.7666  230.434   4.7483  229.219   6.6302  231.714   6.8035  170.725   2.4747  171.643   2.5258 -0.9184113 3.536063 
1 1 1   14   14    4 o  110.490   2.0012   95.939   3.4700   97.668   4.8877   94.182   4.9270  111.365   2.7990  109.347   2.8737 2.017960 4.011540 
1 1 1   14   14    5 o  116.659   1.8430  106.933   3.3740  112.402   4.8149  101.657   4.7293  119.528   2.5669  113.661   2.6514 5.867210 3.690383 
1 1 1   14   14    6 o   82.916   2.1617   54.091   2.8104   57.150   3.9749   51.032   3.9742   85.129   2.9800   80.412   3.1555 4.716652 4.340178 
1 1 1   14   14    7 o   81.787   2.2361   52.646   2.8673   52.245   4.2444   52.983   3.8889   81.323   3.3329   81.944   3.0294 -0.6216278 4.503907 
1 1 1   14   14    8 o  111.038   2.1438   96.964   3.7357   91.555   5.1540  102.951   5.4224  107.728   3.0517  114.245   3.0271 -6.517799 4.298414 
1 1 1   14   14    9 f   52.998   2.9378   22.209   2.4338   22.032   3.4443   22.385   3.4397   52.575   4.2097   53.006   4.1687 -0.4306145 5.924462 
1 1 1   14   14   10 o   38.976   3.8593   12.138   2.3296   13.824   3.3475   10.555   3.2440   41.320   5.2832   35.853   5.9760 5.467072 7.976500 
1 1 1   14   14   11 o   52.277   2.9887   21.636   2.4416   28.329   3.5327   15.515   3.3785   59.693   3.7907   43.845   4.9994 15.84838 6.274031 
1 1 1   14   14   12 o  115.983   1.8534  105.818   3.3733  114.768   4.8454   97.399   4.6992  120.651   2.5591  111.118   2.6948 9.533028 3.716356 
1 1 1   14   14   13 o   23.793   6.0575   4.7534   2.2674   6.4870   3.2321   3.0737   3.1816   27.631   7.3331   20.859   7.5544 6.772223 10.52820 
1 1 1   14   14   14 f   15.329   6.1483   1.0045   2.2521  -1.7373   3.2074   3.6710   3.1630   14.305   6.5103   21.849   7.5681 -7.543983 9.983027 
1 1 1   14   14   15 o   72.862   2.4189   41.985   2.7620   38.606   3.9072   45.361   3.9050   69.535   3.5927   75.486   3.3045 -5.950851 4.881350 
1 1 1   14   14   16 f   32.926   4.7241   8.9208   2.3711   15.708   3.4466   2.8216   3.2672   43.715   5.1210   20.265   7.5993 23.44944 9.163772 
1 1 1   14   14   17 o   10.800   5.0976  -2.3572   2.2578  -2.2018   3.2334  -2.5050   3.1541   13.773   6.3665   13.299   6.1956 0.4733496 8.883508 
1 1 1   14   14   18 o   31.469   5.0507   8.2866   2.4099   8.0668   3.4195   8.5035   3.3970   30.156   7.3040   31.047   7.1237 -0.8910847 10.20266 
1 1 1   14   14   19 o   34.863   5.4329   10.286   2.8756   13.076   4.1213   7.6388   4.0142   38.510   7.0803   28.792   8.3799 9.718174 10.97055 
1 1 1   14   14   20 o   13.001   5.8381  -0.7723   2.4793  -1.1351   3.5564  -0.4293   3.4582   15.271   6.9126   15.764   6.9990 -0.4927368 9.837181 
1 1 1   14   14   21 o   14.682   6.3351   0.2902   2.6596   3.0583   3.8771  -2.1700   3.6551   20.507   8.1189   14.418   6.7006 6.089837 10.52678 
1 1 1   14   14   22 o   19.523   7.5726   3.1153   3.3152   2.8881   4.6672   3.3467   4.7100   20.464   8.5936   21.015   8.7138 -0.5506134 12.23845 
1 1 1   14   14   23 o   20.560   6.5165   4.0537   2.3585   8.9032   3.3679  -0.6131   3.3038   29.848   7.2606   14.462   6.5917 15.38584 9.806521 
1 1 1   14   14   24 o   7.9116   3.9727  -5.6854   2.1689  -4.0043   3.1109  -7.2755   3.0255   11.245   5.4770   9.4286   4.7285 1.816544 7.235754 
1 1 1   14   14   25 o   15.248   6.0564   1.8292   2.1641   1.8006   3.1061   1.8562   3.0170   16.294   6.9341   16.270   6.8750 0.2388000E-01 9.764623 
1 1 1   14   14   26 o   13.933   5.7962   1.2912   2.0937   4.1668   2.9808  -1.5091   2.9415   19.378   7.2603   12.281   5.8032 7.096546 9.294544 
1 1 1   14   14   27 o   16.928   6.1558   3.1772   2.1155   3.4832   3.0428   2.8910   2.9431   17.134   7.0441   16.293   6.8318 0.8409271 9.812893 
1 1 1   14   15    0 o  173.566   2.3349  236.778   6.3572  236.778   6.3572  236.778   6.3572  173.566   2.3349  173.566   2.3349 0.000000 0.000000 
1 1 1   14   15    1 o  116.547   1.8349  106.733   3.3561  105.381   4.7180  108.119   4.7749  115.724   2.5980  117.218   2.5957 -1.494003 3.672496 
1 1 1   14   15    2 o   31.226   4.8391   7.9041   2.2947   11.282   3.2685   4.6212   3.2223   37.232   5.7815   24.099   7.6143 13.13283 9.560475 
1 1 1   14   15    3 o   17.373   6.3063   1.9990   2.2188   2.6007   3.1194   1.3830   3.1565   20.157   7.4512   18.237   7.2910 1.919670 10.42493 
1 1 1   14   15    4 o   68.694   2.4809   37.180   2.6701   37.013   3.7706   37.347   3.7817   68.397   3.5248   68.707   3.5191 -0.3096924 4.980747 
1 1 1   14   15    5 o  168.020   1.6915  221.819   4.4601  211.781   6.2148  232.480   6.4047  164.058   2.4139  171.896   2.3742 -7.838165 3.385852 
1 1 1   14   15    6 o   83.179   2.3638   54.486   3.0825   57.545   4.3284   51.338   4.3908   85.350   3.2375   80.566   3.4810 4.784103 4.753829 
1 1 1   14   15    7 o   61.929   2.9028   30.295   2.8132   32.122   3.9562   28.426   4.0011   63.590   3.9845   59.743   4.2963 3.847069 5.859577 
1 1 1   14   15    8 o   83.215   2.6082   54.600   3.4019   54.004   4.3912   55.495   5.3798   82.619   3.3941   83.594   4.1136 -0.9751740 5.333054 
1 1 1   14   15    9 o   53.889   3.2268   23.014   2.7163   23.569   3.7834   22.424   3.9023   54.290   4.4805   52.885   4.7526 1.405552 6.531663 
1 1 1   14   15   10 o   62.472   2.8017   30.848   2.7398   29.345   3.9763   32.207   3.7804   60.650   4.2037   63.644   3.8024 -2.994419 5.668302 
1 1 1   14   15   11 o   13.964   5.9550   0.0577   2.2992  -0.6512   3.2432   0.7740   3.2599   15.617   6.8624   17.433   7.2407 -1.815667 9.976036 
1 1 1   14   15   12 o   57.382   2.8801   26.090   2.5852   27.612   3.7302   24.684   3.5861   58.756   4.0707   55.519   4.1459 3.237312 5.810291 
1 1 1   14   15   13 o   25.365   5.9753   5.4300   2.3391   5.8842   3.3809   5.0130   3.2395   26.292   7.7014   24.502   7.6193 1.790682 10.83350 
1 1 1   14   15   14 o   61.469   2.7665   29.974   2.6619   29.556   3.7798   30.385   3.7493   60.683   3.9912   61.563   3.9009 -0.8797760 5.580988 
1 1 1   14   15   15 o   16.710   6.4014   1.6948   2.3481   4.8057   3.3183  -1.4255   3.3233   23.911   7.7450   14.791   6.6900 9.120062 10.23434 
1 1 1   14   15   16 o   59.696   2.8307   28.367   2.6443   29.784   3.7882   27.020   3.6928   60.749   3.9958   57.809   4.0970 2.939995 5.722919 
1 1 1   14   15   17 o   12.224   5.6149  -1.5277   2.4592  -5.0697   3.4648   2.0680   3.4910   12.211   5.9081   19.217   7.6726 -7.005968 9.683682 
1 1 1   14   15   18 o   38.129   4.4509   11.988   2.6132   14.524   3.7104   9.4918   3.6809   41.319   5.8886   32.552   7.3768 8.767036 9.438868 
1 1 1   14   15   19 o   16.416   6.7570   1.1659   2.8042   2.1190   4.4618   0.5436   3.6053   20.398   8.4715   17.172   7.3924 3.226297 11.24342 
1 1 1   14   15   20 o   25.411   6.1190   5.7608   2.4108   2.9022   3.3833   8.7090   3.4359   19.800   7.6581   30.739   7.2425 -10.93909 10.54047 
1 1 1   14   15   21 o   21.348   6.5258   4.1882   2.3886   5.0996   3.4156   3.3159   3.3415   23.119   7.8694   20.006   7.6433 3.113064 10.97034 
1 1 1   14   15   22 o   12.873   5.7687  -0.3527   2.4068   0.0882   3.3151  -0.8443   3.4999   15.282   6.8148   14.715   6.7364 0.5677748 9.582268 
1 1 1   14   15   23 o   12.611   5.6127  -0.0788   2.2376  -0.7645   3.1812   0.5926   3.1479   13.886   6.3812   15.217   6.7208 -1.331208 9.267610 
1 1 1   14   15   24 o   12.616   5.7036  -0.2771   2.4121   1.4430   3.4383  -1.9440   3.3848   16.298   7.1161   13.089   6.1967 3.209499 9.435968 
1 1 1   14   15   25 o   14.353   6.0736   1.2282   2.3603   7.2537   3.3856  -4.4692   3.2921   24.991   7.7921   11.153   5.4748 13.83732 9.523096 
1 1 1   14   15   26 o   10.763   5.0486  -1.0158   2.1548   0.4571   3.1289  -2.3444   2.9718   13.958   6.3821   11.430   5.5160 2.527371 8.435445 
1 1 1   14   15   27 o   17.114   6.1797   3.4487   2.1271   6.2641   3.0713   0.8535   2.9487   21.100   7.4470   13.484   6.1769 7.615321 9.675346 
1 1 1   14   16    0 o   20.767   9.3104   4.9767   3.2356   4.9767   3.2356   4.9767   3.2356   20.767   9.3104   20.767   9.3104 0.000000 0.000000 
1 1 1   14   16    1 o   87.224   2.1510   59.836   2.9444   60.096   4.1769   59.580   4.1511   87.257   3.0551   86.882   3.0493 0.3747253 4.316457 
1 1 1   14   16    2 o   86.067   2.1805   58.303   2.9427   59.063   4.1477   57.532   4.1756   86.499   3.0604   85.358   3.1225 1.140945 4.372152 
1 1 1   14   16    3 o   80.977   2.2728   51.631   2.8853   49.399   4.0577   53.914   4.1035   79.056   3.2778   82.614   3.1711 -3.557861 4.560659 
1 1 1   14   16    4 o   41.937   3.9531   14.037   2.5710   15.001   3.7358   13.169   3.5435   43.000   5.6747   40.218   5.7803 2.781403 8.100231 
1 1 1   14   16    5 o  109.332   1.9716   93.999   3.3827   95.042   4.8107   92.980   4.7575  109.781   2.7947  108.583   2.7943 1.198105 3.952008 
1 1 1   14   16    6 f   67.767   2.5908   36.229   2.7502   33.675   3.9018   38.752   3.8770   65.118   3.8351   69.929   3.5445 -4.810318 5.222247 
1 1 1   14   16    7 o   50.571   3.2309   20.280   2.5507   20.295   3.6490   20.265   3.5669   50.304   4.6758   50.292   4.5693 0.1218033E-01 6.537715 
1 1 1   14   16    8 o   55.195   3.1243   24.137   2.6951   21.059   3.7311   27.496   3.8974   51.222   4.6937   58.691   4.2606 -7.468498 6.339043 
1 1 1   14   16    9 o   12.043   5.4995  -1.4542   2.3136  -1.1678   3.2576  -1.7456   3.2863   15.100   6.7429   14.588   6.6198 0.5117779 9.449215 
1 1 1   14   16   10 o   55.450   3.0209   24.380   2.6188   22.918   3.7229   25.812   3.6845   53.419   4.4823   56.799   4.1625 -3.379837 6.116963 
1 1 1   14   16   11 o   68.737   2.5900   37.359   2.7888   36.433   3.9165   38.312   3.9720   67.607   3.7057   69.346   3.6629 -1.738289 5.210470 
1 1 1   14   16   12 o   45.401   3.9719   16.565   2.8014   13.122   3.9122   20.189   4.0133   39.550   6.5311   49.755   5.2174 -10.20593 8.359257 
1 1 1   14   16   13 o   49.406   3.9026   19.624   3.0013   17.757   4.1815   21.608   4.3102   46.276   5.8913   51.303   5.4364 -5.026077 8.016313 
1 1 1   14   16   14 f   16.583   6.7695   1.0899   2.7853   4.5579   3.8756  -2.6146   4.0055   23.826   8.3692   15.363   7.0959 8.463167 10.97249 
1 1 1   14   16   15 o   85.782   2.6328   58.415   3.5401   61.518   4.9799   55.244   5.0333   87.580   3.6312   82.858   3.8817 4.722237 5.315381 
1 1 1   14   16   16 o   14.005   6.0581  -0.0239   2.4443   0.9492   3.5868  -0.8676   3.3399   17.871   7.5208   15.258   6.8195 2.613099 10.15224 
1 1 1   14   16   17 o   25.416   6.1150   5.6357   2.4092   2.0928   3.3916   9.2440   3.4228   18.962   7.5654   32.317   6.9552 -13.35505 10.27668 
1 1 1   14   16   18 o   20.631   6.5968   3.6665   2.4126   4.2746   3.4226   3.0660   3.4015   22.405   7.8653   20.334   7.7252 2.070604 11.02460 
1 1 1   14   16   19 o   15.265   6.2543   1.0580   2.3882   1.4426   3.4015   0.6840   3.3538   17.746   7.3857   16.696   7.1578 1.050520 10.28504 
1 1 1   14   16   20 o   18.048   6.5225   2.6750   2.3702   5.4291   3.3270  -0.1633   3.3774   23.872   7.7569   15.534   6.9057 8.337332 10.38552 
1 1 1   14   16   21 o   13.604   5.9026   0.3081   2.3347   2.7942   3.3251  -2.1094   3.2789   18.798   7.4939   13.239   6.2158 5.559158 9.736245 
1 1 1   14   16   22 f   11.401   5.3013  -1.2851   2.2928  -1.0829   3.2462  -1.4863   3.2389   13.782   6.3736   13.419   6.2602 0.3627729 8.933763 
1 1 1   14   16   23 o   12.763   5.6673   0.0793   2.2681   3.6358   3.2328  -3.3681   3.1828   19.156   7.4645   11.731   5.6727 7.425462 9.375413 
1 1 1   14   16   24 o   11.294   5.2526  -1.0600   2.2528  -3.3784   3.1687   1.3095   3.2034   11.572   5.6112   15.680   6.8568 -4.107374 8.860090 
1 1 1   14   16   25 o   13.043   5.6952   0.6834   2.2028   2.7581   3.1792  -1.2321   3.0548   16.949   7.1034   12.586   5.9370 4.363384 9.257771 
1 1 1   14   16   26 o   10.305   4.9183  -1.4335   2.2195   0.9353   3.3218  -3.3442   2.9833   14.127   6.5024   10.567   5.1920 3.559763 8.320971 
1 1 1   14   17    0 o   61.140   4.0117   29.846   3.8106   29.846   3.8106   29.846   3.8106   61.140   4.0117   61.140   4.0117 0.000000 0.000000 
1 1 1   14   17    1 o   36.477   4.4862   10.718   2.5140   11.562   3.4312   9.7405   3.6939   37.541   6.0282   34.125   7.1280 3.416325 9.335316 
1 1 1   14   17    2 o   39.107   4.0747   12.247   2.4641   9.6338   3.5083   14.792   3.4615   34.002   6.8126   42.755   5.2706 -8.752850 8.613385 
1 1 1   14   17    3 o   67.917   2.6190   36.400   2.7861   32.327   3.9920   40.268   3.8903   63.748   4.0107   71.287   3.4881 -7.538570 5.315327 
1 1 1   14   17    4 o   72.754   2.5095   41.749   2.8609   39.415   4.0436   44.089   4.0482   70.479   3.6686   74.594   3.4677 -4.115181 5.048108 
1 1 1   14   17    5 o   93.106   2.1503   68.229   3.1418   70.260   4.5411   66.365   4.3514   94.282   3.0733   91.638   3.0300 2.643745 4.315846 
1 1 1   14   17    6 o   51.077   3.3115   20.713   2.6400   20.997   3.8256   20.455   3.6478   51.095   4.8283   50.468   4.6584 0.6272545 6.709158 
1 1 1   14   17    7 o   82.469   2.3257   53.627   3.0069   54.583   4.2503   52.670   4.2545   83.005   3.2693   81.520   3.3327 1.485588 4.668537 
1 1 1   14   17    8 o   15.396   6.4085   0.5392   2.5615   7.4301   3.6323  -6.2782   3.6129   29.505   7.7473   12.094   5.8929 17.41121 9.733850 
1 1 1   14   17    9 o   57.195   3.2093   25.992   2.8690   26.554   4.0087   25.401   4.1079   57.479   4.4795   56.141   4.7060 1.338238 6.497078 
1 1 1   14   17   10 o   23.860   6.7273   4.8088   2.6270   5.7889   3.6679   3.7766   3.7643   26.184   8.1017   22.696   8.2175 3.487976 11.53971 
1 1 1   14   17   11 o   27.940   5.8957   6.5887   2.5037   9.9455   3.5714   3.3448   3.5108   34.139   6.9039   21.582   7.9174 12.55660 10.50469 
1 1 1   14   17   12 o   40.111   4.1031   13.023   2.5463   14.974   3.6652   11.203   3.5402   42.499   5.6343   36.364   6.4393 6.134476 8.556245 
1 1 1   14   17   13 o   57.834   3.1255   26.687   2.8261   30.820   4.1366   23.070   3.8701   61.721   4.2976   53.205   4.6829 8.515144 6.356021 
1 1 1   14   17   14 o   68.364   2.6492   37.139   2.8368   35.412   4.0132   38.864   4.0105   66.280   3.8753   69.530   3.6887 -3.250359 5.350188 
1 1 1   14   17   15 o   12.648   5.7126  -1.0139   2.4134   2.2124   3.4357  -4.1568   3.3910   19.311   7.6435   12.597   6.0302 6.714032 9.735776 
1 1 1   14   17   16 o   23.917   6.4395   5.0267   2.4703   3.6804   3.4710   6.4086   3.5165   21.556   7.8780   26.598   7.8711 -5.042040 11.13633 
1 1 1   14   17   17 o   24.508   6.4333   5.3293   2.5052   5.6648   3.5689   5.0035   3.5174   24.988   8.0267   23.754   7.9863 1.233885 11.32295 
1 1 1   14   17   18 o   45.086   3.9924   16.720   2.7956   15.858   3.9890   17.552   3.9191   42.618   6.1413   45.207   5.6471 -2.588665 8.343001 
1 1 1   14   17   19 o   30.095   5.8268   8.0470   2.6524   7.9539   3.7315   8.1420   3.7709   28.559   8.0057   28.881   8.0302 -0.3215885 11.33908 
1 1 1   14   17   20 o   25.179   6.4963   6.0064   2.5839   5.6070   3.6543   6.4059   3.6542   23.559   8.1359   24.993   8.1300 -1.434509 11.50173 
1 1 1   14   17   21 o   14.978   6.2521   1.2231   2.4480  -2.7859   3.5815   4.7382   3.3536   13.160   6.2716   21.520   7.7611 -8.360037 9.978325 
1 1 1   14   17   22 o   10.558   5.0523  -2.3340   2.3756  -2.4065   3.4818  -2.2708   3.2494   13.002   6.1927   12.642   6.0101 0.3606491 8.629651 
1 1 1   14   17   23 o   11.159   5.2759  -1.7043   2.4377  -0.5919   3.5069  -2.7443   3.3909   14.263   6.6062   12.446   5.9771 1.817112 8.908843 
1 1 1   14   17   24 o   14.944   6.3349   1.5428   2.5752   4.7214   3.5545  -1.9690   3.7361   20.010   7.8185   13.321   6.3640 6.688659 10.08111 
1 1 1   14   17   25 o   18.505   6.6796   4.0790   2.4848   2.6041   3.3250   5.9447   3.7396   16.051   7.0032   20.222   7.9837 -4.171156 10.61998 
1 1 1   14   17   26 o   16.920   6.4104   3.5574   2.3382   2.7341   3.2075   4.4912   3.4159   15.431   6.8010   17.495   7.3497 -2.064064 10.01353 
1 1 1   14   18    0 o   16.069   8.9823   2.8548   3.3882   2.8548   3.3882   2.8548   3.3882   16.069   8.9823   16.069   8.9823 0.000000 0.000000 
1 1 1   14   18    1 o   72.371   2.5700   41.342   2.9142   43.085   4.1179   39.594   4.1248   73.680   3.5720   70.587   3.7370 3.093315 5.169538 
1 1 1   14   18    2 o   21.444   6.8263   3.6850   2.5856   8.6838   3.5243  -2.1425   3.8052   32.076   7.1807   15.551   7.0829 16.52426 10.08608 
1 1 1   14   18    3 o   54.242   3.4311   23.381   2.9057   21.871   4.0613   24.965   4.1590   52.072   5.0326   55.729   4.8024 -3.656849 6.956288 
1 1 1   14   18    4 o   91.155   2.4663   65.556   3.5248   63.281   4.9247   67.947   5.0473   89.304   3.5209   92.554   3.4812 -3.249763 4.951301 
1 1 1   14   18    5 o   90.627   2.4540   64.814   3.4868   65.933   4.9347   63.697   4.9276   91.153   3.4559   89.575   3.5122 1.577904 4.927413 
1 1 1   14   18    6 o  101.613   2.3012   81.396   3.6696   83.532   5.1586   79.209   5.2211  102.663   3.2058   99.928   3.3341 2.735619 4.625320 
1 1 1   14   18    7 o   26.596   6.7315   6.0065   2.8115   9.2709   3.9401   2.6199   4.0131   32.829   7.7696   21.324   8.3146 11.50483 11.37976 
1 1 1   14   18    8 o   18.825   7.0788   2.2846   2.8391   2.4234   4.0675   2.1526   3.9647   21.077   8.3248   20.539   8.1845 0.5380440 11.67428 
1 1 1   14   18    9 o   20.665   7.1396   3.3008   2.8142   0.1956   3.9951   6.3592   3.9649   18.117   7.7904   27.230   8.4230 -9.113163 11.47330 
1 1 1   14   18   10 o   49.629   3.9659   19.826   3.0631   20.418   4.3475   19.243   4.3163   49.733   5.6717   48.200   5.8243 1.532856 8.129641 
1 1 1   14   18   11 o   11.654   5.5587  -3.4515   2.8266  -0.7333   4.0622  -6.0031   3.9357   17.159   7.6038   12.913   6.2594 4.246696 9.848716 
1 1 1   14   18   12 o   46.768   4.2191   17.759   3.0632   18.497   4.3801   17.052   4.2856   46.918   6.0927   44.950   6.2439 1.968246 8.723898 
1 1 1   14   18   13 o   37.559   5.0513   11.720   2.9019   12.877   4.1382   10.601   4.0704   38.426   7.1248   34.503   7.7117 3.922806 10.49918 
1 1 1   14   18   14 o   18.830   7.1236   2.4567   2.8850  -0.4268   4.1376   5.1851   4.0248   17.373   7.6876   24.590   8.5360 -7.216772 11.48749 
1 1 1   14   18   15 o   12.569   5.8466  -2.0810   2.7927  -0.4415   3.9205  -3.7699   3.9792   16.822   7.4615   14.193   6.7195 2.628991 10.04115 
1 1 1   14   18   16 o   16.360   6.7699   1.1002   2.8350   0.5881   3.9580   1.6397   4.0626   17.845   7.7142   19.221   8.0409 -1.375656 11.14295 
1 1 1   14   18   17 o   17.066   6.8962   1.6294   2.8562   2.5580   4.0261   0.6886   4.0527   20.087   8.1618   17.925   7.7771 2.162661 11.27383 
1 1 1   14   18   18 o   23.964   7.5820   5.4411   3.1940   2.0334   4.4825   8.9558   4.5524   19.686   8.3519   29.597   9.0016 -9.910831 12.27936 
1 1 1   14   18   19 o   23.286   7.5158   5.3535   3.1265   2.8514   4.4299   7.8368   4.4133   19.954   8.3754   26.940   8.9436 -6.985939 12.25295 
1 1 1   14   18   20 o   17.948   7.0563   2.7086   2.9105   4.7444   4.3889   1.1105   3.8884   21.607   8.6108   16.993   7.4888 4.613304 11.41176 
1 1 1   14   18   21 o   16.616   6.7568   2.1711   2.7619   1.8084   4.2145   2.4441   3.6565   17.625   7.7806   17.816   7.5504 -0.1913795 10.84187 
1 1 1   14   18   22 o   13.284   5.9012   0.2583   2.4618   1.2018   3.5651  -0.6017   3.4035   16.035   7.1136   14.093   6.5205 1.942410 9.649874 
1 1 1   14   18   23 o   12.119   5.6578  -1.0435   2.6531   2.8643   3.9363  -4.2965   3.5914   17.779   7.6894   11.753   5.7586 6.026099 9.606622 
1 1 1   14   18   24 o   16.408   6.5203   2.8521   2.5096   1.8290   3.6356   3.7833   3.4684   15.637   7.0417   17.773   7.4321 -2.136849 10.23820 
1 1 1   14   18   25 f   15.099   6.3078   2.4971   2.4949   4.0803   3.6006   1.0349   3.4601   17.012   7.3559   13.995   6.5093 3.017257 9.822412 
1 1 1   14   19    0 o   10.084   7.0519  -3.9597   4.1344  -3.9597   4.1344  -3.9597   4.1344   10.084   7.0519   10.084   7.0519 0.000000 0.000000 
1 1 1   14   19    1 o   19.004   7.0097   2.4264   2.7581   4.4029   3.9833   0.6060   3.8228   24.047   8.4815   18.362   7.7478 5.685614 11.48758 
1 1 1   14   19    2 o   52.797   3.6510   22.244   3.0063   21.152   4.2701   23.318   4.2333   50.966   5.4220   53.649   5.0890 -2.683811 7.436183 
1 1 1   14   19    3 f   62.140   3.2602   30.689   3.1681   26.505   4.5030   34.789   4.4582   57.213   5.0677   65.860   4.3376 -8.647034 6.670571 
1 1 1   14   19    4 o   62.302   3.3952   30.893   3.3070   30.714   4.5288   31.099   4.8403   61.719   4.7113   61.996   5.0179 -0.2769279 6.883046 
1 1 1   14   19    5 o   67.251   2.8182   35.842   2.9677   34.233   4.1911   37.461   4.2027   65.357   4.1071   68.439   3.9296 -3.082138 5.684200 
1 1 1   14   19    6 o   20.880   6.7793   3.5263   2.5415   2.6659   3.6417   4.3433   3.5486   20.710   7.9623   23.381   8.0196 -2.670437 11.30101 
1 1 1   14   19    7 o   72.524   2.6667   41.676   3.0299   44.895   4.3797   38.721   4.1960   74.931   3.7364   69.530   3.8607 5.400398 5.372669 
1 1 1   14   19    8 o   12.981   5.8420  -1.0363   2.4982  -1.2800   3.5484  -0.7969   3.5177   15.509   6.9726   15.926   7.0655 -0.4173002 9.926705 
1 1 1   14   19    9 o   23.082   6.6608   4.5544   2.5461   5.4924   3.7036   3.7138   3.5060   25.351   8.1799   22.043   7.9372 3.307760 11.39783 
1 1 1   14   19   10 o   10.813   5.1711  -3.1691   2.4800  -4.4239   3.5422  -1.9625   3.4735   12.871   6.1617   14.603   6.6949 -1.732641 9.098819 
1 1 1   14   19   11 f   25.240   6.4908   5.5386   2.5853   4.9914   3.6390   6.0963   3.6736   24.213   8.1230   26.262   8.1049 -2.049183 11.47489 
1 1 1   14   19   12 o   22.526   6.6687   4.3964   2.5238   5.8342   3.5864   2.9859   3.5522   25.644   8.0235   20.647   7.8824 4.996643 11.24759 
1 1 1   14   19   13 o   16.822   6.6702   1.5807   2.6207   1.1906   3.8219   1.9268   3.6004   18.482   7.7698   19.062   7.7282 -0.5798264 10.95875 
1 1 1   14   19   14 o   14.036   6.2035  -0.4080   2.6867   0.0488   3.8465  -0.8431   3.7544   17.136   7.5031   16.047   7.1969 1.088331 10.39674 
1 1 1   14   19   15 o   52.846   3.6251   22.695   2.9881   20.192   4.2165   25.221   4.2353   48.675   5.6232   54.914   4.9683 -6.239182 7.503617 
1 1 1   14   19   16 o   31.712   5.6169   8.7567   2.6929   8.0061   3.7205   9.5828   3.9028   28.996   7.9432   31.817   7.8624 -2.821144 11.17639 
1 1 1   14   19   17 o   31.405   5.5130   8.6713   2.6180   11.237   3.7375   6.1996   3.6682   34.712   7.1007   25.191   8.1418 9.520712 10.80323 
1 1 1   14   19   18 o   14.765   6.2658   0.8321   2.5239  -1.1356   3.5482   2.8475   3.5908   14.621   6.7264   19.138   7.7327 -4.517237 10.24889 
1 1 1   14   19   19 o   29.306   5.7350   7.9681   2.5430   1.7764   3.5993   14.139   3.5934   17.349   7.4260   38.889   6.0876 -21.53983 9.602306 
1 1 1   14   19   20 o   20.514   6.6935   4.2690   2.4760   5.3935   3.5317   3.1821   3.4722   22.063   7.9635   18.636   7.5767 3.427681 10.99198 
1 1 1   14   19   21 f   14.646   6.2395   1.2069   2.5195   3.1112   3.7679  -0.3332   3.3885   18.352   7.7149   14.293   6.5746 4.058892 10.13632 
1 1 1   14   19   22 o   11.343   5.3059  -1.1610   2.3522   2.1805   3.3017  -4.6049   3.3518   16.598   7.1087   11.143   5.4806 5.455090 8.976074 
1 1 1   14   19   23 f   13.886   5.9749   1.2609   2.3529   0.1582   3.3609   2.3209   3.2950   13.972   6.4697   16.092   6.9969 -2.120186 9.529651 
1 1 1   14   19   24 o   9.3557   4.5957  -2.9512   2.3334  -3.3293   3.2755  -2.5616   3.3248   10.953   5.3931   11.443   5.5925 -0.4894810 7.769270 
1 1 1   14   20    0 o   18.885   9.6779   4.3362   3.6370   4.3362   3.6370   4.3362   3.6370   18.885   9.6779   18.885   9.6779 0.000000 0.000000 
1 1 1   14   20    1 o   45.317   3.9285   16.518   2.7663   15.878   3.9229   17.152   3.9013   43.781   5.8566   45.642   5.5615 -1.860985 8.076483 
1 1 1   14   20    2 f   39.309   4.4733   12.558   2.7104   15.551   3.8895   9.7316   3.7792   43.302   5.8752   33.578   7.3741 9.723793 9.428451 
1 1 1   14   20    3 o   46.559   3.8322   17.422   2.7753   20.941   3.9086   13.844   3.9412   50.684   4.9783   40.590   6.3991 10.09401 8.107493 
1 1 1   14   20    4 o   14.246   6.4318  -1.3138   3.0557   5.2311   4.4492  -7.1570   4.2040   25.476   8.9657   12.967   6.3270 12.50903 10.97334 
1 1 1   14   20    5 o   33.696   5.2300   9.4204   2.6760   8.5833   3.8071   10.238   3.7622   31.271   7.7876   34.419   7.1972 -3.147747 10.60411 
1 1 1   14   20    6 o   74.262   2.6785   43.757   3.1164   40.862   4.3995   46.673   4.4151   71.298   3.9475   76.322   3.6972 -5.024620 5.408549 
1 1 1   14   20    7 o   46.952   4.1402   17.857   3.0193   15.596   4.2766   20.103   4.2634   42.854   6.5684   49.219   5.6203 -6.365417 8.644701 
1 1 1   14   20    8 o   50.723   4.0788   20.833   3.2194   21.246   4.8409   20.506   4.3108   50.198   6.2823   49.638   5.6335 0.5596924 8.438208 
1 1 1   14   20    9 o   44.935   4.5849   16.549   3.1879   14.104   4.5953   18.818   4.4263   40.011   7.5963   47.203   6.1192 -7.191231 9.754393 
1 1 1   14   20   10 o   17.110   6.9905   1.2870   2.9731   3.3517   4.2068  -0.7735   4.2025   21.987   8.5298   17.198   7.6707 4.788515 11.47157 
1 1 1   14   20   11 f   21.406   7.4444   3.7729   3.0619   3.2429   4.3524   4.2922   4.3081   21.904   8.6238   23.327   8.7307 -1.423410 12.27173 
1 1 1   14   20   12 o   24.432   6.7150   5.2973   2.6539   5.2729   3.7418   5.3219   3.7646   24.412   8.2373   24.506   8.2623 -0.9390831E-01 11.66698 
1 1 1   14   20   13 o   35.946   4.8174   10.828   2.6491   10.872   3.7544   10.784   3.7385   34.800   7.1150   34.657   7.1125 0.1436157 10.06040 
1 1 1   14   20   14 o   35.500   4.9556   10.667   2.6856   15.068   3.8640   6.5531   3.7354   41.578   6.1035   26.367   8.1789 15.21030 10.20526 
1 1 1   14   20   15 o   28.148   6.0978   7.0883   2.6155   7.8310   3.7626   6.3937   3.6384   28.485   8.0579   25.831   8.0814 2.654428 11.41220 
1 1 1   14   20   16 o   24.920   6.5888   5.7949   2.6155   3.3572   3.7216   8.1742   3.6767   20.341   7.9847   28.771   7.9022 -8.429998 11.23389 
1 1 1   14   20   17 o   13.685   6.0278   0.0851   2.5162  -1.0376   3.5675   1.1967   3.5496   14.685   6.7518   16.906   7.3069 -2.220847 9.948702 
1 1 1   14   20   18 o   18.341   7.1666   2.9643   2.9866   1.4665   4.2674   4.4023   4.1814   17.699   7.8207   20.974   8.3893 -3.274078 11.46928 
1 1 1   14   20   19 o   12.523   5.6980  -0.4704   2.4550  -1.7094   3.5040   0.7241   3.4407   13.525   6.3735   15.581   6.9456 -2.055732 9.426657 
1 1 1   14   20   20 o   11.552   5.4048  -1.2672   2.4426  -2.4708   3.4901  -0.1119   3.4196   12.787   6.1204   14.512   6.6492 -1.724647 9.037229 
1 1 1   14   20   21 o   12.407   5.8267  -1.2551   2.8850   3.0866   4.1190  -5.4358   4.0420   18.110   7.8492   11.999   5.9237 6.111579 9.833589 
1 1 1   14   20   22 o   12.526   5.6639   0.1531   2.3801   0.7952   3.3825  -0.4765   3.3496   14.622   6.6667   13.474   6.3121 1.147769 9.180834 
1 1 1   14   20   23 o   12.557   5.6961   0.5340   2.4306  -4.7813   3.3256   6.6289   3.5612   10.376   5.1653   20.757   7.9000 -10.38109 9.438804 
1 1 1   14   21    0 o   29.795   9.3233   9.0713   3.8240   9.0713   3.8240   9.0713   3.8240   29.795   9.3233   29.795   9.3233 0.000000 0.000000 
1 1 1   14   21    1 o   39.873   4.5750   13.003   2.8109   13.562   3.9485   12.428   4.0023   39.941   6.5246   38.003   6.9677 1.938408 9.545665 
1 1 1   14   21    2 o   53.450   3.5298   22.919   2.9442   21.756   4.1494   24.098   4.1781   51.412   5.2151   54.246   4.9629 -2.834644 7.199183 
1 1 1   14   21    3 o   20.116   7.2303   3.0536   2.9078   1.1646   4.1492   4.8766   4.0761   19.302   8.1038   24.411   8.5823 -5.108967 11.80370 
1 1 1   14   21    4 o   33.875   6.4098   9.8320   3.2827   5.2683   5.1320   12.992   4.2706   25.748   9.5500   38.627   7.3129 -12.87939 12.02832 
1 1 1   14   21    5 o   22.952   7.3961   4.4765   3.0285   3.9174   4.1202   5.1337   4.4667   22.858   8.5416   24.997   8.9642 -2.139170 12.38205 
1 1 1   14   21    6 o   37.194   5.6661   11.651   3.2029   9.4777   4.4740   13.935   4.5873   32.200   8.6646   39.742   7.6327 -7.541611 11.54697 
1 1 1   14   21    7 o   12.424   5.8774  -3.1059   3.0335  -3.0783   4.5353  -3.1282   4.0806   15.999   7.4450   14.985   7.0025 1.014159 10.22076 
1 1 1   14   21    8 f   33.882   5.5781   9.7309   2.8628   7.9349   3.9944   11.628   4.1053   29.461   8.2915   36.141   7.4848 -6.680075 11.17012 
1 1 1   14   21    9 o   36.379   5.6955   11.255   3.1450   8.0820   4.3591   14.699   4.5419   29.473   8.7740   40.707   7.3816 -11.23417 11.46607 
1 1 1   14   21   10 o   31.866   6.3555   8.8850   3.0667   6.4328   4.2723   11.492   4.4048   26.500   8.7996   35.325   8.1165 -8.825035 11.97127 
1 1 1   14   21   11 o   26.321   7.6011   6.3379   3.3145   8.6243   5.0253   4.5773   4.4097   29.814   9.5194   23.523   8.8270 6.290548 12.98212 
1 1 1   14   21   12 o   37.441   5.4997   12.009   3.1352   9.4383   4.3700   14.736   4.5004   31.322   8.6201   40.289   7.3902 -8.967682 11.35434 
1 1 1   14   21   13 o   25.050   7.3028   5.8251   3.0463   6.5238   4.3343   5.1430   4.2825   26.028   8.8647   23.848   8.7451 2.179930 12.45224 
1 1 1   14   21   14 o   20.972   7.5891   3.8587   3.2101   3.4568   4.3543   4.3371   4.7511   21.237   8.5382   22.652   8.9812 -1.415270 12.39204 
1 1 1   14   21   15 o   21.100   7.6937   4.1236   3.3077   0.3182   4.7348   7.7510   4.6227   17.939   8.0607   26.861   9.1548 -8.922461 12.19777 
1 1 1   14   21   16 o   15.794   6.8661   0.8332   3.1716  -1.6229   4.5456   3.1634   4.4275   15.798   7.3852   19.961   8.3753 -4.163408 11.16636 
1 1 1   14   21   17 o   16.211   6.9110   1.4953   3.0949  -2.4704   4.5505   4.9084   4.2216   14.924   7.1000   21.486   8.4827 -6.561844 11.06194 
1 1 1   14   21   18 o   13.212   6.1517  -1.1041   3.1035  -6.8706   4.7071   3.3305   4.1278   12.738   6.3074   18.989   8.0336 -6.251028 10.21385 
1 1 1   14   21   19 f   15.798   6.6262   1.8365   2.7698   6.1045   4.1322  -1.6457   3.7325   22.174   8.4926   13.730   6.5024 8.443657 10.69606 
1 1 1   14   21   20 o   8.8394   4.4237  -5.7637   2.5827  -5.1112   3.7194  -6.3713   3.5891   11.556   5.7006   10.752   5.3550 0.8031797 7.821301 
1 1 1   14   21   21 o   18.815   6.8910   4.1026   2.6578   3.8020   3.7664   4.4007   3.7511   18.011   7.6491   18.749   7.7755 -0.7386169 10.90717 
1 1 1   14   21   22 o   9.5317   4.6912  -3.1879   2.4698  -0.8816   3.6410  -5.1534   3.3613   12.898   6.1940   10.269   5.1250 2.629034 8.039338 
1 1 1   14   22    0 o   39.424   8.4145   14.320   4.5739   14.320   4.5739   14.320   4.5739   39.424   8.4145   39.424   8.4145 0.000000 0.000000 
1 1 1   14   22    1 o   25.292   6.9896   5.6309   2.8665   1.1046   4.0461   10.192   4.0616   18.884   7.9696   33.689   7.8315 -14.80519 11.17352 
1 1 1   14   22    2 o   58.536   3.4297   27.536   3.1368   23.800   4.4421   31.252   4.4300   53.495   5.3637   61.804   4.6005 -8.309376 7.066358 
1 1 1   14   22    3 o   72.506   3.0067   41.995   3.4137   43.550   4.8192   40.430   4.8364   73.220   4.2118   70.432   4.3976 2.788116 6.089168 
1 1 1   14   22    4 o   43.989   4.6377   15.941   3.1534   16.956   4.6349   15.067   4.3027   44.177   6.9119   41.654   6.8179 2.523296 9.708680 
1 1 1   14   22    5 o   32.522   5.6271   9.0058   2.7680   10.272   3.9629   7.7991   3.8680   33.783   7.6529   29.211   8.1370 4.572424 11.17042 
1 1 1   14   22    6 o   54.343   3.4896   23.824   2.9603   24.299   4.1327   23.323   4.2423   54.172   4.9148   52.917   5.1747 1.255226 7.136698 
1 1 1   14   22    7 o   33.420   6.3973   9.7570   3.2330   11.454   4.5552   8.0350   4.5893   35.119   8.3820   29.180   9.0680 5.939703 12.34853 
1 1 1   14   22    8 o   17.362   6.8176   1.8556   2.7139   2.3586   3.8354   1.3512   3.8406   19.854   8.0025   18.569   7.7964 1.285542 11.17240 
1 1 1   14   22    9 o   21.374   6.9559   3.9797   2.6748   6.6472   3.8104   1.3884   3.7556   26.710   8.2565   18.402   7.7168 8.308134 11.30130 
1 1 1   14   22   10 f   24.158   6.8581   5.2853   2.7207   1.1920   3.8337   9.4385   3.8616   18.190   7.7209   31.784   7.8010 -13.59326 10.97585 
1 1 1   14   22   11 o   28.875   6.6401   7.5687   2.9460   4.8376   4.3543   9.8742   4.0006   23.422   8.7750   32.214   7.9603 -8.792522 11.84766 
1 1 1   14   22   12 o   15.653   6.5179   1.0539   2.6511  -0.4203   3.7023   2.6051   3.7978   15.961   7.1533   19.608   7.9416 -3.647157 10.68827 
1 1 1   14   22   13 o   13.608   6.0576  -0.2930   2.6077   3.2456   3.7070  -3.7596   3.6691   20.118   7.9469   13.061   6.2578 7.056789 10.11504 
1 1 1   14   22   14 o   21.079   6.9425   4.2608   2.6609   6.0127   3.8218   2.6126   3.7069   24.045   8.3195   18.852   7.7652 5.192924 11.38039 
1 1 1   14   22   15 o   20.858   6.9274   4.3007   2.6477   4.7049   3.6934   3.8735   3.7976   21.444   8.0717   20.231   8.0270 1.213333 11.38351 
1 1 1   14   22   16 f   15.986   6.5127   1.8880   2.5716   5.1127   3.6381  -1.3320   3.6354   21.623   8.0368   14.112   6.5997 7.510274 10.39933 
1 1 1   14   22   17 o   20.600   6.8289   4.4544   2.5733   3.0101   3.5986   5.9657   3.6811   18.180   7.5839   22.536   8.1307 -4.355658 11.11861 
1 1 1   14   22   18 o   15.680   6.4145   1.9817   2.5074  -1.0805   3.5776   4.9380   3.5151   13.836   6.4949   20.632   7.8497 -6.795743 10.18831 
1 1 1   14   22   19 o   12.084   5.6370  -0.9402   2.6257   1.3311   3.7474  -3.1306   3.6801   15.899   7.1554   12.468   6.0458 3.431266 9.367565 
1 1 1   14   22   20 o   11.644   5.4798  -1.0071   2.5751  -1.7292   3.6348  -0.2794   3.6488   12.882   6.1869   13.905   6.5372 -1.022309 9.000750 
1 1 1   14   22   21 o   9.2732   4.6092  -4.1498   2.6065  -5.3494   3.6620  -2.9181   3.7107   10.637   5.3149   11.784   5.7899 -1.146965 7.859497 
1 1 1   14   23    0 o   15.559   9.1708   2.6292   3.8183   2.6292   3.8183   2.6292   3.8183   15.559   9.1708   15.559   9.1708 0.000000 0.000000 
1 1 1   14   23    1 o   26.796   6.5944   6.3705   2.7539   3.5554   3.8760   9.2402   3.9134   21.671   8.2433   31.719   7.8935 -10.04875 11.41313 
1 1 1   14   23    2 o   10.289   5.0220  -4.5066   2.6544  -2.3832   3.7804  -6.5715   3.7280   14.742   6.8386   11.925   5.8477 2.817018 8.997911 
1 1 1   14   23    3 o   42.477   4.3748   14.881   2.8745   11.737   4.0541   18.060   4.0763   36.088   7.4070   46.058   5.7656 -9.970341 9.386490 
1 1 1   14   23    4 o   16.328   6.6673   1.2409   2.7026   3.6560   3.8449  -1.1176   3.7995   21.712   8.2215   15.843   7.1607 5.869199 10.90274 
1 1 1   14   23    5 o   19.907   7.0127   3.2474   2.7225   10.889   3.9098  -3.9453   3.7932   34.631   7.4176   13.573   6.4643 21.05840 9.839078 
1 1 1   14   23    6 o   34.551   5.3825   10.195   2.8234   12.051   4.0536   8.4472   3.9348   36.456   7.3396   29.965   8.1526 6.490883 10.96968 
1 1 1   14   23    7 o   24.928   7.2923   5.6911   3.0330   5.1145   3.9995   6.4716   4.6530   23.905   8.4924   26.209   9.1729 -2.303211 12.50051 
1 1 1   14   23    8 o   22.447   7.3746   4.5426   3.0032   2.3891   4.2055   6.7835   4.2901   20.065   8.2686   26.531   8.8182 -6.466345 12.08839 
1 1 1   14   23    9 o   15.200   6.5951   0.2816   2.9144  -1.7657   4.1242   2.3237   4.1190   15.666   7.2232   19.748   8.1649 -4.082208 10.90140 
1 1 1   14   23   10 o   11.311   5.4419  -3.5223   2.8404   0.8179   3.9809  -8.0229   4.0539   17.676   7.6881   11.761   5.8287 5.915043 9.647892 
1 1 1   14   23   11 o   14.886   6.7404  -0.6922   3.3848  -6.2171   4.6985   5.2682   4.8802   13.754   6.7060   23.523   9.1698 -9.769157 11.36025 
1 1 1   14   23   12 o   20.153   7.3029   3.7649   2.9738   6.0145   4.1939   1.4904   4.2172   23.988   8.6754   18.161   7.9060 5.827160 11.73741 
1 1 1   14   23   13 o   18.315   6.9342   2.9673   2.7349   8.7336   4.0718  -1.7721   3.6915   28.181   8.5010   14.157   6.6303 14.02379 10.78090 
1 1 1   14   23   14 o   11.208   5.3727  -2.6733   2.7116   0.1259   3.8723  -5.3668   3.7984   15.787   7.1726   11.963   5.8740 3.823841 9.270985 
1 1 1   14   23   15 o   13.780   6.1776   0.1314   2.7633   0.9466   3.8963  -0.6936   3.9197   16.291   7.3170   14.914   6.9338 1.377496 10.08047 
1 1 1   14   23   16 o   16.905   6.7921   2.5761   2.7535   5.9999   3.9187  -0.7627   3.8698   22.162   8.3201   14.581   6.8155 7.581344 10.75522 
1 1 1   14   23   17 o   16.831   6.6588   2.6856   2.6064   5.3530   3.6881   0.0243   3.6839   21.012   8.0293   14.790   6.8221 6.221779 10.53619 
1 1 1   14   23   18 o   12.303   5.6584  -0.4044   2.5089  -1.1826   3.5617   0.3620   3.5345   13.445   6.3629   14.644   6.7284 -1.199020 9.260547 
1 1 1   14   23   19 f   15.562   6.3898   2.4245   2.4997  -0.8055   3.4863   5.8420   3.5861   13.152   6.2448   20.373   7.8831 -7.221078 10.05691 
1 1 1   14   23   20 o   10.252   4.9676  -1.9655   2.4722   1.4906   3.5163  -5.3438   3.4765   14.340   6.6324   10.283   5.1440 4.057501 8.393439 
1 1 1   14   24    0 o   24.151   10.280   7.1307   3.9594   7.1307   3.9594   7.1307   3.9594   24.151   10.280   24.151   10.280 0.000000 0.000000 
1 1 1   14   24    1 o   27.677   6.5614   6.8932   2.8062   4.5802   3.9726   9.1969   3.9646   23.000   8.4245   31.188   8.0469 -8.188717 11.65007 
1 1 1   14   24    2 o   28.195   6.5156   7.1450   2.8251   5.3308   4.0346   8.8901   3.9571   24.206   8.5360   30.592   8.1115 -6.386873 11.77545 
1 1 1   14   24    3 o   19.056   7.0110   2.8739   2.7562  -1.8021   3.9090   7.4968   3.8868   15.301   7.0469   27.980   8.2739 -12.67902 10.86816 
1 1 1   14   24    4 o   12.485   5.7989  -1.8248   2.7312   1.5726   3.8371  -5.3136   3.8884   18.530   7.7873   12.822   6.2167 5.708719 9.964424 
1 1 1   14   24    5 o   17.984   6.8959   2.3538   2.7266   3.9955   3.8717   0.7386   3.8404   21.808   8.2519   17.510   7.5841 4.298185 11.20767 
1 1 1   14   24    6 o   28.209   6.4638   7.2352   2.8000   8.0728   3.9933   6.4253   3.9271   28.677   8.3614   25.733   8.4319 2.943979 11.87472 
1 1 1   14   24    7 o   25.499   6.9401   6.0820   2.8508   9.1761   4.0181   2.9459   4.0453   30.520   8.2108   20.265   8.2004 10.25592 11.60448 
1 1 1   14   24    8 f   20.457   7.1029   3.7705   2.7869   2.1360   3.9206   5.4398   3.9621   18.941   7.9098   23.690   8.4487 -4.749063 11.57348 
1 1 1   14   24    9 o   9.0223   4.5291  -7.4112   2.8089 -10.1338   4.0200  -4.8137   3.9265   10.754   5.4010   12.895   6.2510 -2.140940 8.261095 
1 1 1   14   24   10 o   14.807   6.4787   0.4236   2.8630   1.2562   4.1096  -0.3616   3.9909   17.689   7.7503   15.986   7.2702 1.703470 10.62650 
1 1 1   14   24   11 o   15.640   6.8142   0.8465   3.1383  -1.3466   4.4194   3.0774   4.4573   15.663   7.3089   19.672   8.3366 -4.009551 11.08688 
1 1 1   14   24   12 o   17.252   6.7789   2.5362   2.6848   9.5234   3.8181  -4.2973   3.7759   29.509   8.0318   12.479   6.0681 17.02955 10.06633 
1 1 1   14   24   13 o   15.733   6.5447   1.7277   2.6692   5.1423   3.7767  -1.6802   3.7730   21.376   8.1356   13.966   6.5911 7.409978 10.47050 
1 1 1   14   24   14 o   12.120   5.6533  -1.1261   2.6397  -6.7616   3.7423   4.4547   3.7241   10.994   5.4743   20.015   7.9464 -9.020253 9.649495 
1 1 1   14   24   15 o   11.119   5.3104  -2.0794   2.5974  -3.9276   3.6332  -0.1472   3.7147   12.037   5.8752   14.713   6.8090 -2.675251 8.993334 
1 1 1   14   24   16 o   11.827   5.5624  -1.2614   2.6460  -3.5170   3.5795   1.4559   3.9288   12.064   5.8758   16.164   7.2959 -4.099500 9.367805 
1 1 1   14   24   17 o   13.654   6.1476   0.5656   2.7696   0.3024   3.8666   0.8430   3.9691   14.764   6.8718   15.295   7.0642 -0.5302830 9.855187 
1 1 1   14   24   18 o   14.824   6.4212   2.0095   2.7533   0.1550   3.8739   3.9026   3.9140   14.007   6.6308   17.232   7.5564 -3.225441 10.05322 
1 1 1   14   24   19 o   21.605   7.2372   6.6197   2.8887   5.4639   4.0260   7.8461   4.1471   17.809   7.7390   20.428   8.2896 -2.618441 11.34062 
1 1 1   14   25    0 o   8.8603   6.3117  -4.8034   3.8510  -4.8034   3.8510  -4.8034   3.8510   8.8603   6.3117   8.8603   6.3117 0.000000 0.000000 
1 1 1   14   25    1 o   11.273   5.4053  -3.2085   2.7490  -4.9242   3.9341  -1.5715   3.8429   13.002   6.2919   15.122   6.9725 -2.120557 9.391667 
1 1 1   14   25    2 f   28.958   6.3738   7.6677   2.8178   9.7238   4.0295   5.7000   3.9419   31.403   8.1178   24.219   8.4453 7.184237 11.71413 
1 1 1   14   25    3 o   13.947   6.4048  -1.3097   3.1969  -7.6703   4.5658   4.8076   4.4777   12.886   6.3491   22.903   8.8229 -10.01763 10.86989 
1 1 1   14   25    4 o   15.760   6.8943   0.3918   3.2408   1.2952   4.6160  -0.4865   4.5511   18.837   8.2344   17.146   7.7843 1.691206 11.33140 
1 1 1   14   25    5 o   18.140   7.3419   2.2835   3.2432   8.7024   4.7067  -3.5198   4.4753   28.385   9.2264   14.749   7.0237 13.63589 11.59559 
1 1 1   14   25    6 o   19.981   7.5783   3.5547   3.2700   2.9504   4.6637   4.1391   4.5862   20.235   8.5488   21.551   8.7277 -1.316420 12.21696 
1 1 1   14   25    7 o   13.442   6.1558  -0.9172   2.9257  -1.6422   4.1578  -0.2062   4.1175   15.204   7.0931   16.292   7.3998 -1.087867 10.25035 
1 1 1   14   25    8 o   21.563   7.3255   4.6676   2.9595   2.2579   4.1287   7.2143   4.2445   18.534   7.9437   25.339   8.7675 -6.805202 11.83102 
1 1 1   14   25    9 o   17.727   6.9975   2.6747   2.8723   3.9132   4.0755   1.4524   4.0486   20.214   8.2123   17.376   7.6501 2.838074 11.22342 
1 1 1   14   25   10 o   17.874   7.0704   2.8612   2.9381   5.5144   4.1980   0.3139   4.1134   22.037   8.5287   16.166   7.3633 5.871521 11.26749 
1 1 1   14   25   11 o   17.922   7.5971   2.6939   3.7035   4.9610   5.0851   0.1330   5.4046   20.906   8.8837   17.170   8.0351 3.736721 11.97842 
1 1 1   14   25   12 o   15.995   6.8274   1.7896   3.0271   0.7029   4.1146   3.0719   4.4694   16.054   7.3322   18.499   8.0944 -2.445585 10.92154 
1 1 1   14   25   13 o   10.727   5.2376  -3.6179   2.8960  -4.1204   4.0243  -3.0783   4.1707   12.594   6.1549   13.377   6.4747 -0.7828541 8.933344 
1 1 1   14   25   14 o   17.923   7.0759   3.3747   2.9374   5.6634   4.1501   1.0771   4.1581   20.931   8.3627   16.051   7.3461 4.879305 11.13101 
1 1 1   14   25   15 o   11.799   5.6040  -1.5589   2.8110   1.0129   3.9769  -4.1267   3.9738   15.565   7.1461   12.262   6.0182 3.302731 9.342689 
1 1 1   14   25   16 o   15.185   6.6065   1.9658   2.9412   8.3116   3.9800  -5.6692   4.3656   23.604   8.4621   11.869   5.9102 11.73518 10.32171 
1 1 1   14   25   17 o   11.248   5.5694  -3.8243   3.6685 -10.9993   5.1102   3.8054   5.2697   10.839   5.5148   16.513   7.7919 -5.674001 9.546047 
1 1 1   14   25   18 f   11.571   5.5503  -0.7982   2.9044   2.4551   4.0940  -4.0947   4.1211   14.791   6.9446   11.380   5.6786 3.410964 8.970778 
1 1 1   14   26    0 o   13.585   8.6352   1.5506   4.0223   1.5506   4.0223   1.5506   4.0223   13.585   8.6352   13.585   8.6352 0.000000 0.000000 
1 1 1   14   26    1 o   14.524   6.4639   0.0760   2.9678  -7.0647   4.1442   7.5928   4.2519   12.034   5.9514   26.116   8.7807 -14.08226 10.60757 
1 1 1   14   26    2 o   15.993   6.8116   1.2540   3.0015  -0.4032   4.3274   2.7903   4.1667   16.316   7.4773   19.228   8.0997 -2.912035 11.02342 
1 1 1   14   26    3 f   14.010   6.3819  -0.5844   3.0911   1.9193   4.1857  -3.5874   4.5842   18.213   7.9029   14.502   6.9606 3.710283 10.53114 
1 1 1   14   26    4 o   15.881   6.7669   1.2913   2.9646  -3.4515   4.1475   6.2461   4.2391   13.781   6.6162   23.656   8.6963 -9.874535 10.92703 
1 1 1   14   26    5 o   16.016   6.8261   1.3973   3.0181   3.5022   4.3336  -0.5852   4.2057   19.832   8.3012   15.763   7.2775 4.068630 11.03957 
1 1 1   14   26    6 o   17.663   6.9618   2.7249   2.8393   2.7977   4.0313   2.6532   3.9995   18.650   7.9167   18.461   7.8627 0.1891270 11.15782 
1 1 1   14   26    7 o   10.654   5.1795  -3.4991   2.7474  -2.5805   3.9058  -4.3989   3.8654   13.636   6.5126   12.495   6.0902 1.141081 8.916541 
1 1 1   14   26    8 f   16.084   6.7812   1.8059   2.9248  -1.3905   3.8644   6.0923   4.4749   14.265   6.7132   22.319   8.7573 -8.054095 11.03431 
1 1 1   14   26    9 o   13.296   6.0457  -0.1813   2.7580   1.1654   3.8515  -1.5986   3.9513   16.222   7.2813   14.119   6.6876 2.103228 9.886392 
1 1 1   14   26   10 o   12.895   5.9245  -0.4514   2.7400  -3.0115   3.8667   2.1306   3.8832   12.980   6.2708   17.038   7.4971 -4.057970 9.773864 
1 1 1   14   26   11 o   14.524   6.5026   0.7121   3.0508   3.2772   4.1599  -2.2732   4.4877   18.199   7.8879   14.200   6.8339 3.999504 10.43651 
1 1 1   14   26   12 o   20.423   7.2881   4.8466   2.9487   2.7157   4.1241   7.0754   4.2177   17.435   7.6967   22.711   8.6083 -5.276339 11.54739 
1 1 1   14   26   13 o   11.845   5.6288  -1.5631   2.8433  -2.9031   4.0802  -0.2980   3.9645   13.030   6.3296   14.506   6.8183 -1.476224 9.303371 
1 1 1   14   26   14 o   12.981   5.9597   0.1086   2.7654   0.3574   3.9575  -0.1288   3.8659   14.630   6.8561   14.185   6.6874 0.4458799 9.577460 
1 1 1   14   26   15 o   9.8082   4.8271  -3.2477   2.6140  -8.6887   3.6457   2.5089   3.7499   9.5083   4.8191   15.593   7.0742 -6.085056 8.559692 
1 1 1   14   26   16 o   13.163   5.9453   1.2362   2.6141   2.3464   3.6904   0.1182   3.7033   14.782   6.8217   13.142   6.2942 1.639087 9.281795 
1 1 1   14   27    0 o   13.276   8.5103   1.6507   4.0085   1.6507   4.0085   1.6507   4.0085   13.276   8.5103   13.276   8.5103 0.000000 0.000000 
1 1 1   14   27    1 o   16.603   6.8091   2.2086   2.8341   2.1976   4.0079   2.2196   4.0081   17.636   7.6919   17.659   7.6972 -0.2327728E-01 10.88177 
1 1 1   14   27    2 o   15.250   6.5507   1.2835   2.8193   2.1997   3.9214   0.3032   4.0562   17.527   7.6268   15.865   7.2588 1.661875 10.52892 
1 1 1   14   27    3 o   13.522   6.2713  -0.8289   3.1768  -1.9846   4.3734   0.4621   4.6222   14.583   6.9443   16.574   7.6436 -1.990506 10.32706 
1 1 1   14   27    4 o   13.803   6.2233   0.1104   2.8491  -2.6046   4.0811   2.6918   3.9795   13.707   6.5760   17.948   7.7468 -4.240232 10.16152 
1 1 1   14   27    5 o   10.306   5.0497  -3.9122   2.7626  -6.0816   3.9384  -1.8110   3.8760   11.621   5.7571   13.827   6.5709 -2.205738 8.736202 
1 1 1   14   27    6 o   12.418   5.8635  -1.5434   2.9932   0.3244   4.2267  -3.4224   4.2394   15.758   7.2822   13.347   6.4759 2.411143 9.745159 
1 1 1   14   27    7 o   12.265   5.8252  -1.7801   3.0371  -2.1507   4.2650  -1.3989   4.3260   14.026   6.7272   14.569   6.9287 -0.5428429 9.657187 
1 1 1   14   27    8 o   13.017   6.1244  -1.1496   3.2133  -1.5776   4.2673  -0.5891   4.8834   14.284   6.8180   15.588   7.3985 -1.303895 10.06100 
1 1 1   14   27    9 o   13.599   6.2486  -0.0927   3.0490   3.6043   4.3442  -3.6817   4.2803   18.380   8.0125   13.053   6.3724 5.326997 10.23755 
1 1 1   14   27   10 o   12.628   5.9411  -1.0504   3.0228   2.5379   4.3068  -4.5340   4.2436   17.170   7.7037   12.506   6.1540 4.663872 9.859962 
1 1 1   14   27   11 o   16.180   7.0619   2.2913   3.3836   2.4860   4.2880   1.9700   5.5083   16.851   7.6126   17.036   8.0165 -0.1846619 11.05512 
1 1 1   14   27   12 o   10.985   5.3696  -3.1233   3.0685  -2.4647   4.3440  -3.7792   4.3349   13.231   6.4503   12.596   6.2023 0.6351614 8.948425 
1 1 1   14   27   13 o   12.648   5.9518  -0.1854   3.0366  -1.0242   4.2462   0.6925   4.3443   13.408   6.5000   14.480   6.9023 -1.071788 9.481128 
1 1 1   14   27   14 o   10.283   5.0737  -3.1391   2.9513  -2.3648   4.2377  -3.8684   4.1126   12.326   6.0813   11.564   5.7547 0.7617197 8.372499 
1 1 1   14   27   15 o   14.326   6.3928   2.4428   2.9230  -0.7720   4.1754   5.5323   4.0932   12.672   6.2090   16.990   7.5745 -4.317635 9.794142 
1 1 1   14   28    0 o   9.2822   6.7541  -8.8235   5.6312  -8.8235   5.6312  -8.8235   5.6312   9.2822   6.7541   9.2822   6.7541 0.000000 0.000000 
1 1 1   14   28    1 o   17.358   7.6679   2.5689   4.0998   11.698   5.9992  -5.4307   5.6158   26.208   10.181   14.060   6.9489 12.14811 12.32633 
1 1 1   14   28    2 o   12.588   6.0787  -2.7353   3.6230   2.0041   5.1012  -7.5590   5.1464   17.421   8.0328   12.708   6.3421 4.713189 10.23464 
1 1 1   14   28    3 o   13.940   6.5306  -0.6503   3.5862   4.9729   5.6316  -4.4861   4.6512   19.764   8.8428   13.209   6.4885 6.555067 10.96793 
1 1 1   14   28    4 o   14.679   6.6086   0.7998   3.1998   3.2819   4.7222  -1.3075   4.3510   18.150   8.1108   14.450   6.8937 3.700172 10.64461 
1 1 1   14   28    5 o   9.9248   4.9389  -5.4713   3.0279  -4.5610   4.3195  -6.3508   4.2457   12.642   6.2185   11.774   5.8572 0.8684092 8.542636 
1 1 1   14   28    6 o   25.069   7.4947   7.5016   3.1754   7.5970   4.6678   7.4193   4.3323   22.566   8.9164   22.742   8.6995 -0.1763058 12.45725 
1 1 1   14   28    7 o   10.078   4.9875  -4.6018   2.9292  -3.4772   4.1432  -5.7255   4.1417   12.789   6.2491   11.767   5.8422 1.022346 8.554642 
1 1 1   14   28    8 o   21.475   7.6829   5.9621   3.2791   6.8817   4.3568   4.7606   4.9800   21.465   8.5710   18.858   8.3844 2.606678 11.99006 
1 1 1   14   28    9 o   10.360   5.1037  -3.8558   2.9464  -3.2817   4.1332  -4.4490   4.2012   12.601   6.1750   12.157   6.0089 0.4440212 8.616105 
1 1 1   14   28   10 o   9.3134   4.6599  -5.3626   2.8591  -7.6914   4.0962  -3.1502   3.9925   10.586   5.3346   12.211   6.0010 -1.624791 8.029327 
1 1 1   14   28   11 o   13.568   6.2666   0.9983   3.1232   0.9974   4.1156   0.9995   4.7956   14.263   6.7761   14.618   7.0423 -0.3544054 9.772877 
1 1 1   14   28   12 o   16.072   6.7883   3.6400   2.9393   5.8281   4.1994   1.5385   4.1154   17.590   7.7659   14.171   6.7448 3.418909 10.28594 
1 1 1   14   28   13 o   9.1513   4.5880  -4.6869   2.8380  -3.6230   4.0820  -5.6823   3.9484   11.292   5.6376   10.418   5.2483 0.8741617 7.702392 
1 1 1   14   29    0 o   12.061   8.0177   1.0226   4.0584   1.0226   4.0584   1.0226   4.0584   12.061   8.0177   12.061   8.0177 0.000000 0.000000 
1 1 1   14   29    1 o   10.773   5.2414  -2.8876   2.8282  -2.3303   4.0287  -3.4291   3.9712   13.111   6.3500   12.446   6.0890 0.6651001 8.797655 
1 1 1   14   29    2 o   16.560   6.8188   2.8593   2.8570   3.4780   4.0261   2.2317   4.0548   17.549   7.6805   16.359   7.3952 1.190790 10.66205 
1 1 1   14   29    3 o   16.809   6.8869   3.0616   2.8956   3.2301   4.1230   2.8977   4.0677   17.239   7.6486   16.906   7.5430 0.3334084 10.74235 
1 1 1   14   29    4 f   12.588   5.8655  -0.3911   2.8297   4.1520   3.9324  -5.2693   4.0749   18.067   7.7483   11.651   5.7864 6.416061 9.670457 
1 1 1   14   29    5 o   12.428   5.8316  -0.5613   2.8792   1.8077   4.1173  -2.8283   4.0276   15.682   7.2259   12.608   6.1608 3.073956 9.495736 
1 1 1   14   29    6 o   14.039   6.5652   0.5103   3.5975   1.0015   5.0472   0.0031   5.1290   15.382   7.3617   14.900   7.2041 0.4822025 10.30015 
1 1 1   14   29    7 o   20.193   7.4016   5.7932   3.0673   7.3294   4.3809   4.3160   4.2961   20.209   8.3938   17.158   7.6967 3.050756 11.38838 
1 1 1   14   29    8 o   11.161   5.4825  -2.6992   3.3200  -0.3241   4.5448  -5.4169   4.8615   13.661   6.6462   11.906   5.9743 1.755032 8.936689 
1 1 1   14   29    9 o   12.760   5.9838   0.5633   3.0231  -0.5586   4.2638   1.6974   4.2868   13.053   6.3697   14.326   6.8366 -1.272491 9.344062 
1 1 1   14   29   10 o   8.8502   4.4598  -5.5730   2.8639  -7.4710   4.0272  -3.6312   4.0735   9.9860   5.0616   11.294   5.6372 -1.307586 7.576168 
1 1 1   14   30    0 o   13.636   8.6629   3.5044   4.0419   3.5044   4.0419   3.5044   4.0419   13.636   8.6629   13.636   8.6629 0.000000 0.000000 
1 1 1   14   30    1 o   11.345   5.4598  -1.2569   2.8647   3.3023   3.9945  -6.0849   4.1106   15.783   7.2146   10.818   5.4372 4.964892 9.034039 
1 1 1   14   30    2 o   27.749   6.7568   9.5762   2.9144   10.101   4.1852   9.0822   4.0609   23.360   8.6314   22.223   8.4413 1.136908 12.07302 
1 1 1   14   30    3 o   12.405   5.8081   0.2831   2.8298  -3.7249   3.9371   4.5664   4.0700   11.377   5.6567   16.649   7.4779 -5.271287 9.376416 
1 1 1   14   30    4 o   11.728   5.5830  -0.4216   2.8218  -2.2866   3.9690   1.4845   4.0125   11.951   5.8946   14.068   6.6853 -2.116149 8.912858 
1 1 1   14   30    5 o   14.984   6.5232   2.9400   2.8712   3.1645   4.0808   2.7199   4.0405   15.086   7.0344   14.757   6.9192 0.3295908 9.867036 
1 1 1   14   30    6 o   11.192   5.4317  -1.1907   2.9864  -0.1732   4.0040  -2.4663   4.4833   12.749   6.2105   12.082   6.0119 0.6671467 8.643642 
1 1 1   14   30    7 f   16.677   6.8169   4.4405   2.8291   2.4518   3.9529   6.5288   4.0507   14.142   6.6956   17.528   7.6867 -3.386519 10.19394 
1 1 1   15    0    1 o   74.438   3.2890   43.747   3.8249   43.747   3.8249   43.747   3.8249   74.438   3.2890   74.438   3.2890 0.000000 0.000000 
1 1 1   15    0    2 o  113.989   2.3897  102.108   4.2705  102.108   4.2705  102.108   4.2705  113.989   2.3897  113.989   2.3897 0.000000 0.000000 
1 1 1   15    0    3 o   69.058   3.1440   37.666   3.3911   37.666   3.3911   37.666   3.3911   69.058   3.1440   69.058   3.1440 0.000000 0.000000 
1 1 1   15    0    4 o   92.245   2.6293   66.949   3.7992   66.949   3.7992   66.949   3.7992   92.245   2.6293   92.245   2.6293 0.000000 0.000000 
1 1 1   15    0    5 o   96.558   2.5468   73.331   3.8531   73.331   3.8531   73.331   3.8531   96.558   2.5468   96.558   2.5468 0.000000 0.000000 
1 1 1   15    0    6 o  141.273   3.0820  156.904   6.8255  156.904   6.8255  156.904   6.8255  141.273   3.0820  141.273   3.0820 0.000000 0.000000 
1 1 1   15    0    7 o  251.199   2.1958  495.389   8.6547  495.389   8.6547  495.389   8.6547  251.199   2.1958  251.199   2.1958 0.000000 0.000000 
1 1 1   15    0    8 o  318.424   2.3782  796.073   11.882  796.073   11.882  796.073   11.882  318.424   2.3782  318.424   2.3782 0.000000 0.000000 
1 1 1   15    0    9 o   16.279   8.5945   3.0244   2.9294   3.0244   2.9294   3.0244   2.9294   16.279   8.5945   16.279   8.5945 0.000000 0.000000 
1 1 1   15    0   10 o   32.972   6.6504   9.5318   3.0492   9.5318   3.0492   9.5318   3.0492   32.972   6.6504   32.972   6.6504 0.000000 0.000000 
1 1 1   15    0   11 o   60.490   3.5889   29.059   3.3791   29.059   3.3791   29.059   3.3791   60.490   3.5889   60.490   3.5889 0.000000 0.000000 
1 1 1   15    0   12 o   41.826   4.9919   14.348   3.1534   14.348   3.1534   14.348   3.1534   41.826   4.9919   41.826   4.9919 0.000000 0.000000 
1 1 1   15    0   13 o   92.629   2.7782   67.593   4.0303   67.593   4.0303   67.593   4.0303   92.629   2.7782   92.629   2.7782 0.000000 0.000000 
1 1 1   15    0   14 o   25.479   7.3906   6.2639   2.5641   6.2639   2.5641   6.2639   2.5641   25.479   7.3906   25.479   7.3906 0.000000 0.000000 
1 1 1   15    0   15 o   62.247   3.0293   30.681   2.9431   30.681   2.9431   30.681   2.9431   62.247   3.0293   62.247   3.0293 0.000000 0.000000 
1 1 1   15    0   16 o   29.586   6.3241   7.7926   2.5792   7.7926   2.5792   7.7926   2.5792   29.586   6.3241   29.586   6.3241 0.000000 0.000000 
1 1 1   15    0   17 o   59.331   3.1837   27.944   2.9447   27.944   2.9447   27.944   2.9447   59.331   3.1837   59.331   3.1837 0.000000 0.000000 
1 1 1   15    0   18 o   68.460   2.9261   37.094   3.1306   37.094   3.1306   37.094   3.1306   68.460   2.9261   68.460   2.9261 0.000000 0.000000 
1 1 1   15    0   19 o   38.105   4.9175   12.066   2.8060   12.066   2.8060   12.066   2.8060   38.105   4.9175   38.105   4.9175 0.000000 0.000000 
1 1 1   15    0   20 o   59.985   3.3894   28.685   3.1671   28.685   3.1671   28.685   3.1671   59.985   3.3894   59.985   3.3894 0.000000 0.000000 
1 1 1   15    0   21 f   81.165   2.7919   52.145   3.5466   52.145   3.5466   52.145   3.5466   81.165   2.7919   81.165   2.7919 0.000000 0.000000 
1 1 1   15    0   22 o   33.785   5.9836   9.9621   2.8756   9.9621   2.8756   9.9621   2.8756   33.785   5.9836   33.785   5.9836 0.000000 0.000000 
1 1 1   15    0   23 o   15.294   8.7207   2.6694   3.2779   2.6694   3.2779   2.6694   3.2779   15.294   8.7207   15.294   8.7207 0.000000 0.000000 
1 1 1   15    0   24 o   64.830   3.8206   33.851   3.8558   33.851   3.8558   33.851   3.8558   64.830   3.8206   64.830   3.8206 0.000000 0.000000 
1 1 1   15    0   25 o   44.491   5.2058   16.729   3.5046   16.729   3.5046   16.729   3.5046   44.491   5.2058   44.491   5.2058 0.000000 0.000000 
1 1 1   15    0   26 o   52.678   3.7273   22.669   3.0452   22.669   3.0452   22.669   3.0452   52.678   3.7273   52.678   3.7273 0.000000 0.000000 
1 1 1   15    0   27 o   11.127   7.0715   0.8199   2.6963   0.8199   2.6963   0.8199   2.6963   11.127   7.0715   11.127   7.0715 0.000000 0.000000 
1 1 1   15    0   28 o   32.536   6.1113   9.8124   2.7986   9.8124   2.7986   9.8124   2.7986   32.536   6.1113   32.536   6.1113 0.000000 0.000000 
1 1 1   15    0   29 o   18.034   8.4007   4.4608   2.6432   4.4608   2.6432   4.4608   2.6432   18.034   8.4007   18.034   8.4007 0.000000 0.000000 
1 1 1   15    0   30 o   18.394   8.3579   4.8347   2.6089   4.8347   2.6089   4.8347   2.6089   18.394   8.3579   18.394   8.3579 0.000000 0.000000 
1 1 1   15    1    0 o  244.153   2.5523  467.988   9.7766  467.988   9.7766  467.988   9.7766  244.153   2.5523  244.153   2.5523 0.000000 0.000000 
1 1 1   15    1    1 o  146.349   1.6314  168.087   3.7468  172.832   5.5095  164.004   5.1106  148.386   2.3660  144.549   2.2530 3.836792 3.267062 
1 1 1   15    1    2 f  150.520   1.5623  177.802   3.6904  178.264   5.2278  177.344   5.2102  150.702   2.2105  150.313   2.2088 0.3892822 3.124907 
1 1 1   15    1    3 o  421.063   1.9480  1391.53   12.872  1368.57   17.964  1415.76   18.453  417.517   2.7417  424.651   2.7690 -7.134460 3.896691 
1 1 1   15    1    4 o  310.634   1.6741  757.310   8.1611  754.151   11.507  760.505   11.576  309.950   2.3658  311.253   2.3699 -1.302734 3.348671 
1 1 1   15    1    5 o  192.257   1.5634  290.093   4.7168  294.881   6.9673  286.042   6.4087  193.812   2.2907  190.891   2.1393 2.920944 3.134375 
1 1 1   15    1    6 o  118.334   1.9194  109.919   3.5643  108.342   6.0506  110.757   4.4109  117.391   3.2876  118.772   2.3665 -1.381126 4.050778 
1 1 1   15    1    7 o   76.727   1.9900   46.248   2.3941   41.590   3.3583   51.061   3.4139   72.703   2.9496   80.586   2.7034 -7.882484 4.001053 
1 1 1   15    1    8 o  215.999   1.5139  366.217   5.1318  356.991   7.1660  375.930   7.3524  213.222   2.1416  218.805   2.1412 -5.583069 3.028423 
1 1 1   15    1    9 o  148.882   1.7406  174.024   4.0667  169.736   5.7181  178.413   5.7850  146.993   2.4788  150.705   2.4461 -3.712296 3.482509 
1 1 1   15    1   10 o  112.712   1.8325   99.756   3.2414   96.800   4.5776  102.728   4.5905  110.987   2.6282  114.339   2.5583 -3.352203 3.667742 
1 1 1   15    1   11 o  110.042   1.8527   95.098   3.1994   93.724   4.5166   96.482   4.5325  109.196   2.6357  110.794   2.6069 -1.597290 3.707138 
1 1 1   15    1   12 o   79.576   2.1331   49.787   2.6614   49.596   3.7947   49.973   3.7337   79.338   3.0535   79.646   2.9925 -0.3080597 4.275384 
1 1 1   15    1   13 o   25.308   5.0220   5.2435   1.9241   5.6700   2.7460   4.8321   2.6969   26.188   6.6658   24.284   6.8054 1.904062 9.526094 
1 1 1   15    1   14 o  140.839   1.5120  155.781   3.3417  160.286   4.7555  151.386   4.6969  142.798   2.1221  138.773   2.1567 4.025131 3.025696 
1 1 1   15    1   15 o   96.937   1.6947   73.829   2.5780   72.499   3.6371   75.171   3.6546   95.965   2.4170   97.752   2.3823 -1.787132 3.393747 
1 1 1   15    1   16 o   57.187   2.3150   25.775   2.0733   23.702   2.9204   27.881   2.9438   54.688   3.4200   59.370   3.1712 -4.681980 4.663981 
1 1 1   15    1   17 o  121.720   1.5836  116.432   3.0250  111.525   4.2191  121.622   4.3395  119.033   2.2586  124.310   2.2245 -5.277420 3.170110 
1 1 1   15    1   18 o   53.973   2.4346   23.007   2.0568   20.318   2.8739   25.831   2.9449   50.503   3.6508   57.046   3.3037 -6.542786 4.923675 
1 1 1   15    1   19 o   15.167   5.6614   1.4460   1.8091   1.0347   2.5094   1.8910   2.6104   16.024   6.4679   17.740   6.7609 -1.716064 9.356449 
1 1 1   15    1   20 o  127.623   1.6077  128.180   3.2198  132.163   4.5913  124.324   4.5167  129.405   2.2609  125.498   2.2934 3.906967 3.220428 
1 1 1   15    1   21 o   39.840   3.3314   12.725   2.0637   12.185   2.9160   13.267   2.9212   38.493   4.9409   40.270   4.7114 -1.776779 6.827165 
1 1 1   15    1   22 o   36.313   3.7881   10.687   2.1270   12.234   2.9084   8.9075   3.1186   38.480   4.9293   32.188   6.3993 6.291771 8.077744 
1 1 1   15    1   23 o   43.093   3.4241   14.974   2.2966   15.791   3.2530   14.163   3.2427   43.699   4.8238   41.228   5.1221 2.470749 7.035956 
1 1 1   15    1   24 o   15.455   6.2288   1.1919   2.3235   1.1199   3.3004   1.2626   3.2716   17.302   7.2434   17.440   7.2495 -0.1381664 10.24800 
1 1 1   15    1   25 f   17.037   6.2255   2.2616   2.1674   3.6890   3.2082   1.0630   2.9398   20.779   7.5770   16.263   6.8242 4.516048 10.19714 
1 1 1   15    1   26 o   18.865   6.1444   3.2234   2.0868   2.0613   2.9368   4.4085   2.9659   17.340   6.9978   21.499   7.3327 -4.158524 10.13601 
1 1 1   15    1   27 o   14.831   5.7707   1.6157   1.9299   0.7726   2.7189   2.4720   2.7399   14.816   6.3992   17.395   6.8443 -2.579268 9.369865 
1 1 1   15    1   28 o   20.704   5.7020   4.1007   1.9113   7.3684   2.7359   0.9856   2.6713   27.262   6.4891   14.818   6.3710 12.44342 9.093852 
1 1 1   15    1   29 o   19.652   5.6821   3.8137   1.8512   4.6607   2.6162   2.9645   2.6197   20.804   6.8853   17.454   6.7420 3.349586 9.636434 
1 1 1   15    1   30 o   13.545   5.5360   1.4949   1.8655  -0.5010   2.7210   3.2651   2.5626   12.294   5.7364   17.046   6.6448 -4.751822 8.778358 
1 1 1   15    2    0 o  174.385   2.1755  238.764   5.9514  238.764   5.9514  238.764   5.9514  174.385   2.1755  174.385   2.1755 0.000000 0.000000 
1 1 1   15    2    1 f  572.753   2.3971  2575.05   21.546  2596.75   30.714  2554.02   30.233  575.044   3.4035  570.297   3.3781 4.746765 4.795362 
1 1 1   15    2    2 o  207.600   1.5328  338.224   4.9936  338.568   7.0781  337.883   7.0461  207.688   2.1717  207.477   2.1641 0.2101593 3.065870 
1 1 1   15    2    3 o  300.169   1.6630  707.136   7.8336  715.440   11.177  699.118   10.982  301.894   2.3592  298.431   2.3450 3.462646 3.326388 
1 1 1   15    2    4 o  200.096   1.5162  314.222   4.7609  315.695   6.7573  312.771   6.7088  200.544   2.1471  199.614   2.1416 0.9306488 3.032616 
1 1 1   15    2    5 f  417.884   1.9368  1370.71   12.701  1382.89   18.095  1358.88   17.832  419.659   2.7477  416.003   2.7315 3.656952 3.874399 
1 1 1   15    2    6 o  476.357   2.4287  1781.68   18.156  1761.87   31.141  1791.88   22.347  473.389   4.1918  477.638   2.9814 -4.248169 5.143929 
1 1 1   15    2    7 o  346.501   1.7532  942.466   9.5332  937.921   13.431  947.081   13.533  345.593   2.4765  347.276   2.4833 -1.682770 3.507108 
1 1 1   15    2    8 o   22.278   5.8221   4.0597   2.0577   6.7523   2.9011   1.3336   2.9190   28.667   6.5872   17.761   7.0405 10.90639 9.641544 
1 1 1   15    2    9 o   41.925   3.4282   13.915   2.2358   15.335   3.1754   12.519   3.1486   43.868   4.6850   39.504   5.2054 4.363949 7.003277 
1 1 1   15    2   10 o  109.611   1.8734   94.346   3.2225   93.206   4.5539   95.490   4.5607  108.903   2.6646  110.231   2.6364 -1.327827 3.748490 
1 1 1   15    2   11 o   74.464   2.2177   43.601   2.5886   43.421   3.6837   43.776   3.6384   74.227   3.1697   74.536   3.1175 -0.3094788 4.445864 
1 1 1   15    2   12 o   50.865   2.6857   20.400   2.1362   21.546   3.0374   19.279   3.0050   52.162   3.7353   49.303   3.9160 2.858730 5.411768 
1 1 1   15    2   13 f  250.593   1.6575  493.204   6.5183  490.654   9.1913  495.783   9.2454  249.826   2.3444  251.128   2.3460 -1.301956 3.316606 
1 1 1   15    2   14 o  124.105   1.5712  120.973   3.0600  121.817   4.3257  120.127   4.3292  124.477   2.2144  123.608   2.2318 0.8687134 3.143975 
1 1 1   15    2   15 o   46.321   2.7097   16.950   1.9611   15.960   2.7768   17.936   2.7701   44.761   3.9951   47.511   3.7456 -2.749794 5.476348 
1 1 1   15    2   16 o  130.440   1.5615  133.680   3.1965  132.956   4.4913  134.422   4.5503  130.004   2.2014  130.716   2.2182 -0.7119293 3.125191 
1 1 1   15    2   17 o  109.354   1.6456   93.990   2.8240   89.922   3.9901   98.074   3.9975  106.862   2.3793  111.616   2.2822 -4.754196 3.296909 
1 1 1   15    2   18 o   68.289   2.0889   36.749   2.2360   38.221   3.2131   35.368   3.1135   69.497   2.9528   66.843   2.9756 2.653831 4.192086 
1 1 1   15    2   19 o   77.071   1.9910   46.815   2.4061   48.201   3.4024   45.429   3.4030   78.041   2.7826   75.740   2.8682 2.300423 3.996208 
1 1 1   15    2   20 o   57.708   2.4274   26.355   2.1933   25.578   3.0702   27.164   3.1345   56.598   3.4734   58.342   3.4388 -1.744457 4.887719 
1 1 1   15    2   21 o   81.085   1.9741   51.866   2.5120   57.387   3.5907   46.574   3.5154   85.055   2.6935   76.537   2.9322 8.517509 3.981588 
1 1 1   15    2   22 f   70.406   2.2963   39.265   2.5338   37.836   3.5293   40.785   3.6399   68.777   3.2794   71.421   3.2561 -2.644302 4.621353 
1 1 1   15    2   23 o   14.422   5.9040   0.8038   2.1260   0.2302   2.9935   1.3877   3.0199   15.661   6.7390   17.314   7.0560 -1.652140 9.757148 
1 1 1   15    2   24 o   44.348   3.3142   15.900   2.2899   17.272   3.2355   14.522   3.2412   45.644   4.5788   41.566   5.0739 4.077419 6.834453 
1 1 1   15    2   25 o   37.678   4.0011   11.784   2.3297   9.7561   3.4040   13.571   3.1952   32.584   6.8736   39.718   5.2551 -7.133961 8.652353 
1 1 1   15    2   26 o   14.952   5.9243   1.4540   2.0659   1.3196   2.9391   1.5852   2.9045   16.232   6.8182   16.555   6.8517 -0.3231525 9.666065 
1 1 1   15    2   27 o   14.592   5.8675   1.3950   2.0566   3.3538   2.8960  -0.5979   2.9210   19.008   7.1489   13.611   6.2017 5.396633 9.464008 
1 1 1   15    2   28 o   22.953   5.4973   4.9695   1.9540   6.5321   2.8911   3.6554   2.6513   25.083   7.0522   19.224   6.9048 5.858784 9.869625 
1 1 1   15    2   29 o   13.872   5.6555   1.3472   1.9408   1.4661   2.7724   1.2329   2.7180   15.201   6.5121   14.820   6.3994 0.3812342 9.130208 
1 1 1   15    2   30 o   12.637   5.4107   0.9524   1.9120  -0.0084   2.7324   1.8741   2.6764   12.753   5.8799   14.870   6.3849 -2.116614 8.679841 
1 1 1   15    3    0 o  310.080   2.3813  754.732   11.586  754.732   11.586  754.732   11.586  310.080   2.3813  310.080   2.3813 0.000000 0.000000 
1 1 1   15    3    1 o  230.005   1.5596  415.174   5.6292  410.690   7.9368  419.712   7.9853  228.738   2.2111  231.238   2.2005 -2.499176 3.119458 
1 1 1   15    3    2 o   99.172   1.8772   77.192   2.9215   80.467   4.0504   73.642   4.2178  101.210   2.5522   96.809   2.7792 4.401146 3.773257 
1 1 1   15    3    3 o  106.407   1.7430   88.864   2.9105   90.245   4.1542   87.532   4.0790  107.217   2.4690  105.593   2.4616 1.623322 3.486430 
1 1 1   15    3    4 o  173.545   1.5252  236.370   4.1538  235.522   5.8472  237.235   5.9020  173.215   2.1511  173.843   2.1634 -0.6284027 3.050796 
1 1 1   15    3    5 o  237.243   1.5582  441.748   5.8014  438.423   8.1685  445.132   8.2407  236.319   2.2026  238.120   2.2053 -1.801117 3.116845 
1 1 1   15    3    6 o  256.625   1.6314  516.908   6.5698  513.591   9.0086  520.676   9.6020  255.763   2.2445  257.512   2.3761 -1.748535 3.268525 
1 1 1   15    3    7 o  188.404   1.6138  278.625   4.7714  274.302   6.7004  283.073   6.7961  186.901   2.2844  189.866   2.2809 -2.964767 3.228177 
1 1 1   15    3    8 o  177.675   1.7229  247.831   4.8040  240.391   6.7188  255.612   6.8716  174.941   2.4473  180.396   2.4273 -5.454987 3.446917 
1 1 1   15    3    9 o  223.071   1.7537  390.693   6.1393  396.197   8.7648  385.390   8.6020  224.566   2.4871  221.483   2.4749 3.082504 3.508638 
1 1 1   15    3   10 o  111.415   1.8752   97.481   3.2787   98.206   4.6855   96.786   4.5897  111.782   2.6710  110.973   2.6355 0.8091812 3.752318 
1 1 1   15    3   11 o  145.762   1.6151  166.827   3.6944  175.115   5.3142  159.076   5.1394  149.289   2.2683  142.285   2.3017 7.003967 3.231571 
1 1 1   15    3   12 o  218.396   1.6171  374.554   5.5423  381.249   7.9082  368.091   7.7697  220.251   2.2880  216.417   2.2877 3.833923 3.235518 
1 1 1   15    3   13 o   82.053   1.8759   52.894   2.4155   51.805   3.3904   54.015   3.4421   81.109   2.6673   82.824   2.6517 -1.715523 3.761080 
1 1 1   15    3   14 o   59.879   2.2466   28.232   2.1074   26.265   2.9466   30.292   3.0151   57.636   3.2711   61.932   3.1123 -4.295361 4.515167 
1 1 1   15    3   15 o  149.268   1.5184  175.019   3.5569  171.187   5.0024  178.937   5.0584  147.542   2.1605  150.848   2.1368 -3.306396 3.038722 
1 1 1   15    3   16 o  145.723   1.5356  166.836   3.5118  172.062   5.0024  161.759   4.9311  147.895   2.1554  143.392   2.1913 4.502380 3.073693 
1 1 1   15    3   17 f   31.898   3.9505   8.1838   1.9353   7.6376   2.7317   8.7342   2.7422   30.358   5.9469   32.611   5.5575 -2.252876 8.139443 
1 1 1   15    3   18 o   39.982   3.2214   12.727   2.0041   14.644   2.8616   10.881   2.8077   42.672   4.3334   36.550   5.0281 6.121628 6.637724 
1 1 1   15    3   19 o   57.355   2.4306   26.007   2.1827   27.711   3.1021   24.337   3.0718   59.007   3.3640   55.238   3.5626 3.768963 4.899822 
1 1 1   15    3   20 o   49.380   2.7724   19.367   2.1398   20.191   3.0051   18.519   3.0476   50.149   3.8479   47.945   4.0895 2.204193 5.615150 
1 1 1   15    3   21 o   36.947   3.5722   10.998   2.0454   12.397   2.9129   9.6382   2.8727   38.828   4.8886   33.923   5.5910 4.905212 7.426762 
1 1 1   15    3   22 o   65.290   2.4005   33.808   2.4554   35.903   3.3697   31.436   3.5851   67.006   3.2140   62.508   3.6709 4.497437 4.879035 
1 1 1   15    3   23 o   45.526   3.2621   16.673   2.3151   17.576   3.2957   15.794   3.2527   46.198   4.6073   43.672   4.8265 2.525558 6.672506 
1 1 1   15    3   24 f   20.751   6.3300   3.7602   2.2489   2.9697   3.2713   4.4687   3.0969   19.953   7.5769   22.526   7.4923 -2.572975 10.65576 
1 1 1   15    3   25 o   37.857   3.6538   11.806   2.1437   9.1325   3.1379   14.147   2.9356   31.656   6.5333   40.892   4.6575 -9.236496 8.023454 
1 1 1   15    3   26 f   37.716   3.6859   11.866   2.1538   11.564   3.0670   12.160   3.0254   35.891   5.6304   37.026   5.3627 -1.135883 7.775604 
1 1 1   15    3   27 o   29.227   4.9121   7.6291   2.1731   6.3343   3.2387   8.6893   2.9308   24.524   7.6172   30.009   6.4177 -5.484888 9.960329 
1 1 1   15    3   28 o   22.015   6.1085   4.7608   2.1845   1.3643   3.0857   8.1734   3.0930   15.887   6.8391   28.176   7.0208 -12.28915 9.801292 
1 1 1   15    3   29 o   11.764   5.2747  -0.0602   2.0151  -2.0714   2.7294   2.3497   2.9877   11.411   5.4483   16.547   6.9070 -5.135778 8.797171 
1 1 1   15    3   30 o   9.7993   4.6271  -1.1249   1.8638  -0.3527   2.6811  -1.8471   2.5928   12.297   5.7230   10.873   5.2228 1.423886 7.747950 
1 1 1   15    4    0 o  217.905   2.2015  372.762   7.5266  372.762   7.5266  372.762   7.5266  217.905   2.2015  217.905   2.2015 0.000000 0.000000 
1 1 1   15    4    1 o  213.140   1.5467  356.527   5.1736  358.781   7.3376  354.299   7.2957  213.792   2.1870  212.452   2.1883 1.339615 3.093803 
1 1 1   15    4    2 o  108.951   1.8040   93.167   3.0844   93.180   4.5339   93.155   4.2082  108.941   2.6520  108.931   2.4617 0.1010895E-01 3.618446 
1 1 1   15    4    3 o  302.580   1.6626  718.567   7.8947  719.249   11.183  717.890   11.147  302.685   2.3542  302.399   2.3490 0.2857056 3.325650 
1 1 1   15    4    4 o   89.378   1.8849   62.703   2.6438   64.878   3.7738   60.607   3.7051   90.860   2.6495   87.814   2.6918 3.046120 3.776968 
1 1 1   15    4    5 o   92.319   1.9846   66.905   2.8752   69.745   4.0887   64.126   4.0440   94.198   2.7689   90.314   2.8569 3.883202 3.978549 
1 1 1   15    4    6 f  236.504   1.9649  439.114   7.2928  438.999   10.293  439.230   10.334  236.412   2.7745  236.473   2.7846 -0.6150818E-01 3.930904 
1 1 1   15    4    7 o  192.686   1.7335  291.466   5.2417  294.281   7.4376  288.688   7.3885  193.568   2.4484  191.719   2.4557 1.848923 3.467785 
1 1 1   15    4    8 o  215.168   1.7476  363.483   5.9011  361.555   8.3267  365.428   8.3641  214.535   2.4732  215.681   2.4712 -1.146027 3.496223 
1 1 1   15    4    9 o  130.747   1.7363  134.222   3.5625  133.238   5.2390  135.069   4.8587  130.218   2.5637  131.123   2.3612 -0.9055328 3.485394 
1 1 1   15    4   10 o  121.433   1.8357  115.799   3.4981  115.934   5.4146  115.702   4.5829  121.435   2.8413  121.347   2.4066 0.8795929E-01 3.723562 
1 1 1   15    4   11 o  151.758   1.6120  180.838   3.8391  180.580   5.4267  181.097   5.4320  151.595   2.2811  151.812   2.2801 -0.2170105 3.225226 
1 1 1   15    4   12 o   56.150   2.3788   24.828   2.0914   26.832   2.9865   22.900   2.9296   58.285   3.2783   53.806   3.4884 4.479229 4.787047 
1 1 1   15    4   13 o  100.596   1.7006   79.488   2.6847   75.434   3.7738   83.643   3.8202   97.909   2.4580  103.140   2.3602 -5.231125 3.407728 
1 1 1   15    4   14 o   34.679   3.5025   9.5815   1.8800   8.1868   2.6571   10.980   2.6604   31.647   5.5527   36.945   4.6946 -5.298172 7.271289 
1 1 1   15    4   15 o   46.031   2.7448   16.746   1.9738   13.670   2.7535   19.996   2.8307   41.333   4.3082   50.193   3.6180 -8.859272 5.625903 
1 1 1   15    4   16 o   96.560   1.7245   73.282   2.6132   74.983   3.7107   71.609   3.6808   97.594   2.4228   95.336   2.4623 2.257645 3.454422 
1 1 1   15    4   17 f   42.405   3.0317   14.268   2.0041   13.347   2.8169   15.213   2.8520   40.731   4.4809   43.573   4.2238 -2.841671 6.157821 
1 1 1   15    4   18 o   61.364   2.2963   29.717   2.2074   25.525   3.0821   34.132   3.1630   56.645   3.4840   65.625   3.0799 -8.979889 4.650225 
1 1 1   15    4   19 o   23.262   5.4718   4.5433   1.9638   2.4151   2.7160   6.8749   2.8428   18.865   6.9564   28.461   6.5071 -9.596081 9.525406 
1 1 1   15    4   20 o   41.219   3.5051   13.625   2.2458   15.681   2.9666   10.866   3.4373   43.996   4.3538   35.882   6.3358 8.113449 7.687524 
1 1 1   15    4   21 f   13.755   5.6488   0.6274   1.9540   4.2872   2.8260  -2.7256   2.7049   22.549   7.1315   11.873   5.5963 10.67630 9.065124 
1 1 1   15    4   22 o   45.257   3.0807   16.400   2.1749   17.558   3.0873   15.260   3.0644   46.410   4.2874   43.119   4.5996 3.291290 6.287942 
1 1 1   15    4   23 o   79.177   2.3157   49.751   2.8742   51.084   4.2396   48.617   3.9098   79.717   3.3967   77.867   3.2064 1.850609 4.671075 
1 1 1   15    4   24 o   39.471   4.1659   12.861   2.5416   11.135   3.7345   14.349   3.4688   35.178   7.0112   40.982   5.5349 -5.804707 8.932628 
1 1 1   15    4   25 o   19.964   6.2831   3.5815   2.1961   2.8785   3.2552   4.1688   2.9751   19.285   7.4973   21.374   7.3426 -2.088236 10.49393 
1 1 1   15    4   26 o   11.506   5.2018  -0.5991   2.0064  -1.8083   2.8477   0.5930   2.8274   12.468   5.8341   14.980   6.4976 -2.511473 8.732470 
1 1 1   15    4   27 o   15.496   5.9395   1.9072   2.0222   3.0224   2.8720   0.8106   2.8479   18.332   7.0650   15.015   6.5171 3.316615 9.611765 
1 1 1   15    4   28 f   19.246   5.8821   3.5902   1.9407   4.5277   2.6980   2.5850   2.7938   20.896   6.9942   17.274   6.8747 3.622700 9.807102 
1 1 1   15    4   29 o   15.825   5.9304   2.3670   1.9891   1.4067   2.8795   3.2434   2.7510   15.066   6.5459   17.692   6.8881 -2.625833 9.502363 
1 1 1   15    4   30 o   21.276   5.9863   4.9791   2.0824   2.9930   3.1354   6.5466   2.7854   16.397   6.9720   23.031   7.0482 -6.633919 9.913966 
1 1 1   15    5    0 o  108.328   2.4783   92.250   4.2081   92.250   4.2081   92.250   4.2081  108.328   2.4783  108.328   2.4783 0.000000 0.000000 
1 1 1   15    5    1 o  473.301   2.0989  1758.45   15.589  1742.11   21.875  1775.32   22.223  471.001   2.9595  475.466   2.9784 -4.465118 4.198704 
1 1 1   15    5    2 f  249.656   1.5895  489.180   6.2276  483.171   8.7497  495.350   8.8656  248.087   2.2474  251.195   2.2490 -3.107132 3.179450 
1 1 1   15    5    3 o  109.664   1.9594   94.402   3.3720   92.133   4.7342   96.738   4.8041  108.280   2.7884  110.991   2.7581 -2.710541 3.922064 
1 1 1   15    5    4 o  249.120   1.8058  487.145   7.0599  489.384   10.008  484.926   9.9607  249.645   2.5545  248.505   2.5542 1.139709 3.612374 
1 1 1   15    5    5 o  235.298   1.9692  434.646   7.2712  427.078   10.145  442.640   10.427  233.183   2.7723  237.391   2.7989 -4.208069 3.939484 
1 1 1   15    5    6 o  336.109   1.9987  886.954   10.542  885.237   14.893  888.679   14.925  335.681   2.8271  336.333   2.8278 -0.6517334 3.998648 
1 1 1   15    5    7 f   40.696   3.4785   13.118   2.2002   11.260   3.1135   14.971   3.1097   37.395   5.4670   43.351   4.6432 -5.956863 7.172742 
1 1 1   15    5    8 o  103.819   1.7943   84.628   2.9233   85.059   4.1632   84.208   4.1056  104.048   2.5497  103.527   2.5271 0.5206223 3.589848 
1 1 1   15    5    9 o  232.706   1.7737  425.213   6.4772  416.605   9.0517  434.246   9.2725  230.257   2.5050  235.080   2.5135 -4.823303 3.548631 
1 1 1   15    5   10 o  225.305   1.6468  398.587   5.8225  397.735   8.8331  399.242   7.7428  224.961   2.5021  225.430   2.1887 -0.4686890 3.324242 
1 1 1   15    5   11 o  138.588   1.5420  150.811   3.3535  145.638   4.6900  156.222   4.7971  136.142   2.1952  141.004   2.1679 -4.862488 3.085231 
1 1 1   15    5   12 o   89.468   1.7956   62.876   2.5210   61.527   3.5574   64.237   3.5732   88.415   2.5666   90.348   2.5227 -1.932793 3.598797 
1 1 1   15    5   13 o   68.283   2.0820   36.681   2.2284   37.548   3.1344   35.796   3.1686   69.001   2.9011   67.357   3.0052 1.644058 4.177047 
1 1 1   15    5   14 o   95.472   1.7473   71.620   2.6179   70.149   3.6970   73.099   3.7076   94.386   2.4981   96.358   2.4539 -1.971916 3.501735 
1 1 1   15    5   15 o   60.496   2.3023   28.836   2.1817   29.619   3.0247   27.987   3.1499   61.202   3.1599   59.452   3.3902 1.750114 4.634527 
1 1 1   15    5   16 o  134.130   1.5886  141.378   3.3439  143.185   4.7204  139.558   4.7376  134.887   2.2300  133.161   2.2671 1.725586 3.180040 
1 1 1   15    5   17 o   49.038   2.7223   19.027   2.0867   17.383   2.9236   20.734   2.9794   46.627   4.0352   51.014   3.7477 -4.387276 5.507114 
1 1 1   15    5   18 o   60.969   2.3490   29.352   2.2434   29.841   3.1741   28.864   3.1711   61.287   3.3125   60.260   3.3667 1.027218 4.723045 
1 1 1   15    5   19 o   39.482   3.3523   12.464   2.0574   14.638   2.9533   10.415   2.8679   42.512   4.4948   35.546   5.3032 6.965961 6.951786 
1 1 1   15    5   20 o   40.564   3.9917   13.293   2.5081   14.172   3.5385   12.405   3.5556   41.350   5.5966   38.454   6.0949 2.895767 8.274652 
1 1 1   15    5   21 o   52.645   2.9224   22.090   2.4049   25.685   3.4619   18.738   3.3432   56.435   3.9335   47.956   4.4948 8.479546 5.972958 
1 1 1   15    5   22 o   26.364   5.4287   5.9186   2.1711   4.1927   3.1421   7.4956   3.0035   22.367   7.5484   29.270   6.6858 -6.903316 10.08354 
1 1 1   15    5   23 o   17.418   6.4714   2.1742   2.3584   2.8412   3.3934   1.5511   3.2799   20.051   7.6919   17.942   7.3377 2.109291 10.63053 
1 1 1   15    5   24 o   17.786   6.7211   2.2982   2.5665   2.8682   3.6764   1.7564   3.5846   20.149   7.9279   18.480   7.6265 1.668467 11.00075 
1 1 1   15    5   25 o   15.982   6.2037   1.7766   2.2263   1.9556   3.0676   1.5774   3.2361   17.550   7.1268   17.263   7.1957 0.2877331 10.12764 
1 1 1   15    5   26 o   21.120   5.7938   4.1534   1.9778   2.3208   2.7893   6.0066   2.8049   17.372   6.8836   24.693   6.9477 -7.320646 9.780265 
1 1 1   15    5   27 o   22.425   5.5756   4.7323   1.9538   5.6924   2.7838   3.8003   2.7428   23.579   7.0097   19.650   7.0271 3.928772 9.925515 
1 1 1   15    5   28 o   17.442   5.8204   2.8948   1.8686   5.8668   2.7043   0.1792   2.5850   23.722   6.8705   13.521   6.0242 10.20073 9.137508 
1 1 1   15    5   29 o   11.840   5.1680   0.4115   1.8123   0.8667   2.5941  -0.0224   2.5330   13.879   6.1165   12.733   5.7913 1.146051 8.423233 
1 1 1   15    5   30 o   12.593   5.3113   1.1068   1.7953   1.7609   2.5609   0.4748   2.5174   14.421   6.2195   12.778   5.7966 1.643501 8.501982 
1 1 1   15    6    0 o  195.500   3.0498  300.267   9.3516  300.267   9.3516  300.267   9.3516  195.500   3.0498  195.500   3.0498 0.000000 0.000000 
1 1 1   15    6    1 o  117.934   2.1167  109.187   3.9175  109.558   5.5998  108.832   5.4824  118.065   3.0248  117.677   2.9712 0.3886642 4.239971 
1 1 1   15    6    2 o  163.422   1.8547  209.637   4.7567  204.679   6.4010  215.752   7.1083  161.450   2.5264  165.749   2.7328 -4.299271 3.721674 
1 1 1   15    6    3 o  114.857   1.9335  103.560   3.4851  106.621   4.9438  100.535   4.9136  116.517   2.7037  113.140   2.7674 3.376633 3.868958 
1 1 1   15    6    4 f  112.344   1.9487   99.084   3.4356   96.330   4.8214  101.925   4.8967  110.708   2.7774  113.915   2.7391 -3.206566 3.900858 
1 1 1   15    6    5 o  190.285   1.6330  284.227   4.8764  283.220   6.8709  285.249   6.9219  189.909   2.3055  190.587   2.3143 -0.6781158 3.266699 
1 1 1   15    6    6 o  158.457   1.5941  197.103   3.9641  189.346   5.3620  206.454   5.8867  155.276   2.2005  162.132   2.3137 -6.855835 3.192971 
1 1 1   15    6    7 o  120.900   1.6445  114.753   3.1201  118.209   4.4347  111.366   4.3906  122.675   2.3036  119.069   2.3497 3.606224 3.290538 
1 1 1   15    6    8 o  175.280   1.5162  241.193   4.1707  236.649   5.8458  245.904   5.9521  173.577   2.1461  176.939   2.1436 -3.361740 3.033246 
1 1 1   15    6    9 o   92.412   1.9780   67.074   2.8686   64.774   3.9094   69.758   4.2222   90.732   2.7488   94.150   2.8610 -3.418381 3.967507 
1 1 1   15    6   10 o   44.330   3.3772   15.557   2.3318   18.516   3.3489   12.773   3.2486   48.240   4.4748   39.846   5.3287 8.393784 6.958332 
1 1 1   15    6   11 o   47.537   2.7157   17.830   2.0175   21.852   2.9303   14.206   2.7818   52.545   3.5749   42.218   4.2568 10.32745 5.558807 
1 1 1   15    6   12 o   12.563   5.3311   0.0486   1.8271  -2.6021   2.5869   2.6871   2.5809   11.834   5.5449   19.473   6.8304 -7.638471 8.797770 
1 1 1   15    6   13 o   54.852   2.4890   23.718   2.1370   25.604   2.9935   21.757   3.0515   56.890   3.3681   52.374   3.7373 4.516407 5.031100 
1 1 1   15    6   14 o   96.564   1.7680   73.275   2.6792   75.032   3.7493   71.441   3.8299   97.617   2.4494   95.235   2.5649 2.382324 3.546586 
1 1 1   15    6   15 o   77.871   1.9798   47.712   2.4174   45.559   3.3890   49.943   3.4494   75.979   2.8474   79.568   2.7666 -3.589355 3.970114 
1 1 1   15    6   16 o   65.356   2.2299   33.660   2.2838   37.396   3.2604   30.062   3.1999   68.770   3.0286   61.594   3.3228 7.175953 4.495871 
1 1 1   15    6   17 o   20.374   5.9067   3.4191   1.9979   4.2845   2.8283   2.5571   2.8228   22.910   7.1185   19.418   7.1032 3.491676 10.05626 
1 1 1   15    6   18 o   61.827   2.4322   30.206   2.3552   30.874   3.4812   29.643   3.1984   62.254   3.5784   61.053   3.3510 1.200321 4.902495 
1 1 1   15    6   19 o   58.491   2.6500   27.115   2.4261   28.047   3.4755   26.228   3.3883   59.196   3.7607   57.227   3.7943 1.969170 5.342207 
1 1 1   15    6   20 o   80.306   2.4966   51.075   3.1425   54.011   4.8380   48.933   4.1332   82.105   3.7649   78.303   3.3715 3.801270 5.053799 
1 1 1   15    6   21 o   31.414   5.1027   8.2369   2.4293   10.370   3.3294   5.8088   3.5526   34.835   6.3233   25.766   7.9735 9.068054 10.17646 
1 1 1   15    6   22 o   80.780   2.1199   51.655   2.6850   46.217   3.6754   57.879   3.9319   76.031   3.0868   85.168   2.9463 -9.136177 4.267175 
1 1 1   15    6   23 o   48.128   3.4757   18.744   2.6075   20.235   3.6742   17.232   3.7009   49.353   4.8048   45.234   5.3149 4.118748 7.164816 
1 1 1   15    6   24 o   31.324   5.3479   8.4718   2.5346   7.8123   3.4618   9.2339   3.7211   28.861   7.5560   31.377   7.6315 -2.515799 10.73936 
1 1 1   15    6   25 o   25.006   5.7276   5.6663   2.1992   4.7778   3.1501   6.5111   3.0717   22.342   7.5580   25.916   7.2630 -3.573462 10.48210 
1 1 1   15    6   26 o   16.127   6.1237   2.0865   2.1366   3.1513   3.0591   1.0724   2.9856   18.881   7.2875   15.736   6.7500 3.144395 9.933301 
1 1 1   15    6   27 o   10.661   4.9165  -0.9215   1.9117  -2.8554   2.7311   0.9361   2.6767   11.117   5.3453   14.796   6.3695 -3.678624 8.315211 
1 1 1   15    6   28 o   26.206   5.0419   6.3475   1.9983   8.6705   2.9423   4.3586   2.7224   29.267   6.5680   20.334   7.0223 8.932819 9.615157 
1 1 1   15    6   29 o   13.761   5.5710   1.5214   1.8680   1.1214   2.6747   1.9022   2.6098   14.154   6.2253   15.135   6.3948 -0.9808197 8.924555 
1 1 1   15    7    0 o  208.265   3.0783  340.772   10.056  340.772   10.056  340.772   10.056  208.265   3.0783  208.265   3.0783 0.000000 0.000000 
1 1 1   15    7    1 o  228.182   2.1952  408.807   7.8607  408.032   11.122  409.580   11.111  227.892   3.1100  228.325   3.1009 -0.4326172 4.391795 
1 1 1   15    7    2 o  186.980   1.8558  274.457   5.4454  277.552   8.1289  271.938   7.3342  187.977   2.7556  186.083   2.5115 1.894226 3.728441 
1 1 1   15    7    3 o  148.295   1.7905  172.638   4.1668  176.429   5.9585  169.010   5.8291  149.878   2.5333  146.693   2.5321 3.185043 3.581799 
1 1 1   15    7    4 o   67.568   2.3260   35.896   2.4627   36.719   3.4718   35.063   3.4938   68.272   3.2498   66.703   3.3484 1.568970 4.666124 
1 1 1   15    7    5 f  180.098   1.6314  254.627   4.6108  254.962   6.5574  254.300   6.4844  180.172   2.3192  179.939   2.2963 0.2322845 3.263734 
1 1 1   15    7    6 o  163.991   1.6394  211.131   4.2191  216.396   6.0284  206.076   5.9067  165.979   2.3144  161.972   2.3238 4.006943 3.279741 
1 1 1   15    7    7 o  210.794   1.6333  348.856   5.4031  347.005   7.6356  350.712   7.6466  210.171   2.3151  211.292   2.3061 -1.120453 3.267673 
1 1 1   15    7    8 o   28.088   4.8611   6.4016   2.0652   8.4429   2.9935   4.5478   2.8527   32.129   6.1612   23.789   7.1018 8.340706 9.401899 
1 1 1   15    7    9 o   80.899   2.2031   51.458   2.7943   48.388   3.6385   55.873   4.3629   78.380   2.9634   84.196   3.3085 -5.815590 4.441611 
1 1 1   15    7   10 o   43.694   3.3606   15.120   2.2866   15.544   3.0195   14.549   3.5013   44.161   4.4161   42.549   5.3626 1.612606 6.946915 
1 1 1   15    7   11 o   56.567   2.4057   25.203   2.1307   21.774   2.9900   28.740   3.0370   52.431   3.6568   60.328   3.2196 -7.896801 4.872149 
1 1 1   15    7   12 o   87.255   1.8606   59.820   2.5478   61.006   3.5609   58.577   3.6468   88.022   2.5807   86.236   2.6980 1.785988 3.733523 
1 1 1   15    7   13 o  107.651   1.7106   91.051   2.8899   93.859   4.0863   88.241   4.0875  109.230   2.3839  105.902   2.4595 3.328087 3.425195 
1 1 1   15    7   14 o   52.916   2.5800   22.098   2.1360   23.476   3.0076   20.695   3.0342   54.411   3.5416   51.028   3.8167 3.383247 5.206705 
1 1 1   15    7   15 o  125.037   1.6294  122.865   3.1973  125.652   4.5184  120.070   4.5250  126.354   2.2787  123.507   2.3347 2.847618 3.262372 
1 1 1   15    7   16 o   51.644   2.9072   21.115   2.3467   18.941   3.3280   23.265   3.3094   48.615   4.4102   54.027   3.9302 -5.412125 5.907316 
1 1 1   15    7   17 o   50.953   2.9522   20.587   2.3505   21.891   3.3823   19.370   3.2688   52.284   4.1564   49.130   4.2824 3.154217 5.967787 
1 1 1   15    7   18 o   64.085   2.4745   32.474   2.4839   31.480   3.5354   33.443   3.4905   62.826   3.6010   64.805   3.4446 -1.978840 4.983189 
1 1 1   15    7   19 o   36.913   3.8207   10.990   2.1813   14.587   3.0486   7.2177   3.1223   42.325   4.6672   28.947   6.9594 13.37757 8.379493 
1 1 1   15    7   20 o   36.919   3.8291   11.027   2.1863   12.734   3.1391   9.4199   3.0467   39.223   5.2301   33.349   6.0440 5.874157 7.992761 
1 1 1   15    7   21 o   67.878   2.4538   36.558   2.6095   37.756   3.5411   35.134   3.8603   68.680   3.2951   66.059   3.7390 2.621262 4.983765 
1 1 1   15    7   22 o   74.091   2.2103   43.513   2.5670   44.773   3.6404   42.267   3.6203   74.789   3.1085   72.627   3.1842 2.161812 4.449933 
1 1 1   15    7   23 o   9.7797   4.7586  -3.7877   2.3327  -4.7385   3.3088  -2.8482   3.2891   11.887   5.7566   13.155   6.1915 -1.268100 8.454143 
1 1 1   15    7   24 o   26.064   6.0558   6.1076   2.4296   5.1556   3.4584   7.0354   3.4140   23.481   7.9192   27.138   7.6752 -3.657265 11.02820 
1 1 1   15    7   25 o   14.077   5.8779   0.8466   2.1648   1.4722   3.0871   0.2413   3.0365   16.687   6.9969   15.045   6.6246 1.641048 9.635453 
1 1 1   15    7   26 o   12.639   5.6266  -0.1297   2.2500  -2.7800   3.0994   2.8230   3.2715   12.138   5.7984   18.398   7.3995 -6.259946 9.400757 
1 1 1   15    7   27 o   12.812   5.5883   0.3301   2.1158   3.5222   3.0573  -2.6035   2.9309   19.041   7.3020   11.744   5.6176 7.297537 9.212793 
1 1 1   15    7   28 o   14.804   5.8909   1.7300   2.0511   5.0749   2.9671  -1.3309   2.8384   21.378   7.3332   12.350   5.7935 9.027648 9.345593 
1 1 1   15    7   29 o   9.7433   4.6440  -1.5250   1.9656  -3.1231   2.8235  -0.0223   2.7379   10.567   5.1624   12.826   5.9036 -2.259002 7.842373 
1 1 1   15    8    0 o   51.065   4.0790   20.877   3.2194   20.877   3.2194   20.877   3.2194   51.065   4.0790   51.065   4.0790 0.000000 0.000000 
1 1 1   15    8    1 o  205.257   1.5526  330.707   5.0011  331.500   7.0759  329.915   7.0693  205.462   2.1945  204.970   2.1978 0.4920197 3.105828 
1 1 1   15    8    2 o  141.214   1.7098  156.548   3.7890  154.548   5.3371  158.580   5.3800  140.273   2.4245  142.092   2.4127 -1.818848 3.420445 
1 1 1   15    8    3 o  137.458   1.8493  148.350   3.9892  142.571   5.5879  154.357   5.6968  134.711   2.6432  140.171   2.5898 -5.460861 3.700498 
1 1 1   15    8    4 o  169.240   1.7224  224.872   4.5746  234.025   6.3383  214.919   6.6091  172.609   2.3399  165.397   2.5463 7.211868 3.458146 
1 1 1   15    8    5 o  143.093   1.7207  160.761   3.8639  159.900   5.4086  161.658   5.5220  142.666   2.4158  143.446   2.4530 -0.7794037 3.442852 
1 1 1   15    8    6 o   42.828   3.5098   14.528   2.3383   13.999   3.2862   15.070   3.3278   41.810   5.1149   43.426   4.9727 -1.615932 7.133698 
1 1 1   15    8    7 o   28.024   4.8002   6.3686   2.0351   5.9758   2.8303   6.7892   2.9285   26.926   6.7198   28.697   6.6352 -1.770935 9.443601 
1 1 1   15    8    8 o  148.541   1.6694  173.259   3.8914  169.029   5.4857  177.542   5.5211  146.660   2.3835  150.312   2.3406 -3.651932 3.340563 
1 1 1   15    8    9 o   95.488   1.9325   71.624   2.8958   72.884   4.0975   70.366   4.0932   96.234   2.7159   94.551   2.7615 1.683685 3.873287 
1 1 1   15    8   10 o   90.320   2.1243   64.107   3.0110   61.393   3.9751   67.761   4.6119   88.286   2.8730   92.718   3.1743 -4.432388 4.281411 
1 1 1   15    8   11 o   13.608   5.6414   0.3824   1.9735   1.8133   2.8484  -0.9388   2.7370   18.311   7.0413   14.031   6.2282 4.279857 9.400544 
1 1 1   15    8   12 o  164.332   1.6404  212.143   4.2304  213.485   6.0473  210.856   5.9200  164.752   2.3390  163.741   2.3039 1.011551 3.283082 
1 1 1   15    8   13 o  112.979   1.8659  100.324   3.3083   96.637   4.8927  103.430   4.4903  110.728   2.8180  114.637   2.4960 -3.909691 3.764435 
1 1 1   15    8   14 o   89.547   2.1139   63.073   2.9706   63.505   4.3191   62.686   4.0922   89.679   3.0735   89.124   2.9298 0.5548553 4.246219 
1 1 1   15    8   15 o   18.621   6.3315   2.5999   2.2110   5.1887   3.2594   0.3934   3.0091   25.125   7.6116   16.385   6.8915 8.739851 10.26788 
1 1 1   15    8   16 o  126.956   1.8876  126.812   3.7606  131.534   5.4825  122.617   5.1680  129.113   2.7058  124.676   2.6414 4.437088 3.781342 
1 1 1   15    8   17 o   51.214   2.9218   20.807   2.3385   18.498   3.3355   23.040   3.2795   47.915   4.4881   53.674   3.9205 -5.758877 5.959337 
1 1 1   15    8   18 o   28.782   4.9554   6.8504   2.1575   5.4435   3.0814   8.2034   3.0219   25.275   7.3379   31.121   6.4013 -5.846399 9.737654 
1 1 1   15    8   19 o   54.661   2.7985   23.743   2.3925   21.488   3.4032   25.947   3.3643   51.567   4.2428   56.855   3.7924 -5.287441 5.690681 
1 1 1   15    8   20 o   69.288   2.4078   38.045   2.6141   37.440   3.7216   38.635   3.6726   68.367   3.4802   69.493   3.3777 -1.126724 4.849827 
1 1 1   15    8   21 o   71.448   2.6050   40.585   2.9160   41.845   4.1794   39.390   4.0703   72.072   3.7077   69.913   3.7233 2.158470 5.254529 
1 1 1   15    8   22 o   31.374   5.0281   8.2905   2.3920   4.5394   3.1773   13.198   3.6342   22.875   7.5884   39.187   6.1087 -16.31188 9.741643 
1 1 1   15    8   23 o   39.928   3.8915   13.089   2.4075   14.225   3.4475   12.007   3.3635   40.768   5.5312   37.158   5.9702 3.609680 8.138621 
1 1 1   15    8   24 f   15.827   6.4657   1.3557   2.5431   2.3242   3.5143   0.2909   3.6847   18.729   7.6196   16.530   7.2872 2.198633 10.54332 
1 1 1   15    8   25 o   30.836   4.8502   8.3384   2.2697   6.4216   3.2354   10.196   3.1847   25.174   7.5743   32.978   6.3846 -7.803898 9.906222 
1 1 1   15    8   26 o   19.738   6.2822   3.7683   2.1900   2.1108   3.1419   5.3345   3.0542   17.137   7.1123   22.606   7.4375 -5.469402 10.29082 
1 1 1   15    8   27 o   11.379   5.2933  -1.1696   2.2892  -1.6147   3.3073  -0.7602   3.1719   13.237   6.2236   13.705   6.3247 -0.4676676 8.873303 
1 1 1   15    8   28 o   12.656   5.5754   0.3897   2.1536   2.9410   3.2875  -1.5280   2.8503   17.492   7.2688   12.079   5.7091 5.412650 9.242748 
1 1 1   15    8   29 o   10.536   4.9126  -0.7134   1.9901   1.1140   2.8491  -2.4543   2.7810   14.003   6.2757   10.805   5.2432 3.198230 8.177736 
1 1 1   15    9    0 o  135.467   2.3490  144.202   4.9904  144.202   4.9904  144.202   4.9904  135.467   2.3490  135.467   2.3490 0.000000 0.000000 
1 1 1   15    9    1 o  156.353   1.6036  191.916   3.9347  188.161   5.5444  195.727   5.5849  154.775   2.2827  157.858   2.2544 -3.083344 3.208289 
1 1 1   15    9    2 o  200.605   1.5722  315.921   4.9495  312.490   6.9489  319.453   7.0515  199.462   2.2200  201.672   2.2281 -2.209198 3.145260 
1 1 1   15    9    3 o  174.716   1.6136  239.653   4.4242  241.918   6.4422  237.631   6.0864  175.487   2.3393  173.934   2.2298 1.552658 3.231771 
1 1 1   15    9    4 o  127.854   1.6709  128.344   3.3525  125.778   4.6642  131.087   4.8219  126.531   2.3489  129.172   2.3787 -2.640785 3.343040 
1 1 1   15    9    5 o  158.163   1.7068  196.419   4.2364  199.006   5.5495  192.806   6.5582  159.163   2.2218  156.624   2.6682 2.539017 3.472150 
1 1 1   15    9    6 o   92.398   2.1774   67.069   3.1573   63.917   4.7859   69.498   4.2012   90.060   3.3923   93.973   2.8521 -3.912552 4.431984 
1 1 1   15    9    7 o   80.497   2.2070   50.949   2.7854   48.311   3.8695   53.786   4.0126   78.297   3.1557   82.627   3.1000 -4.330856 4.423628 
1 1 1   15    9    8 o   98.427   1.9512   76.103   3.0138   77.691   4.2731   74.531   4.2512   99.355   2.7432   97.308   2.7868 2.047493 3.910450 
1 1 1   15    9    9 o   27.673   5.2902   6.2634   2.2137   7.4078   3.1025   5.0767   3.1595   29.919   6.7669   25.040   7.4734 4.878416 10.08185 
1 1 1   15    9   10 o   36.726   4.2764   10.797   2.4186   12.899   3.5043   8.8841   3.3423   39.902   5.7630   32.796   6.7202 7.106102 8.852830 
1 1 1   15    9   11 o  117.359   1.8076  108.222   3.3292  111.241   4.7270  105.250   4.6894  118.906   2.5332  115.654   2.5838 3.252525 3.618459 
1 1 1   15    9   12 o   92.697   1.9826   67.548   2.8840   71.070   4.1375   64.219   4.0222   94.957   2.7795   90.251   2.8435 4.706146 3.976295 
1 1 1   15    9   13 o   55.896   2.7493   24.672   2.4042   26.398   3.4719   23.081   3.3325   57.650   3.8598   53.870   3.9699 3.780380 5.537040 
1 1 1   15    9   14 o  105.487   1.8128   87.483   3.0009   85.724   4.3437   89.090   4.1506  104.269   2.6568  106.359   2.4867 -2.089500 3.638992 
1 1 1   15    9   15 o   94.273   1.8956   69.913   2.8044   70.555   3.9581   69.266   3.9739   94.550   2.6702   93.675   2.7061 0.8756714 3.801711 
1 1 1   15    9   16 o   97.739   1.8805   75.182   2.8843   75.404   4.0926   74.964   4.0655   97.699   2.6719   97.415   2.6619 0.2835312 3.771536 
1 1 1   15    9   17 o   66.469   2.4400   34.924   2.5409   33.450   3.4805   36.606   3.7180   64.815   3.4341   67.792   3.5067 -2.976616 4.908134 
1 1 1   15    9   18 o   25.642   5.7678   5.5626   2.2646   4.4900   3.2858   6.5330   3.1254   23.378   7.7154   27.508   7.1686 -4.130535 10.53172 
1 1 1   15    9   19 f   35.256   4.4155   10.162   2.3896   7.8385   3.4008   12.428   3.3583   29.946   7.3032   38.561   5.7230 -8.614605 9.278453 
1 1 1   15    9   20 o   42.323   3.7538   14.479   2.4674   15.801   3.5552   13.251   3.4271   43.620   5.3024   39.749   5.6533 3.871704 7.750815 
1 1 1   15    9   21 o   41.948   4.3442   14.429   2.8185   12.586   4.0564   16.149   3.9189   37.845   7.0906   43.671   5.8666 -5.826267 9.202931 
1 1 1   15    9   22 o   63.073   2.7649   31.807   2.7301   34.848   3.9443   29.010   3.7826   65.459   3.8568   59.586   4.0696 5.872551 5.606788 
1 1 1   15    9   23 o   19.920   6.6356   3.4473   2.4290   0.2217   3.5788   6.2020   3.3073   16.521   7.2355   25.705   7.6401 -9.184414 10.52258 
1 1 1   15    9   24 o   35.513   4.7275   10.841   2.5693   8.2785   3.5885   13.536   3.6803   28.897   7.7530   38.534   6.3036 -9.637327 9.992216 
1 1 1   15    9   25 o   11.240   5.2377  -1.4095   2.2573  -0.8984   3.3864  -1.8181   3.0281   14.335   6.5861   12.788   5.9942 1.546968 8.905480 
1 1 1   15    9   26 o   26.491   5.7092   6.6253   2.3034   6.2926   3.4576   6.8908   3.0885   23.915   7.9155   25.605   7.3197 -1.689812 10.78114 
1 1 1   15    9   27 o   19.283   6.1928   3.7037   2.1245   5.2541   3.0897   2.3133   2.9259   21.866   7.4837   16.820   6.9104 5.046244 10.18620 
1 1 1   15    9   28 o   12.706   5.6567   0.3883   2.2745   4.7947   3.3172  -3.5214   3.1246   19.780   7.6007   11.093   5.4216 8.687686 9.336185 
1 1 1   15    9   29 o   10.797   4.9921  -0.4044   1.9901  -1.6155   2.9866   0.5628   2.6689   11.644   5.5963   13.037   5.9353 -1.392714 8.157635 
1 1 1   15   10    0 o   54.897   4.0450   24.073   3.4403   24.073   3.4403   24.073   3.4403   54.897   4.0450   54.897   4.0450 0.000000 0.000000 
1 1 1   15   10    1 o   65.762   2.4083   34.024   2.4811   33.109   3.5116   34.936   3.5061   64.777   3.4670   66.555   3.3679 -1.777596 4.833506 
1 1 1   15   10    2 o   87.003   2.0045   59.451   2.7368   59.444   3.8674   59.457   3.8735   86.911   2.8393   86.920   2.8435 -0.8972168E-02 4.018387 
1 1 1   15   10    3 o   60.665   2.5476   28.974   2.4199   31.551   3.4319   26.425   3.4128   63.225   3.4722   57.809   3.7827 5.415504 5.134701 
1 1 1   15   10    4 o  135.506   1.6626  144.177   3.5355  148.773   5.0613  139.797   4.9408  137.601   2.3439  133.384   2.3604 4.216568 3.326453 
1 1 1   15   10    5 o  101.501   2.1665   80.941   3.4509   79.524   4.8315   82.417   4.9306  100.499   3.0670  102.311   3.0744 -1.812378 4.342647 
1 1 1   15   10    6 o  185.236   1.6023  269.432   4.6577  272.462   6.6149  266.452   6.5594  186.207   2.2637  184.141   2.2699 2.065872 3.205756 
1 1 1   15   10    7 o  148.871   1.8701  174.089   4.3691  175.204   5.8662  172.701   6.5473  149.282   2.5040  148.174   2.8157 1.108322 3.768063 
1 1 1   15   10    8 o  126.444   1.8442  125.597   3.6593  121.656   5.1609  129.583   5.1894  124.368   2.6443  128.363   2.5761 -3.995895 3.691724 
1 1 1   15   10    9 o   38.947   3.9820   12.096   2.3996   10.381   3.4292   13.742   3.3589   35.586   6.3747   41.302   5.3046 -5.716190 8.293119 
1 1 1   15   10   10 o   38.021   4.2822   11.572   2.5107   11.927   3.4938   11.193   3.6104   38.255   6.0183   36.933   6.4646 1.322556 8.832347 
1 1 1   15   10   11 o   60.108   2.7213   28.506   2.5603   27.301   3.6623   29.658   3.5807   58.632   4.0043   61.166   3.7484 -2.533695 5.484990 
1 1 1   15   10   12 o   93.420   2.1158   68.638   3.1018   71.569   4.3192   65.516   4.4572   95.254   2.8928   91.093   3.1226 4.161118 4.256602 
1 1 1   15   10   13 o   40.670   4.0522   13.228   2.5519   12.933   3.6935   13.498   3.5299   39.737   6.1190   40.726   5.6772 -0.9896851 8.346988 
1 1 1   15   10   14 o   30.610   5.0872   7.6687   2.3580   5.8479   3.5130   9.1617   3.1811   26.516   7.8723   33.211   6.3347 -6.694407 10.10456 
1 1 1   15   10   15 f   51.170   3.0456   20.769   2.4346   24.057   3.5032   17.698   3.3859   54.856   4.0991   46.866   4.6655 7.989929 6.210468 
1 1 1   15   10   16 o   75.938   2.3336   45.523   2.7777   45.197   3.9509   45.842   3.9060   75.424   3.3463   75.979   3.2836 -0.5549393 4.688256 
1 1 1   15   10   17 o   50.258   3.2067   20.129   2.5159   18.449   3.6049   21.725   3.5130   47.616   4.8938   51.893   4.3539 -4.276756 6.550241 
1 1 1   15   10   18 o   70.738   2.5063   39.638   2.7779   40.226   3.9836   39.081   3.8757   70.912   3.5915   69.911   3.5442 1.000931 5.045755 
1 1 1   15   10   19 o   35.353   4.2833   10.215   2.3280   8.2184   3.4081   11.961   3.1874   30.616   7.2129   37.827   5.5331 -7.211885 9.090661 
1 1 1   15   10   20 o   23.478   5.9877   4.7661   2.2127   7.0399   3.1848   2.6442   3.0766   28.181   7.1816   19.470   7.3584 8.710855 10.28209 
1 1 1   15   10   21 o   60.436   2.9868   29.243   2.8240   27.163   4.0368   31.235   3.9520   57.513   4.5087   61.935   4.0889 -4.421444 6.086671 
1 1 1   15   10   22 o   32.182   4.5899   8.6841   2.2524   10.122   3.1725   7.2229   3.1984   33.977   6.1774   28.096   7.2166 5.881474 9.499444 
1 1 1   15   10   23 o   15.724   6.0842   1.6783   2.1361   0.2461   3.0623   3.0355   2.9811   15.367   6.7125   19.328   7.2566 -3.960598 9.885161 
1 1 1   15   10   24 o   30.843   4.8331   8.3062   2.2625   8.9359   3.1389   7.6252   3.2642   30.654   6.7116   27.735   7.3734 2.918758 9.970536 
1 1 1   15   10   25 o   24.746   5.6569   5.7270   2.1488   2.3738   3.0764   8.9215   3.0027   17.506   7.1265   30.334   6.5031 -12.82772 9.647666 
1 1 1   15   10   26 o   13.573   5.7160   0.8957   2.0743  -2.7502   2.9856   4.2980   2.8842   11.739   5.6300   20.381   7.2145 -8.641422 9.151221 
1 1 1   15   10   27 o   9.0993   4.4197  -2.6568   1.9881  -3.0315   2.8713  -2.3117   2.7555   11.118   5.3793   11.369   5.4406 -0.2502918 7.650924 
1 1 1   15   10   28 o   10.863   4.9958  -0.4271   1.9548   0.5759   2.7917  -1.3920   2.7381   13.522   6.1223   11.606   5.5175 1.916530 8.241700 
1 1 1   15   11    0 o   72.974   3.2518   42.090   3.7070   42.090   3.7070   42.090   3.7070   72.974   3.2518   72.974   3.2518 0.000000 0.000000 
1 1 1   15   11    1 o  192.957   1.6850  292.366   5.1023  300.180   7.3112  284.948   7.1239  195.445   2.3837  190.421   2.3839 5.023285 3.371265 
1 1 1   15   11    2 o   33.867   4.4196   9.1980   2.2929   10.457   3.2341   7.9252   3.2514   35.871   5.9537   30.990   6.8664 4.881184 9.088114 
1 1 1   15   11    3 o   64.741   2.6635   33.008   2.7003   34.183   3.8162   31.830   3.8215   65.774   3.7122   63.444   3.8565 2.330189 5.352897 
1 1 1   15   11    4 o   98.571   2.1404   76.340   3.3109   74.517   4.5856   78.325   4.7854   97.278   3.0075   99.728   3.0613 -2.450081 4.291449 
1 1 1   15   11    5 o  120.425   2.2622  113.971   4.2752  112.759   6.8630  114.740   5.4650  119.574   3.6617  120.771   2.8835 -1.196098 4.660759 
1 1 1   15   11    6 o  196.372   1.8639  302.927   5.7438  312.071   8.2626  294.377   7.9901  199.198   2.6432  193.470   2.6317 5.727600 3.729891 
1 1 1   15   11    7 o   91.767   2.2179   66.193   3.1939   65.419   4.2921   67.154   4.7813   91.112   3.0059   92.272   3.3073 -1.159760 4.469184 
1 1 1   15   11    8 o   56.508   2.8559   25.199   2.5243   30.339   3.6510   20.491   3.4940   61.895   3.7768   50.719   4.4343 11.17620 5.824722 
1 1 1   15   11    9 o   93.899   2.0641   69.311   3.0416   72.094   4.3588   66.669   4.2464   95.636   2.9076   91.958   2.9464 3.678185 4.139502 
1 1 1   15   11   10 o   38.558   3.8544   11.862   2.3011   8.0336   3.2769   15.586   3.2319   31.063   6.9015   44.088   4.7459 -13.02522 8.375802 
1 1 1   15   11   11 o  158.546   1.7449  197.550   4.3414  205.069   6.2497  190.539   6.0352  161.408   2.4673  155.583   2.4718 5.824402 3.492535 
1 1 1   15   11   12 o   51.178   3.0988   20.740   2.4771   20.029   3.5594   21.407   3.4495   50.018   4.5855   51.787   4.2828 -1.768517 6.274494 
1 1 1   15   11   13 o   84.305   2.1457   55.972   2.8364   50.086   4.1587   61.091   3.8786   79.536   3.3393   87.965   2.8133 -8.428368 4.366416 
1 1 1   15   11   14 o   15.390   6.2025   0.9288   2.3039  -0.7252   3.3793   2.3653   3.1492   15.878   6.9900   19.627   7.4386 -3.749265 10.20751 
1 1 1   15   11   15 o   44.693   3.6024   15.956   2.5052   16.358   3.6043   15.581   3.4846   44.829   5.2210   43.752   5.1752 1.076729 7.351269 
1 1 1   15   11   16 o   31.683   5.0933   8.2813   2.4466   7.9377   3.5141   8.6044   3.4083   30.344   7.4383   31.717   7.0323 -1.373024 10.23626 
1 1 1   15   11   17 o   21.371   6.5740   3.8090   2.4192   5.4044   3.4636   2.2891   3.3806   25.195   7.8851   19.628   7.6376 5.567095 10.97755 
1 1 1   15   11   18 o   63.922   2.5850   32.424   2.5877   30.437   3.6871   34.352   3.6326   61.513   3.8386   65.478   3.5485 -3.964745 5.227525 
1 1 1   15   11   19 o   20.266   6.3642   3.4465   2.2543   6.6001   3.2474   0.5129   3.1320   27.310   7.3962   16.422   6.9748 10.88845 10.16620 
1 1 1   15   11   20 o   10.942   5.1256  -1.9841   2.2082  -2.1763   3.1274  -1.7930   3.1183   13.417   6.2227   13.743   6.3163 -0.3258648 8.866611 
1 1 1   15   11   21 o   34.283   4.9041   9.8800   2.5633   10.700   3.7298   9.1464   3.5287   34.531   7.1194   31.803   7.2342 2.728386 10.14984 
1 1 1   15   11   22 o   13.895   5.8233   0.6009   2.1365   1.6774   3.0359  -0.4554   3.0073   17.402   7.0813   14.584   6.4978 2.818383 9.610703 
1 1 1   15   11   23 o   11.886   5.3675  -0.6599   2.1295  -1.8792   3.0308   0.5292   2.9929   12.985   6.0571   15.415   6.6857 -2.429480 9.021470 
1 1 1   15   11   24 o   24.944   5.7381   5.7724   2.1994   8.6641   3.1518   3.0281   3.0705   29.780   6.8822   18.728   7.2812 11.05251 10.01899 
1 1 1   15   11   25 o   22.964   6.0294   5.1069   2.2002   4.9122   3.1671   5.2885   3.0587   21.597   7.5671   22.384   7.4461 -0.7877522 10.61629 
1 1 1   15   11   26 o   29.932   4.7512   8.0819   2.1572   9.8361   3.1229   6.4808   2.9835   31.336   6.5611   24.562   7.2454 6.774673 9.774651 
1 1 1   15   11   27 o   10.240   4.8587  -1.5819   2.1029   1.0337   3.0279  -4.0192   2.9228   14.776   6.5552   10.483   5.1482 4.292724 8.335161 
1 1 1   15   11   28 o   14.185   5.8685   1.8031   2.1297   0.7461   3.0592   2.7970   2.9665   13.772   6.3022   16.061   6.8034 -2.289252 9.273849 
1 1 1   15   12    0 o   28.022   10.835   8.5091   4.5227   8.5091   4.5227   8.5091   4.5227   28.022   10.835   28.022   10.835 0.000000 0.000000 
1 1 1   15   12    1 o  135.387   2.4375  144.090   5.1788  153.532   7.4669  135.339   7.1889  139.630   3.4077  131.038   3.4990 8.592285 4.884194 
1 1 1   15   12    2 o  125.788   2.2539  124.353   4.4491  129.518   6.3933  119.502   6.1955  128.272   3.1760  123.167   3.2081 5.105042 4.514274 
1 1 1   15   12    3 o   85.159   2.3748   57.052   3.1706   54.813   4.4343   59.395   4.5351   83.354   3.3970   86.781   3.3363 -3.427124 4.761375 
1 1 1   15   12    4 o  119.555   1.9671  112.301   3.6906  107.389   5.3282  116.832   5.1167  116.819   2.9064  121.874   2.6753 -5.054543 3.950262 
1 1 1   15   12    5 o  203.893   1.7937  326.578   5.7394  321.813   8.4063  330.739   7.8551  202.261   2.6484  205.086   2.4407 -2.824905 3.601525 
1 1 1   15   12    6 o   47.472   3.3273   17.844   2.4631   18.161   3.5263   17.542   3.4419   47.668   4.7783   46.847   4.7473 0.8210487 6.735662 
1 1 1   15   12    7 o  183.932   1.8434  265.830   5.3209  273.527   7.7052  258.813   7.3567  186.439   2.6335  181.365   2.5848 5.074417 3.690078 
1 1 1   15   12    8 o   47.699   3.3369   18.028   2.4820   19.437   3.5643   16.702   3.4584   49.317   4.6606   45.636   4.9060 3.681198 6.766813 
1 1 1   15   12    9 o   52.673   3.0424   21.940   2.5042   21.726   3.5400   22.154   3.5429   52.202   4.3610   52.725   4.3198 -0.5227852 6.138355 
1 1 1   15   12   10 o   58.982   2.7486   27.465   2.5371   21.973   3.5222   33.389   3.6577   52.487   4.3142   64.910   3.6050 -12.42315 5.622120 
1 1 1   15   12   11 o  131.351   1.8388  135.644   3.7903  133.416   5.3682  137.859   5.3523  130.133   2.6287  132.293   2.5781 -2.159470 3.681902 
1 1 1   15   12   12 o  146.050   1.7807  167.720   4.0813  169.161   5.7786  166.285   5.7652  146.526   2.5130  145.271   2.5289 1.254700 3.565184 
1 1 1   15   12   13 o   74.155   2.4161   43.385   2.8079   47.660   4.0231   39.324   3.9207   77.543   3.3137   70.366   3.5621 7.177155 4.865132 
1 1 1   15   12   14 o   36.992   4.1333   11.029   2.3585   12.170   3.3371   9.8908   3.3336   38.451   5.7031   34.379   6.4148 4.071465 8.583388 
1 1 1   15   12   15 o   20.614   6.4722   3.4711   2.3317   4.6473   3.3890   2.4139   3.2130   23.858   7.8337   19.668   7.4996 4.190004 10.84489 
1 1 1   15   12   16 o   15.049   6.1916   0.7314   2.3531   0.8909   3.3585   0.5776   3.2980   17.594   7.3320   17.054   7.1961 0.5405254 10.27338 
1 1 1   15   12   17 o   53.294   3.1981   22.684   2.6624   23.775   3.8050   21.637   3.7266   54.102   4.5229   51.543   4.6575 2.559620 6.492208 
1 1 1   15   12   18 o   38.837   4.6084   12.389   2.7540   14.679   3.9643   10.253   3.8287   41.590   6.2686   34.148   7.3617 7.441818 9.669044 
1 1 1   15   12   19 f   51.862   3.7721   21.758   3.0490   20.438   4.1357   23.329   4.5128   49.482   5.4142   52.834   5.5244 -3.352219 7.735169 
1 1 1   15   12   20 o   16.087   6.5563   1.1801   2.6074  -2.1330   3.7234   4.3682   3.6525   14.837   6.8488   22.799   8.1139 -7.962161 10.61802 
1 1 1   15   12   21 o   32.187   5.8751   9.0349   2.8583   5.4274   4.0778   12.519   4.0075   24.444   8.5849   37.227   7.1191 -12.78283 11.15267 
1 1 1   15   12   22 o   20.896   6.5009   3.9666   2.3580   8.0596   3.4036   0.1888   3.2699   29.049   7.4355   15.697   6.8941 13.35284 10.13983 
1 1 1   15   12   23 o   15.222   6.3073   1.2169   2.4654  -1.7584   3.4386   4.3642   3.5367   13.858   6.4601   21.371   7.9276 -7.512877 10.22642 
1 1 1   15   12   24 o   13.479   5.9352   0.2104   2.4376  -0.7156   3.4252   1.1607   3.4698   14.441   6.6307   16.407   7.1565 -1.966576 9.756128 
1 1 1   15   12   25 o   23.231   6.3577   5.3920   2.3848   6.7819   3.3080   3.8880   3.4411   24.838   7.6954   19.637   7.6870 5.200365 10.87699 
1 1 1   15   12   26 o   27.688   5.3263   7.2377   2.2303   7.6282   3.1192   6.8292   3.1903   26.409   7.2885   24.608   7.5455 1.801054 10.49081 
1 1 1   15   12   27 o   8.9686   4.3767  -2.6659   2.0138  -1.9931   2.8612  -3.3263   2.8348   11.443   5.4939   10.514   5.1439 0.9292221 7.526162 
1 1 1   15   12   28 o   18.782   6.1410   4.1058   2.0836   4.4235   2.9753   3.8000   2.9187   18.166   7.1368   17.224   6.9671 0.9418907 9.973707 
1 1 1   15   13    0 o  159.040   2.3394  198.794   5.8358  198.794   5.8358  198.794   5.8358  159.040   2.3394  159.040   2.3394 0.000000 0.000000 
1 1 1   15   13    1 o  140.685   1.6978  155.466   3.7485  152.280   5.2597  158.755   5.3436  139.162   2.4084  142.091   2.3964 -2.929169 3.397541 
1 1 1   15   13    2 f   72.130   2.3887   40.955   2.7002   39.294   3.7991   42.651   3.8384   70.527   3.4430   73.499   3.3365 -2.972565 4.794414 
1 1 1   15   13    3 o  156.859   1.7840  193.298   4.3916  194.797   6.1465  191.735   6.2769  157.375   2.4888  156.122   2.5620 1.253159 3.571778 
1 1 1   15   13    4 o  168.420   1.7646  222.848   4.6639  218.666   6.4996  227.287   6.6962  166.730   2.4841  169.980   2.5103 -3.250504 3.531598 
1 1 1   15   13    5 o   94.759   2.1403   70.593   3.1828   71.566   4.4402   69.564   4.5645   95.279   2.9733   93.915   3.1013 1.363350 4.296349 
1 1 1   15   13    6 o  184.255   1.7615  266.761   5.0933  268.152   7.1618  265.337   7.2450  184.611   2.4721  183.631   2.5141 0.9801941 3.525891 
1 1 1   15   13    7 o   52.649   3.3201   21.950   2.7291   16.561   3.9328   26.955   3.7903   45.261   5.6604   58.222   4.1761 -12.96107 7.034200 
1 1 1   15   13    8 o   86.203   2.2079   58.492   2.9844   54.926   4.5275   61.231   3.9686   83.338   3.4694   88.105   2.8741 -4.767128 4.505292 
1 1 1   15   13    9 o   33.780   4.4662   9.2037   2.3097   8.2965   3.2715   10.105   3.2612   31.539   6.8094   35.039   6.1555 -3.499783 9.179254 
1 1 1   15   13   10 o  120.625   1.8080  114.396   3.4225  113.167   4.7946  115.672   4.8871  119.859   2.5490  121.174   2.5700 -1.315140 3.619720 
1 1 1   15   13   11 o   94.588   2.0292   70.396   3.0121   72.296   4.2819   68.535   4.2380   95.685   2.8548   93.150   2.9027 2.534798 4.071326 
1 1 1   15   13   12 o  123.358   1.7992  119.701   3.4830  121.895   4.9349  117.524   4.9167  124.332   2.5292  122.074   2.5665 2.258659 3.603336 
1 1 1   15   13   13 o   52.883   2.9690   22.184   2.4541   21.112   3.5007   23.220   3.4412   51.254   4.3947   53.848   4.1032 -2.593910 6.012454 
1 1 1   15   13   14 f   82.200   2.2160   53.327   2.8560   53.202   4.0705   53.448   4.0081   81.855   3.1748   82.061   3.1181 -0.2062988 4.449942 
1 1 1   15   13   15 o   39.879   3.9070   12.822   2.4137   14.248   3.4682   11.482   3.3614   41.563   5.4484   37.054   5.9844 4.508400 8.093081 
1 1 1   15   13   16 o   83.163   2.2031   54.666   2.8727   56.328   4.1208   53.095   4.0069   84.109   3.1274   81.654   3.1328 2.454781 4.426647 
1 1 1   15   13   17 o   36.503   4.2514   10.882   2.3898   13.191   3.3983   8.6222   3.3615   39.705   5.6101   31.431   6.9952 8.274084 8.966972 
1 1 1   15   13   18 o   30.708   5.1800   7.9303   2.4076   8.3251   3.4549   7.5575   3.3568   30.615   7.2952   29.137   7.3446 1.477825 10.35197 
1 1 1   15   13   19 o   32.798   6.1547   9.3123   3.0515   3.9604   4.3369   14.560   4.2944   22.802   8.7085   40.725   6.9699 -17.92313 11.15427 
1 1 1   15   13   20 o   19.672   6.6116   3.2691   2.4107   2.3790   3.4398   4.1281   3.3795   19.233   7.6368   22.015   7.8078 -2.781506 10.92168 
1 1 1   15   13   21 o   35.178   5.0161   10.569   2.6908   9.4148   4.0048   11.519   3.6331   31.246   8.1007   35.665   6.7382 -4.418837 10.53686 
1 1 1   15   13   22 o   16.944   6.7121   2.0224   2.6514   1.8761   3.8248   2.1578   3.6789   18.300   7.7371   18.468   7.6830 -0.1678886 10.90375 
1 1 1   15   13   23 o   19.138   6.6729   3.4393   2.4610   2.3253   3.5227   4.5015   3.4396   18.048   7.5140   21.236   7.8287 -3.187975 10.85127 
1 1 1   15   13   24 o   11.185   5.2657  -1.6702   2.3814  -0.7035   3.3547  -2.6523   3.3812   14.181   6.5298   12.695   6.0619 1.486107 8.909821 
1 1 1   15   13   25 o   15.308   6.0813   1.8498   2.1823   0.9331   3.0883   2.7639   3.0841   15.209   6.6892   17.616   7.1487 -2.407452 9.790283 
1 1 1   15   13   26 o   12.986   5.6314   0.7006   2.1228  -0.0087   3.0522   1.3651   2.9542   13.736   6.2893   15.093   6.5929 -1.356566 9.111618 
1 1 1   15   13   27 o   11.845   5.3381   0.2455   2.0939  -0.9465   2.9539   1.4494   2.9687   12.160   5.7665   14.425   6.4394 -2.264301 8.643970 
1 1 1   15   14    0 o   13.032   7.9526   1.2013   3.0744   1.2013   3.0744   1.2013   3.0744   13.032   7.9526   13.032   7.9526 0.000000 0.000000 
1 1 1   15   14    1 o   25.397   5.8187   5.3365   2.2692   4.0271   3.2185   6.6307   3.1999   22.929   7.6384   28.219   7.2025 -5.290382 10.49866 
1 1 1   15   14    2 o  108.276   1.8712   92.134   3.1795   94.186   4.4995   90.087   4.4935  109.394   2.6210  106.947   2.6795 2.447372 3.748251 
1 1 1   15   14    3 o   13.957   5.8637   0.2390   2.1744   0.1024   3.0908   0.3729   3.0597   16.271   6.9203   16.553   6.9550 -0.2824669 9.811333 
1 1 1   15   14    4 o   54.297   2.9120   23.291   2.4721   27.168   3.5811   19.761   3.4170   58.502   3.9233   49.765   4.4213 8.736847 5.911049 
1 1 1   15   14    5 o  127.226   1.7950  127.209   3.5837  125.643   5.0823  128.757   5.0542  126.337   2.5634  127.900   2.5181 -1.563126 3.593328 
1 1 1   15   14    6 o   65.267   2.5570   33.589   2.6139   35.269   3.7519   32.004   3.6438   66.726   3.5963   63.540   3.6699 3.185463 5.138195 
1 1 1   15   14    7 o   26.134   6.1009   5.6808   2.4564   8.3045   3.7119   3.6366   3.2764   31.432   7.6079   22.190   7.7017 9.241987 10.82573 
1 1 1   15   14    8 o   82.430   2.5724   53.573   3.3235   53.353   4.9191   53.757   4.5081   82.020   3.8323   82.405   3.4940 -0.3846283 5.186006 
1 1 1   15   14    9 o  116.713   2.0009  107.157   3.6649  107.817   5.1042  106.454   5.2654  116.934   2.7815  116.171   2.8882 0.7636185 4.009783 
1 1 1   15   14   10 o   89.169   2.2912   62.661   3.2036   61.617   4.4359   63.800   4.6315   88.239   3.2088   89.770   3.2932 -1.530998 4.598006 
1 1 1   15   14   11 o   66.354   2.7339   34.812   2.8406   34.425   3.9100   35.244   4.1339   65.750   3.8057   66.484   3.9804 -0.7342072 5.506988 
1 1 1   15   14   12 o   90.163   2.1986   64.069   3.1109   62.808   4.5157   65.207   4.2918   88.985   3.2391   90.735   3.0183 -1.749626 4.427442 
1 1 1   15   14   13 f   32.179   4.7547   8.4828   2.3288   9.0127   3.2976   7.9556   3.2893   32.603   6.6702   30.497   7.0186 2.105988 9.682539 
1 1 1   15   14   14 o   37.509   4.1614   11.398   2.4083   13.668   3.4096   9.1385   3.4022   40.682   5.4799   32.674   6.8544 8.008045 8.775608 
1 1 1   15   14   15 o   40.414   4.2045   13.255   2.6276   15.122   3.7580   11.470   3.6753   42.609   5.7681   36.676   6.6297 5.933647 8.787724 
1 1 1   15   14   16 f   36.025   4.7911   10.707   2.6415   11.261   3.6928   10.127   3.7802   36.151   6.7576   34.002   7.3025 2.149025 9.949426 
1 1 1   15   14   17 o   44.073   3.8289   15.737   2.6220   14.790   3.7396   16.653   3.6772   41.859   5.8525   44.703   5.3478 -2.843166 7.927861 
1 1 1   15   14   18 o   15.204   6.3177   0.7677   2.4833   1.9323   3.5113  -0.3979   3.5127   18.922   7.6461   16.056   7.0950 2.865515 10.43085 
1 1 1   15   14   19 o   15.425   6.2988   1.0665   2.4122  -3.9349   3.5713   5.2620   3.2710   13.062   6.2354   24.160   7.6763 -11.09805 9.889724 
1 1 1   15   14   20 o   29.384   5.2693   7.4522   2.3406   8.2062   3.3724   6.7514   3.2511   29.764   7.2809   26.896   7.4478 2.867834 10.41542 
1 1 1   15   14   21 o   22.985   6.5071   4.9189   2.4527   6.1092   3.6761   3.9640   3.2927   24.815   8.1594   20.982   7.6723 3.833153 11.20001 
1 1 1   15   14   22 o   15.275   6.4479   1.0871   2.6494   1.0500   3.7150   1.1254   3.7794   16.914   7.3906   17.085   7.4601 -0.1713009 10.50115 
1 1 1   15   14   23 o   22.372   6.2536   4.8956   2.2804   3.0100   3.2263   6.7779   3.2235   18.469   7.3754   25.274   7.5501 -6.804838 10.55466 
1 1 1   15   14   24 f   9.2939   4.5400  -3.2699   2.1827  -2.9127   3.0519  -3.6439   3.1229   11.731   5.6430   11.410   5.5415 0.3202562 7.908946 
1 1 1   15   14   25 o   11.809   5.4470  -0.7428   2.3487   1.8718   3.3637  -3.2304   3.2811   16.402   7.1009   11.837   5.7325 4.564690 9.125998 
1 1 1   15   14   26 o   10.637   5.0522  -1.4352   2.2854  -7.6316   3.1873   5.1214   3.2786   9.2501   4.6667   19.883   7.5772 -10.63300 8.898969 
1 1 1   15   14   27 f   11.258   5.1893  -0.1614   2.1262  -2.9639   3.0081   2.6364   3.0056   10.722   5.2567   15.519   6.7154 -4.796988 8.528216 
1 1 1   15   15    0 o   59.253   4.0281   28.040   3.7052   28.040   3.7052   28.040   3.7052   59.253   4.0281   59.253   4.0281 0.000000 0.000000 
1 1 1   15   15    1 o   64.939   2.6170   33.258   2.6615   38.213   3.8503   28.725   3.6831   69.474   3.5432   60.144   3.9237 9.329983 5.286749 
1 1 1   15   15    2 o   23.312   6.2554   4.4996   2.3358   1.3072   3.2794   7.7870   3.3278   18.351   7.3987   30.520   7.0848 -12.16888 10.24374 
1 1 1   15   15    3 o   21.955   6.4335   3.9381   2.3590   3.6476   3.3677   4.2180   3.3055   22.335   7.8047   23.322   7.7400 -0.9875355 10.99191 
1 1 1   15   15    4 o   90.464   2.1105   64.370   2.9962   64.225   4.2864   64.509   4.1899   90.195   3.0326   90.408   2.9571 -0.2130356 4.235723 
1 1 1   15   15    5 o  112.729   1.8928   99.915   3.3485   99.227   4.8197  100.557   4.6554  112.216   2.7369  112.984   2.6256 -0.7687759 3.792713 
1 1 1   15   15    6 o  105.440   1.9461   87.431   3.2202   87.702   4.5851   87.168   4.5236  105.444   2.7733  105.128   2.7443 0.3163757 3.901584 
1 1 1   15   15    7 o   53.311   3.2651   22.534   2.7185   20.872   4.0408   23.908   3.6744   50.908   5.1278   54.713   4.3143 -3.805386 6.701303 
1 1 1   15   15    8 o   37.489   4.8463   11.382   2.7846   14.410   4.0450   8.6544   3.8390   41.842   6.3602   31.949   7.7396 9.893728 10.01764 
1 1 1   15   15    9 o   53.008   3.0838   22.280   2.5542   23.989   3.6742   20.682   3.5533   54.745   4.3115   50.759   4.5076 3.986118 6.237599 
1 1 1   15   15   10 f  128.038   1.8522  129.010   3.7216  130.731   5.2917  127.325   5.2350  128.701   2.6200  127.012   2.6264 1.689240 3.709790 
1 1 1   15   15   11 o   77.626   2.5206   47.618   3.0665   45.656   4.3018   49.645   4.3724   75.720   3.6308   78.995   3.5360 -3.275314 5.068141 
1 1 1   15   15   12 o   72.402   2.6994   41.515   3.0617   41.711   4.3449   41.321   4.3150   72.232   3.8470   71.895   3.8384 0.3368835 5.434379 
1 1 1   15   15   13 o   33.562   5.3866   9.3581   2.7412   9.5604   3.7174   9.1170   4.0581   33.247   7.3232   32.220   8.0495 1.026726 10.88232 
1 1 1   15   15   14 o   73.908   2.8516   43.407   3.3012   41.897   4.5621   45.067   4.7831   72.152   4.0453   74.819   4.0893 -2.667229 5.752096 
1 1 1   15   15   15 o   38.897   4.5295   12.398   2.7132   15.950   3.8393   8.8547   3.8349   43.664   5.7420   31.555   7.7914 12.10944 9.678625 
1 1 1   15   15   16 o   29.902   6.1836   7.7109   2.8058   11.182   3.9756   4.2659   3.9604   35.593   7.3606   23.142   8.4216 12.45131 11.18494 
1 1 1   15   15   17 o   24.049   6.7005   5.0945   2.6225   5.1113   3.7090   5.0777   3.7085   24.225   8.2010   24.165   8.2003 0.5962563E-01 11.59743 
1 1 1   15   15   18 o   47.430   3.5066   18.224   2.5916   19.976   3.6641   16.472   3.6659   49.002   4.8275   44.143   5.4046 4.858906 7.246677 
1 1 1   15   15   19 o   13.627   5.9051   0.0804   2.3305   4.3087   3.3294  -3.9812   3.2631   22.152   7.7589   12.192   5.8572 9.960252 9.721468 
1 1 1   15   15   20 o   30.444   5.2741   8.0983   2.4285   14.644   3.4837   1.9098   3.3873   40.913   5.5704   18.013   7.4216 22.89989 9.279534 
1 1 1   15   15   21 o   31.624   5.2838   8.8971   2.5298   11.368   3.8275   6.9805   3.3711   34.050   7.3766   26.247   7.6907 7.803040 10.65647 
1 1 1   15   15   22 o   19.551   6.6568   3.6973   2.4441   2.3640   3.3680   5.1804   3.5523   17.775   7.3692   22.144   7.9874 -4.368746 10.86759 
1 1 1   15   15   23 o   14.684   6.0721   1.3645   2.2786   2.8272   3.2391  -0.0683   3.2059   17.964   7.3127   14.431   6.5446 3.532902 9.813624 
1 1 1   15   15   24 o   10.449   4.9681  -1.8674   2.2216   5.4079   3.1730  -8.8635   3.1115   21.934   7.5809   8.9382   4.5214 12.99613 8.826804 
1 1 1   15   15   25 o   11.177   5.2080  -0.8881   2.2309   3.0826   3.2863  -4.2819   3.0382   17.347   7.2426   10.521   5.1829 6.826205 8.906075 
1 1 1   15   15   26 o   13.029   5.7408   0.9844   2.2840  -0.1626   3.2403   2.1171   3.2200   13.089   6.1560   15.201   6.7511 -2.111596 9.136377 
1 1 1   15   16    0 o   92.507   2.9997   67.536   4.3443   67.536   4.3443   67.536   4.3443   92.507   2.9997   92.507   2.9997 0.000000 0.000000 
1 1 1   15   16    1 o   37.703   4.1855   11.404   2.4348   9.5404   3.4408   13.272   3.4458   33.863   6.7120   40.395   5.5850 -6.531853 8.731771 
1 1 1   15   16    2 o  131.174   1.8032  135.277   3.7119  134.195   5.2404  136.366   5.2586  130.519   2.5585  131.572   2.5468 -1.053619 3.610017 
1 1 1   15   16    3 o  107.042   1.9709   90.122   3.3108   89.122   4.7063   91.101   4.6584  106.275   2.8244  107.463   2.7646 -1.187050 3.952206 
1 1 1   15   16    4 o   62.312   2.7370   30.671   2.6699   25.622   3.7203   36.032   3.8340   56.673   4.2132   67.385   3.6391 -10.71265 5.567230 
1 1 1   15   16    5 o   14.826   6.1232   0.5634   2.3132   1.9185   3.2572  -0.8155   3.2856   19.156   7.4844   15.583   6.8749 3.572862 10.16272 
1 1 1   15   16    6 o  115.836   1.9186  105.559   3.4876  105.480   4.9327  105.639   4.9318  115.640   2.7181  115.728   2.7155 -0.8788300E-01 3.842179 
1 1 1   15   16    7 o   79.958   2.7237   50.508   3.4126   49.160   5.1706   51.548   4.5425   78.512   4.2120   80.575   3.6015 -2.062859 5.541857 
1 1 1   15   16    8 o   67.989   3.0879   36.635   3.2860   40.357   4.3112   31.473   5.0763   71.168   3.8747   62.417   5.2306 8.751644 6.509446 
1 1 1   15   16    9 o  122.226   2.0508  117.678   3.9336  121.223   5.5093  113.992   5.6181  123.835   2.8350  120.037   2.9824 3.797897 4.114824 
1 1 1   15   16   10 o   28.640   5.6794   6.8628   2.4624   10.226   3.5108   3.6064   3.4547   34.796   6.6720   22.041   7.8859 12.75515 10.32975 
1 1 1   15   16   11 o   85.822   2.2678   58.175   3.0516   59.370   4.3747   57.043   4.2588   86.408   3.2319   84.703   3.2097 1.704582 4.554931 
1 1 1   15   16   12 o   73.276   2.5090   42.521   2.8809   46.888   4.1053   38.284   4.0439   76.653   3.4214   69.134   3.7413 7.519379 5.069831 
1 1 1   15   16   13 o   36.748   4.4128   11.033   2.4940   12.200   3.4996   9.8280   3.5551   38.046   6.0648   33.717   6.9501 4.329098 9.224214 
1 1 1   15   16   14 f   39.306   4.1391   12.578   2.5149   12.906   3.5704   12.256   3.5429   39.071   6.0159   37.996   6.1519 1.074570 8.604453 
1 1 1   15   16   15 o   15.999   6.3944   1.2892   2.4272   0.7728   3.4231   1.8113   3.4420   17.319   7.3209   18.747   7.5721 -1.428169 10.53246 
1 1 1   15   16   16 o   36.373   4.5358   10.944   2.5330   12.492   3.5658   9.3682   3.5987   38.121   6.1714   32.384   7.2609 5.737137 9.529310 
1 1 1   15   16   17 o   32.999   5.2475   9.2434   2.6265   8.8059   3.5679   9.7611   3.8808   31.122   7.4120   32.640   7.7015 -1.518557 10.68882 
1 1 1   15   16   18 o   28.824   5.9550   7.3191   2.6045   7.2596   3.5496   7.3886   3.8334   27.795   7.8140   27.864   8.2111 -0.6912613E-01 11.33490 
1 1 1   15   16   19 o   29.134   6.4929   7.7635   2.8926   2.8326   4.0376   12.963   4.1462   20.111   8.1726   37.196   7.3638 -17.08539 11.00075 
1 1 1   15   16   20 o   29.941   6.3979   8.3799   2.9149   12.025   4.1466   4.8187   4.0983   34.743   7.7972   22.291   8.4771 12.45211 11.51773 
1 1 1   15   16   21 o   20.650   7.6207   4.2269   3.2606   11.197   5.3393   0.0817   4.1176   30.119   9.8295   16.323   7.4084 13.79512 12.30867 
1 1 1   15   16   22 o   15.241   6.5408   1.1694   2.8058   5.1823   4.1322  -2.2636   3.8219   21.585   8.4310   13.745   6.5299 7.839839 10.66407 
1 1 1   15   16   23 o   32.895   5.4570   10.161   2.7183   9.5752   3.7772   10.789   3.9152   28.991   8.0278   30.946   8.0028 -1.955223 11.33539 
1 1 1   15   16   24 o   10.794   5.1652  -2.0984   2.4829  -2.9369   3.3743  -1.1083   3.6666   12.082   5.8421   13.813   6.5123 -1.730651 8.748722 
1 1 1   15   16   25 o   10.968   5.1925  -1.1683   2.3762   1.8362   3.3478  -4.2188   3.3733   15.223   6.8141   10.915   5.3927 4.308937 8.689843 
1 1 1   15   17    0 o   69.134   4.1492   38.132   4.4640   38.132   4.4640   38.132   4.4640   69.134   4.1492   69.134   4.1492 0.000000 0.000000 
1 1 1   15   17    1 o  121.273   2.1546  115.784   4.1005  117.268   5.7897  114.291   5.8082  121.852   3.0278  120.243   3.0806 1.608826 4.319422 
1 1 1   15   17    2 o   50.641   4.0634   20.490   3.2022   15.911   4.3580   25.863   4.7209   43.927   6.5193   56.580   5.3815 -12.65287 8.453561 
1 1 1   15   17    3 f   28.514   6.7653   6.8494   2.9814   8.2566   4.1171   5.2980   4.3230   31.097   8.2871   25.976   8.8530 5.121319 12.12649 
1 1 1   15   17    4 f   44.626   4.6776   16.057   3.2272   20.823   4.6018   11.445   4.5269   50.514   5.9172   36.615   8.0938 13.89902 10.02614 
1 1 1   15   17    5 o   42.434   4.8166   14.572   3.1508   15.274   4.3865   13.823   4.5286   42.864   6.7436   40.514   7.3952 2.350380 10.00822 
1 1 1   15   17    6 o   73.271   2.8397   42.486   3.2590   51.763   4.7362   34.144   4.4914   80.639   3.7530   65.267   4.4110 15.37171 5.791497 
1 1 1   15   17    7 o   57.403   3.5330   26.256   3.1672   25.281   4.6206   27.120   4.3498   55.779   5.3439   57.967   4.8254 -2.188259 7.200136 
1 1 1   15   17    8 o   20.725   7.0887   3.3259   2.7721   1.4204   3.9453   5.1841   3.8959   19.544   8.0265   25.203   8.4041 -5.658941 11.62125 
1 1 1   15   17    9 o   21.740   7.1418   3.8254   2.8166   2.2519   3.9786   5.4064   3.9880   20.630   8.2061   25.557   8.5022 -4.927502 11.81643 
1 1 1   15   17   10 o  101.554   2.4154   81.511   3.8494   75.882   5.3848   87.394   5.5048   97.527   3.5241  104.753   3.3529 -7.225998 4.864338 
1 1 1   15   17   11 o   70.708   3.0248   39.790   3.3486   36.188   4.7788   43.265   4.6937   66.813   4.5855   73.313   4.0960 -6.499092 6.148481 
1 1 1   15   17   12 o   54.928   3.5925   24.230   3.0797   26.528   4.4014   22.025   4.3107   56.901   4.9791   51.617   5.4016 5.283909 7.346358 
1 1 1   15   17   13 o   22.933   7.1630   4.5152   2.8597   6.0768   4.0987   3.0339   3.9919   26.295   8.6140   21.373   8.3042 4.921549 11.96501 
1 1 1   15   17   14 o   24.467   7.1159   5.2695   2.8955   12.199   4.1353  -1.3961   4.0556   37.146   7.3541   16.313   7.3833 20.83283 10.42096 
1 1 1   15   17   15 o   24.269   7.0161   5.2253   2.8225   3.3947   4.1118   6.8565   3.8814   21.766   8.4360   27.357   8.3100 -5.591009 11.84155 
1 1 1   15   17   16 o   19.357   6.9917   2.9576   2.7230   4.8556   3.9982   1.3158   3.7187   23.691   8.4828   18.292   7.6754 5.399075 11.43985 
1 1 1   15   17   17 o   32.419   5.7948   9.1650   2.8400   8.4412   4.2866   9.7313   3.7915   29.481   8.6815   32.345   7.5992 -2.864733 11.53765 
1 1 1   15   17   18 o   33.801   5.7036   10.057   2.9178   10.360   4.2259   9.7806   4.0337   32.463   8.2724   31.658   8.0900 0.8054905 11.57070 
1 1 1   15   17   19 o   14.399   6.3183   0.2040   2.7406  -2.6042   3.8498   3.0891   3.9022   14.095   6.6538   19.808   8.0400 -5.712806 10.43623 
1 1 1   15   17   20 o   13.227   5.9594  -0.3557   2.6073  -1.8524   3.5802   1.3346   3.8046   13.866   6.5053   17.153   7.4875 -3.287244 9.918777 
1 1 1   15   17   21 o   14.940   6.3346   1.1934   2.5758   0.1300   3.7713   2.1233   3.5265   15.568   7.0750   17.361   7.3884 -1.793619 10.22958 
1 1 1   15   17   22 o   12.457   5.6961  -0.5389   2.4923  -2.5470   3.5548   1.4025   3.4953   12.926   6.1842   16.232   7.1285 -3.305199 9.437177 
1 1 1   15   17   23 o   10.057   4.8997  -3.2058   2.4942  -3.0070   3.4373  -3.4268   3.6247   12.226   5.9078   12.316   5.9789 -0.9085178E-01 8.405281 
1 1 1   15   17   24 o   12.251   5.6881  -0.4266   2.6243   5.6643   3.8393  -5.7679   3.5953   20.123   8.0423   10.714   5.3396 9.409046 9.653500 
1 1 1   15   17   25 o   11.911   5.5687  -0.2698   2.5853  -2.5988   3.6690   2.0270   3.6435   11.896   5.8268   15.030   6.8780 -3.134608 9.014341 
1 1 1   15   18    0 o   49.319   5.1392   19.912   3.8697   19.912   3.8697   19.912   3.8697   49.319   5.1392   49.319   5.1392 0.000000 0.000000 
1 1 1   15   18    1 o   60.976   3.1364   29.506   2.9911   30.561   4.3682   28.576   4.1043   61.682   4.5446   59.675   4.4140 2.007607 6.335337 
1 1 1   15   18    2 o   16.671   6.6749   1.2241   2.6496   4.8343   3.8423  -2.0494   3.6587   24.649   8.3470   15.200   6.9316 9.448400 10.84987 
1 1 1   15   18    3 o   62.230   3.1461   30.744   3.0624   32.046   4.4987   29.619   4.1805   63.136   4.5715   60.735   4.4164 2.401138 6.356330 
1 1 1   15   18    4 o   45.369   4.3206   16.585   3.0391   14.012   4.1294   19.624   4.4889   40.926   6.6582   48.841   5.9813 -7.914650 8.950233 
1 1 1   15   18    5 o   28.036   6.0194   6.6208   2.5692   5.5868   3.7313   7.5530   3.5428   25.834   8.1975   29.613   7.5894 -3.779249 11.17128 
1 1 1   15   18    6 o   42.701   3.9809   14.673   2.6369   18.449   3.7933   11.143   3.6682   47.548   5.1667   36.312   6.6835 11.23656 8.447700 
1 1 1   15   18    7 o   23.017   6.6746   4.4799   2.5509   2.9205   3.6785   5.9245   3.5404   21.118   8.0311   26.291   7.9261 -5.172821 11.28369 
1 1 1   15   18    8 o   20.715   6.7621   3.4880   2.5268   3.4911   3.6339   3.4851   3.5159   21.903   8.0516   21.752   7.9321 0.1510544 11.30253 
1 1 1   15   18    9 o   37.183   4.6190   11.317   2.6373   10.168   3.7745   12.413   3.6865   34.241   7.2504   38.310   6.3545 -4.068813 9.640948 
1 1 1   15   18   10 o   14.849   6.2688   0.4032   2.5047  -1.4404   3.5683   2.1939   3.5168   15.328   6.9325   19.583   7.7388 -4.254822 10.38986 
1 1 1   15   18   11 o   26.104   6.5634   5.9253   2.6856   6.3013   3.9815   5.6115   3.6376   26.710   8.4670   25.379   8.0987 1.331701 11.71663 
1 1 1   15   18   12 o   19.987   6.7821   3.2468   2.5367   1.2957   3.6434   5.0824   3.5340   18.412   7.6518   24.256   8.0013 -5.844076 11.07113 
1 1 1   15   18   13 o   10.589   5.1315  -4.0397   2.6397  -3.9517   3.7820  -4.1233   3.6860   13.661   6.4915   13.316   6.3503 0.3450670 9.081108 
1 1 1   15   18   14 o   20.173   7.0894   3.3051   2.7812   2.9839   4.1063   3.5773   3.7803   21.135   8.3591   21.630   8.1607 -0.4954853 11.68213 
1 1 1   15   18   15 o   26.388   6.5764   6.2280   2.7135   4.8341   3.8362   7.6239   3.8388   23.505   8.3204   28.519   8.1630 -5.013588 11.65603 
1 1 1   15   18   16 o   19.161   6.8070   3.0279   2.5696   3.9904   3.5639   1.9858   3.7083   21.704   7.9745   18.897   7.7734 2.807650 11.13637 
1 1 1   15   18   17 o   26.710   6.2199   6.4858   2.5583   7.2428   3.6745   5.7736   3.5639   27.190   8.0459   24.476   8.0332 2.714790 11.36968 
1 1 1   15   18   18 o   22.852   6.6842   4.9836   2.5484   1.8657   3.5780   8.1936   3.6305   17.872   7.5158   28.440   7.8685 -10.56832 10.88125 
1 1 1   15   18   19 o   16.077   6.4352   1.8647   2.4620   2.5749   3.4504   1.1280   3.5142   18.257   7.5029   16.538   7.2080 1.718397 10.40427 
1 1 1   15   18   20 o   25.568   6.2015   6.3968   2.4624   3.1622   3.5116   9.5262   3.4540   18.704   7.6139   30.190   7.3583 -11.48661 10.58855 
1 1 1   15   18   21 o   15.834   6.4696   1.9285   2.5468   1.3633   3.8426   2.3712   3.4011   16.569   7.3659   17.277   7.2999 -0.7078419 10.37036 
1 1 1   15   18   22 o   13.398   5.8518   0.6324   2.3266  -0.0146   3.2852   1.2835   3.2956   14.274   6.5315   15.611   6.8864 -1.337182 9.491234 
1 1 1   15   18   23 o   13.835   5.9197   1.2586   2.2856   1.4922   3.2540   1.0313   3.2111   15.191   6.7642   14.666   6.6099 0.5253325 9.457539 
1 1 1   15   18   24 o   13.707   5.9056   1.5311   2.3045   3.3190   3.2616  -0.2513   3.2565   16.429   7.0514   12.921   6.1056 3.508255 9.327412 
1 1 1   15   19    0 o   76.117   3.6457   46.108   4.3320   46.108   4.3320   46.108   4.3320   76.117   3.6457   76.117   3.6457 0.000000 0.000000 
1 1 1   15   19    1 o   61.211   3.0410   29.776   2.9120   23.377   4.0809   36.415   4.1565   53.658   4.9004   67.426   3.9455 -13.76874 6.291282 
1 1 1   15   19    2 o   26.987   6.2983   6.1954   2.6185   9.1266   3.8353   3.6361   3.5838   32.439   7.6578   22.166   8.0191 10.27251 11.08814 
1 1 1   15   19    3 o   63.241   2.9412   31.767   2.9110   32.974   4.1486   30.596   4.0858   64.055   4.1494   61.657   4.2486 2.397980 5.938674 
1 1 1   15   19    4 o   17.222   7.0448   1.1280   3.0240   5.3083   4.4676  -2.4065   4.1080   25.649   8.9875   15.838   7.2682 9.811203 11.55863 
1 1 1   15   19    5 o   56.413   3.2600   25.389   2.8738   28.354   4.1635   22.692   3.9716   59.191   4.5164   52.792   4.8480 6.399357 6.625749 
1 1 1   15   19    6 o   54.649   3.3250   23.864   2.8381   22.065   4.0641   25.576   3.9650   51.930   5.0507   56.155   4.5379 -4.225349 6.789840 
1 1 1   15   19    7 o   22.416   7.1324   4.2173   2.8230  -0.6781   4.0444   8.8687   3.9423   17.159   7.5962   31.647   7.9494 -14.48848 10.99523 
1 1 1   15   19    8 o   23.793   7.1985   4.8732   2.9166   6.5233   4.5048   3.6823   3.8269   27.308   9.0348   22.256   8.2483 5.051928 12.23360 
1 1 1   15   19    9 f   17.977   7.0902   1.8303   2.9467   1.7207   4.3181   1.9258   4.0312   20.162   8.3502   19.957   8.1451 0.2049274 11.66484 
1 1 1   15   19   10 o   16.010   6.7755   0.5507   2.9378  -3.0501   4.1890   4.0360   4.1213   15.294   7.1299   22.934   8.5482 -7.639964 11.13132 
1 1 1   15   19   11 o   36.294   5.7068   11.172   3.1432   12.744   4.6975   9.8984   4.2296   37.450   8.2191   32.920   8.2143 4.529778 11.62013 
1 1 1   15   19   12 f   12.143   5.6254  -1.7949   2.5450  -1.0578   3.5839  -2.5447   3.6147   15.517   6.9891   14.271   6.6429 1.245440 9.642442 
1 1 1   15   19   13 o   32.434   5.2550   8.9338   2.5833   5.2159   3.6011   12.875   3.7078   24.184   8.0801   38.453   6.3671 -14.26878 10.28727 
1 1 1   15   19   14 o   36.247   4.8576   11.066   2.6937   10.470   3.9818   11.568   3.6576   33.611   7.7128   36.025   6.7168 -2.413849 10.22752 
1 1 1   15   19   15 o   17.237   6.6060   2.1061   2.5012   0.0396   3.5860   4.0641   3.4905   16.314   7.1906   21.692   7.9044 -5.378113 10.68571 
1 1 1   15   19   16 o   18.827   6.7314   3.0214   2.5167   1.4693   3.5954   4.5123   3.5240   17.720   7.4972   22.116   7.9584 -4.396761 10.93357 
1 1 1   15   19   17 o   19.221   6.7994   3.3543   2.5615   1.2995   3.6645   5.3175   3.5819   17.249   7.4395   22.995   8.0482 -5.746063 10.95989 
1 1 1   15   19   18 o   16.429   6.8344   1.7267   2.9107   3.6140   4.1290  -0.1379   4.1040   20.050   8.2202   16.110   7.3444 3.940226 11.02322 
1 1 1   15   19   19 o   15.300   6.2901   1.5850   2.4262  -1.8391   3.4192   5.0575   3.4433   13.322   6.2834   21.585   7.8530 -8.262856 10.05737 
1 1 1   15   19   20 o   11.576   5.3963  -1.1722   2.3991  -1.3859   3.3819  -0.9557   3.4039   13.434   6.3091   13.820   6.4375 -0.3857536 9.013661 
1 1 1   15   19   21 o   15.418   6.5491   1.6265   2.7619  -0.0077   4.2339   2.8370   3.6439   15.539   7.2183   17.714   7.5234 -2.174706 10.42616 
1 1 1   15   19   22 f   12.614   5.6864   0.1842   2.3782   3.2782   3.3820  -2.8421   3.3448   17.491   7.3281   11.877   5.7604 5.613850 9.321157 
1 1 1   15   19   23 o   19.940   6.7072   4.9282   2.4809   2.6931   3.3903   7.5047   3.6400   15.823   6.9820   22.229   8.0761 -6.405721 10.67577 
1 1 1   15   20    0 o   12.347   8.0246  -0.0034   3.7296  -0.0034   3.7296  -0.0034   3.7296   12.347   8.0246   12.347   8.0246 0.000000 0.000000 
1 1 1   15   20    1 o   45.624   4.0094   16.816   2.8415   15.591   4.0379   18.017   3.9994   43.102   6.1434   46.638   5.5747 -3.536297 8.295704 
1 1 1   15   20    2 o   67.224   2.9401   35.956   3.0942   35.041   4.3270   36.913   4.4263   65.888   4.2068   67.640   4.1906 -1.751495 5.937801 
1 1 1   15   20    3 o   29.274   6.5946   7.3932   2.9565   6.7302   4.2387   8.0214   4.1259   27.667   8.7319   29.979   8.4232 -2.312408 12.13251 
1 1 1   15   20    4 o   60.179   3.7070   29.096   3.4838   30.221   5.6377   28.401   4.4311   60.200   6.0495   58.977   4.8299 1.223042 7.741110 
1 1 1   15   20    5 o   19.960   7.1250   3.0393   2.8185   1.4838   4.0379   4.5172   3.9358   19.463   8.0691   23.680   8.4232 -4.216507 11.66453 
1 1 1   15   20    6 o   38.203   4.9193   12.066   2.8809   6.6754   3.9727   18.045   4.1838   27.383   8.4244   46.380   5.8802 -18.99716 10.27365 
1 1 1   15   20    7 o   32.590   5.6423   8.9901   2.7812   8.0387   3.8066   10.080   4.0734   29.899   7.9687   33.546   7.8737 -3.646242 11.20246 
1 1 1   15   20    8 o   21.331   7.0998   3.8035   2.7808   3.2428   3.8127   4.4408   4.0646   21.365   8.1640   23.462   8.5326 -2.096054 11.80914 
1 1 1   15   20    9 o   38.256   6.5640   12.676   3.7988   16.058   5.6091   9.8110   5.1632   41.703   8.8453   32.152   9.5435 9.551872 13.01222 
1 1 1   15   20   10 o   15.678   6.7303   0.3243   2.9724  -4.1949   4.2045   4.8398   4.2027   14.418   6.8493   23.977   8.6827 -9.559688 11.05898 
1 1 1   15   20   11 o   27.315   7.5513   6.8027   3.3451   7.0940   5.1024   6.5832   4.4300   27.577   9.6088   26.707   8.9625 0.8704529 13.13987 
1 1 1   15   20   12 o   53.463   3.9062   23.347   3.2547   22.766   4.5016   23.983   4.7111   51.717   5.6378   53.008   5.7557 -1.290401 8.056867 
1 1 1   15   20   13 o   26.038   7.1654   6.2509   3.0196   7.8838   4.2724   4.6208   4.2685   28.458   8.7330   23.156   8.6855 5.301609 12.31682 
1 1 1   15   20   14 o   24.295   7.7859   5.5830   3.3593   3.7854   4.8193   7.2819   4.6851   22.144   8.9543   26.938   9.2154 -4.793890 12.84927 
1 1 1   15   20   15 o   17.661   7.2484   1.9395   3.2146   0.6444   4.6472   3.1277   4.4515   18.210   8.0975   20.558   8.4928 -2.348635 11.73444 
1 1 1   15   20   16 o   17.443   7.1952   2.0278   3.1886   0.2213   4.5558   3.7625   4.4645   17.323   7.8342   20.818   8.5428 -3.495632 11.59114 
1 1 1   15   20   17 o   15.315   6.7510   0.6080   3.1619  -1.5427   4.4681   2.7653   4.4751   15.494   7.2685   19.191   8.2484 -3.696858 10.99400 
1 1 1   15   20   18 o   18.591   7.3148   3.2869   3.1296   5.4872   4.4869   1.2021   4.3675   21.833   8.7046   17.165   7.7250 4.667549 11.63810 
1 1 1   15   20   19 o   12.661   5.8475  -0.7772   2.7192   2.4156   4.1047  -3.2741   3.6299   17.784   7.7698   12.559   6.0693 5.225358 9.859294 
1 1 1   15   20   20 o   24.653   6.7062   6.4589   2.6628   12.112   4.0893   2.2976   3.5085   32.265   8.0916   16.942   7.2930 15.32339 10.89316 
1 1 1   15   20   21 o   14.238   6.5327   0.3628   3.3163  -0.0176   4.7399   0.7276   4.6415   15.451   7.3203   15.855   7.4283 -0.4041157 10.42915 
1 1 1   15   20   22 o   11.994   5.5203   0.0012   2.3936   4.0967   3.4387  -3.8485   3.3340   17.503   7.3648   10.887   5.3758 6.615706 9.118095 
1 1 1   15   21    0 f   42.247   7.6107   15.848   4.5595   15.848   4.5595   15.848   4.5595   42.247   7.6107   42.247   7.6107 0.000000 0.000000 
1 1 1   15   21    1 o   18.599   7.0823   2.3018   2.8630   3.6193   4.0474   0.9823   4.0504   22.274   8.4350   18.799   7.9559 3.474831 11.59507 
1 1 1   15   21    2 o   93.750   2.6827   69.862   3.9429   78.283   5.5918   61.535   5.5604   98.732   3.6151   87.249   4.0723 11.48325 5.445415 
1 1 1   15   21    3 o   18.404   7.0383   2.2281   2.8354   5.8789   3.9599  -1.6125   4.0616   25.846   8.4669   16.176   7.3478 9.670763 11.21069 
1 1 1   15   21    4 f   18.028   6.8452   2.1772   2.6698   0.2458   3.8021   4.0557   3.7497   17.444   7.5508   22.584   8.1981 -5.140306 11.14557 
1 1 1   15   21    5 o   21.376   6.8967   3.8776   2.6328   1.8909   3.6627   6.0016   3.7871   19.184   7.7884   25.945   8.2616 -6.761248 11.35399 
1 1 1   15   21    6 o   21.431   6.9403   3.9084   2.6646   3.4464   3.7536   4.3777   3.7833   21.536   8.1304   23.057   8.2521 -1.521273 11.58449 
1 1 1   15   21    7 o   14.088   6.2322  -0.4638   2.7175   0.5562   3.9533  -1.3776   3.7418   17.960   7.7364   15.577   7.0666 2.383332 10.47805 
1 1 1   15   21    8 o   33.722   5.3231   9.6379   2.7236   10.849   3.8754   8.4562   3.8286   34.764   7.3346   30.317   7.9506 4.446962 10.81706 
1 1 1   15   21    9 o   49.909   3.6553   20.222   2.8431   20.018   4.0435   20.420   3.9983   48.734   5.3764   49.304   5.2482 -0.5703087 7.513259 
1 1 1   15   21   10 o   24.639   6.8782   5.4763   2.7606   3.8178   3.8729   7.1891   3.9359   21.872   8.2583   27.619   8.3637 -5.747133 11.75375 
1 1 1   15   21   11 o   39.053   5.2301   12.999   3.1248   13.329   4.4723   12.684   4.3678   37.843   7.7904   36.892   7.7891 0.9508553 11.01643 
1 1 1   15   21   12 o   16.096   6.6146   1.2718   2.6816   0.0834   3.7519   2.5130   3.8342   16.627   7.3407   19.622   7.9677 -2.994333 10.83374 
1 1 1   15   21   13 o   29.146   6.1904   7.7131   2.7439   8.9397   3.9149   6.5288   3.8469   30.058   8.1125   25.651   8.3415 4.406273 11.63585 
1 1 1   15   21   14 o   17.089   6.6863   2.1865   2.6026  -0.4390   3.6260   4.9763   3.7377   15.430   6.9826   22.494   8.1821 -7.064460 10.75656 
1 1 1   15   21   15 o   13.984   6.1204   0.3248   2.5570  -1.8287   3.5878   2.5477   3.6452   13.947   6.5335   18.487   7.6656 -4.539215 10.07214 
1 1 1   15   21   16 o   14.861   6.2873   1.1414   2.5283  -1.6195   3.6007   3.8262   3.5508   13.915   6.5269   19.804   7.7916 -5.889041 10.16407 
1 1 1   15   21   17 o   14.816   6.2880   1.2279   2.5424  -1.4596   3.6008   3.8995   3.5901   13.832   6.5002   19.536   7.7871 -5.704123 10.14357 
1 1 1   15   21   18 o   15.247   6.3441   1.6516   2.5089   1.0073   3.5751   2.2769   3.5217   15.768   7.0509   17.103   7.3337 -1.335495 10.17338 
1 1 1   15   21   19 o   14.355   6.2438   1.0292   2.6258   1.3664   3.7458   0.7033   3.6819   16.076   7.2008   15.381   6.9905 0.6947384 10.03588 
1 1 1   15   21   20 o   19.678   6.8644   4.4682   2.6044   5.3887   3.6837   3.5482   3.6828   20.250   7.9454   17.805   7.5627 2.445236 10.96923 
1 1 1   15   21   21 o   14.744   6.7110   1.6481   3.4094   4.9760   4.8475  -1.6098   4.7963   17.843   8.0741   13.733   6.7132 4.109552 10.50043 
1 1 1   15   21   22 o   9.0991   4.5346  -4.2136   2.5912  -6.2396   3.7317  -2.3271   3.6009   10.247   5.1544   11.719   5.7469 -1.471498 7.719748 
1 1 1   15   22    0 o   15.788   9.1974   2.7781   3.7654   2.7781   3.7654   2.7781   3.7654   15.788   9.1974   15.788   9.1974 0.000000 0.000000 
1 1 1   15   22    1 o   14.735   6.3917   0.0172   2.7360  -0.6927   3.8836   0.7167   3.8551   16.525   7.3718   17.958   7.6860 -1.433571 10.64981 
1 1 1   15   22    2 f   36.742   4.9702   11.288   2.7924   12.236   3.9157   10.307   3.9833   37.262   6.9519   33.729   7.6959 3.532745 10.37094 
1 1 1   15   22    3 o   30.455   5.9872   8.0316   2.7594   5.5432   3.9712   10.355   3.8370   24.983   8.4856   33.933   7.4132 -8.949856 11.26767 
1 1 1   15   22    4 o   27.160   6.3812   6.5032   2.6734   6.5341   3.7946   6.4728   3.7670   26.688   8.2375   26.578   8.2082 0.1099606 11.62891 
1 1 1   15   22    5 o   19.025   6.9664   2.7691   2.7161   6.6341   3.8646  -1.0039   3.8183   26.812   8.3195   16.014   7.2135 10.79798 11.01131 
1 1 1   15   22    6 o   36.073   5.0916   10.976   2.8023   14.010   4.0239   8.1183   3.9049   39.932   6.6553   29.488   8.1613 10.44401 10.53095 
1 1 1   15   22    7 o   48.139   4.5193   19.199   3.3742   23.364   5.2078   16.186   4.4298   51.719   6.5642   42.769   6.8296 8.949997 9.472720 
1 1 1   15   22    8 o   33.622   5.9473   9.8676   3.0232   11.190   4.3535   8.6359   4.2015   34.418   8.1811   29.975   8.5269 4.442678 11.81686 
1 1 1   15   22    9 o   16.754   6.8861   1.3864   2.9068   2.2298   4.1609   0.5824   4.0624   19.793   8.1970   17.785   7.7506 2.007889 11.28107 
1 1 1   15   22   10 o   12.760   5.9564  -2.0668   2.9393  -3.8100   4.1235  -0.2661   4.1909   14.168   6.7454   17.045   7.6272 -2.877541 10.18206 
1 1 1   15   22   11 o   37.674   6.3186   12.795   3.6035   15.075   5.0495   10.428   5.1442   39.025   8.4874   31.273   9.5801 7.751902 12.79898 
1 1 1   15   22   12 o   40.530   4.5141   14.022   2.8225   14.899   3.9852   13.140   3.9980   40.121   6.5558   37.139   7.1188 2.982079 9.677600 
1 1 1   15   22   13 o   13.863   6.1432   0.0283   2.6515  -1.2054   3.7148   1.3096   3.7858   14.751   6.8204   17.271   7.5049 -2.520546 10.14107 
1 1 1   15   22   14 o   12.667   5.8086  -0.8326   2.6166  -1.4282   3.7203  -0.2495   3.6809   14.364   6.7039   15.289   6.9646 -0.9252214 9.666788 
1 1 1   15   22   15 o   14.607   6.3865   0.7257   2.7779   2.9922   3.9399  -1.5149   3.9174   18.672   7.8714   14.412   6.7752 4.259827 10.38570 
1 1 1   15   22   16 o   13.682   6.1257   0.1928   2.7071  -4.3802   3.8291   4.7626   3.8278   12.319   6.0167   20.602   8.0946 -8.283248 10.08582 
1 1 1   15   22   17 o   12.700   5.8587  -0.6427   2.7180   0.8240   3.9369  -1.9784   3.7570   15.914   7.2310   13.495   6.4290 2.418897 9.675686 
1 1 1   15   22   18 o   14.510   6.1882   1.3442   2.4831  -0.2704   3.5555   2.8816   3.4695   14.270   6.6239   17.414   7.3662 -3.144623 9.906407 
1 1 1   15   22   19 f   11.227   5.3020  -1.2035   2.4489  -4.4309   3.4433   2.1000   3.4836   11.083   5.4709   15.910   7.0462 -4.826370 8.920716 
1 1 1   15   22   20 o   18.561   6.6489   4.3296   2.4566   3.4876   3.5146   5.1341   3.4352   16.553   7.2115   18.684   7.5582 -2.130995 10.44663 
1 1 1   15   22   21 o   14.468   6.3418   2.2326   2.7545   3.9108   3.9866   0.6994   3.8104   16.218   7.3322   13.658   6.4974 2.560795 9.796843 
1 1 1   15   23    0 o   17.227   9.5973   3.7137   3.8522   3.7137   3.8522   3.7137   3.8522   17.227   9.5973   17.227   9.5973 0.000000 0.000000 
1 1 1   15   23    1 o   19.763   7.0094   3.1968   2.7237   4.5232   3.8998   1.9337   3.8056   22.994   8.3586   19.136   7.8736 3.857826 11.48301 
1 1 1   15   23    2 o   36.720   5.1218   11.418   2.8712   12.717   4.1357   10.209   3.9894   37.481   7.2936   33.179   7.7950 4.302181 10.67517 
1 1 1   15   23    3 o   13.944   6.2264  -0.6032   2.7770   0.3678   3.9721  -1.5315   3.8839   17.540   7.6537   15.553   7.1111 1.987437 10.44731 
1 1 1   15   23    4 o   44.438   4.2660   16.336   2.9385   14.313   4.1335   18.402   4.1780   40.038   6.8231   46.159   5.9026 -6.120785 9.021923 
1 1 1   15   23    5 o   29.956   6.1795   7.9681   2.8086   4.7868   3.9917   11.087   3.9524   23.257   8.4561   34.618   7.4930 -11.36139 11.29828 
1 1 1   15   23    6 o   25.399   6.7890   5.9085   2.7579   6.3365   3.8911   5.4764   3.9096   25.748   8.3904   24.257   8.4134 1.491255 11.88205 
1 1 1   15   23    7 o   22.659   7.6467   4.7069   3.2245   9.0319   4.6157   0.5840   4.5065   29.903   9.0576   18.369   8.0797 11.53456 12.13763 
1 1 1   15   23    8 o   39.825   4.7929   13.485   2.9353   15.859   4.2311   11.282   4.0755   41.831   6.6692   34.342   7.7472 7.488556 10.22233 
1 1 1   15   23    9 o   16.241   6.6779   1.4352   2.7351   2.9526   3.8902  -0.0481   3.8463   19.913   8.0475   16.404   7.3260 3.508644 10.88267 
1 1 1   15   23   10 o   19.975   7.1634   3.6496   2.8524   2.7010   4.0566   4.5773   4.0116   19.441   8.0762   21.933   8.3758 -2.492208 11.63532 
1 1 1   15   23   11 o   22.012   7.4704   4.8382   3.0777   7.2733   4.3758   2.4541   4.3297   25.594   8.8996   19.108   8.1609 6.486147 12.07487 
1 1 1   15   23   12 o   19.887   7.1539   3.8622   2.8472   3.0607   4.0074   4.6792   4.0460   19.209   8.0074   21.346   8.3413 -2.136728 11.56264 
1 1 1   15   23   13 o   10.400   5.0536  -3.3944   2.6065  -0.6579   3.6857  -6.1320   3.6865   14.748   6.8102   11.336   5.6075 3.412375 8.821772 
1 1 1   15   23   14 o   11.844   5.5646  -1.5020   2.6361   1.2718   3.7415  -4.2363   3.7147   16.378   7.2753   12.213   5.9565 4.164991 9.402679 
1 1 1   15   23   15 o   19.343   7.0903   3.9783   2.8148   3.3115   3.9703   4.6522   3.9912   18.527   7.8602   20.191   8.1544 -1.664520 11.32597 
1 1 1   15   23   16 o   11.550   5.4911  -1.8531   2.7125  -1.9824   3.8539  -1.7262   3.8186   13.553   6.4719   13.669   6.5032 -0.1153793 9.174813 
1 1 1   15   23   17 o   17.765   6.8580   3.3719   2.7095   4.4273   3.8038   2.2848   3.8604   19.208   7.8841   16.759   7.4202 2.448959 10.82678 
1 1 1   15   23   18 o   14.078   6.1976   1.2942   2.6566  -3.4339   3.7241   6.1926   3.7906   11.909   5.8408   20.630   8.0702 -8.721840 9.962060 
1 1 1   15   23   19 o   11.937   5.5988  -0.2819   2.6487   1.8986   3.8159  -2.3094   3.6795   14.885   6.8930   11.993   5.8661 2.892008 9.051233 
1 1 1   15   24    0 o   9.4156   6.6176  -3.5590   3.7789  -3.5590   3.7789  -3.5590   3.7789   9.4156   6.6176   9.4156   6.6176 0.000000 0.000000 
1 1 1   15   24    1 o   12.613   5.8184  -1.4945   2.6807  -1.5008   3.7678  -1.4880   3.8146   15.132   6.9504   15.238   6.9970 -0.1060467 9.862299 
1 1 1   15   24    2 o   16.904   6.7781   1.7500   2.7365   5.4948   3.8956  -1.8978   3.8448   24.084   8.3957   14.943   6.9198 9.140840 10.87983 
1 1 1   15   24    3 f   11.820   5.6176  -2.8256   2.8338  -1.6758   4.0291  -3.9511   3.9863   15.459   7.1318   13.741   6.5671 1.717592 9.694852 
1 1 1   15   24    4 o   33.415   6.0833   9.9943   3.0725   5.6051   4.3236   14.472   4.3670   24.169   8.7987   39.334   7.3448 -15.16442 11.46142 
1 1 1   15   24    5 o   32.640   6.3373   9.6947   3.1291   12.835   4.4248   6.5530   4.4255   36.290   7.9866   25.472   8.9436 10.81828 11.99054 
1 1 1   15   24    6 o   27.290   7.0991   7.1389   3.0687   4.6546   4.2651   9.8052   4.4185   22.411   8.6167   30.696   8.7484 -8.285133 12.27937 
1 1 1   15   24    7 o   27.395   7.4466   7.4330   3.2846   7.4143   4.2605   7.4604   5.1572   26.375   8.7883   25.988   9.5852 0.3873100 13.00426 
1 1 1   15   24    8 f   10.181   5.0134  -4.9936   2.8333  -0.3379   3.9571  -9.8912   4.0586   15.943   7.2462   10.823   5.4347 5.119386 9.057773 
1 1 1   15   24    9 o   9.9406   4.9287  -5.7197   2.9096  -5.2065   3.9989  -6.2970   4.2414   12.592   6.1498   12.524   6.1608 0.6784344E-01 8.704929 
1 1 1   15   24   10 o   13.210   6.0647  -0.8063   2.8638  -5.4151   4.0505   3.8000   4.0494   12.467   6.1097   20.037   8.1689 -7.570479 10.20100 
1 1 1   15   24   11 o   11.759   5.6813  -3.3393   3.1756  -4.8886   4.2879  -1.4574   4.7259   13.018   6.3601   15.630   7.3764 -2.611630 9.739711 
1 1 1   15   24   12 o   10.529   5.1623  -4.1944   2.9004  -3.7816   3.9861  -4.6588   4.2280   12.939   6.2785   12.890   6.3013 0.4908848E-01 8.895251 
1 1 1   15   24   13 o   13.256   6.0497  -0.2622   2.7939  -0.0714   3.9833  -0.4468   3.9197   15.260   7.0584   14.881   6.9238 0.3790445 9.887354 
1 1 1   15   24   14 f   15.126   6.5970   1.2834   2.9479   0.3442   4.0678   2.3222   4.2780   15.538   7.1676   17.447   7.7630 -1.908744 10.56594 
1 1 1   15   24   15 o   9.9754   4.9296  -4.5389   2.8237  -2.6582   3.8639  -6.6944   4.1366   13.016   6.2832   11.526   5.7418 1.489402 8.511604 
1 1 1   15   24   16 o   11.020   5.3539  -2.8513   2.9212  -0.1724   4.1331  -5.5253   4.1293   14.648   6.9084   11.775   5.8440 2.872587 9.048691 
1 1 1   15   24   17 o   19.037   7.7017   5.2927   3.5674   6.2892   5.3278   4.4828   4.8030   18.811   8.4929   17.561   7.9823 1.249632 11.65532 
1 1 1   15   24   18 o   13.932   6.3194   1.5938   2.9911   1.2963   4.2267   1.8922   4.2334   14.372   6.8390   14.766   6.9727 -0.3943787 9.766798 
1 1 1   15   25    0 o   8.9630   6.4430  -6.3347   4.3988  -6.3347   4.3988  -6.3347   4.3988   8.9630   6.4430   8.9630   6.4430 0.000000 0.000000 
1 1 1   15   25    1 f   13.461   6.2088  -1.2643   3.0509  -4.5022   4.5071   1.4740   4.1449   14.098   6.8007   18.077   7.8539 -3.978820 10.38908 
1 1 1   15   25    2 o   10.425   5.1338  -5.2271   2.9717  -5.3672   4.1854  -5.0846   4.2202   13.013   6.3414   13.227   6.4280 -0.2141104 9.029589 
1 1 1   15   25    3 o   18.765   7.3843   2.9188   3.1898   1.7344   4.2953   4.3752   4.7631   18.410   7.9970   21.701   8.8549 -3.290655 11.93156 
1 1 1   15   25    4 o   14.363   6.3549   0.1532   2.8265   1.5970   4.0179  -1.2614   3.9771   17.850   7.7441   15.151   7.0236 2.698286 10.45479 
1 1 1   15   25    5 o   28.206   6.7638   7.7835   2.9552   9.5600   4.2066   6.0524   4.1524   29.486   8.5773   23.606   8.6184 5.880167 12.15921 
1 1 1   15   25    6 o   18.180   7.0078   2.9103   2.8262   1.3645   3.9636   4.5090   4.0308   17.298   7.5941   21.148   8.3072 -3.849628 11.25525 
1 1 1   15   25    7 o   12.854   5.9189  -0.9126   2.7568   3.2230   3.9156  -4.9771   3.8818   19.185   7.9491   12.347   6.0362 6.838331 9.981226 
1 1 1   15   25    8 o   17.154   6.8015   2.5147   2.7249   3.4351   3.9042   1.6405   3.8048   19.230   7.9498   17.068   7.4681 2.162533 10.90746 
1 1 1   15   25    9 o   14.551   6.3145   0.8945   2.6729   0.0074   3.7759   1.7853   3.7841   15.286   6.9976   17.012   7.4457 -1.726046 10.21786 
1 1 1   15   25   10 o   18.216   6.8969   3.3151   2.7057   4.0101   3.8066   2.6054   3.8465   19.462   7.9257   17.760   7.6406 1.702265 11.00882 
1 1 1   15   25   11 o   14.069   6.3400   0.2938   2.9530  -0.6967   3.9467   1.5536   4.4508   14.665   6.8641   17.005   7.7115 -2.339345 10.32392 
1 1 1   15   25   12 o   13.026   5.9523  -0.2262   2.7162   0.0935   3.8032  -0.5591   3.8806   14.975   6.9160   14.561   6.8123 0.4145060 9.707634 
1 1 1   15   25   13 o   15.896   6.6474   2.1284   2.7750   3.8169   3.9591   0.4976   3.8908   18.595   7.8674   15.257   7.0280 3.337499 10.54935 
1 1 1   15   25   14 o   13.865   6.2067   0.7175   2.7784  -0.4213   3.9395   1.8445   3.9192   14.344   6.7591   16.163   7.2919 -1.818089 9.942680 
1 1 1   15   25   15 o   9.7054   4.8067  -4.1634   2.7384  -1.9089   3.8676  -6.4298   3.8778   12.858   6.2263   10.793   5.4041 2.065317 8.244462 
1 1 1   15   25   16 o   12.708   5.8204   0.5816   2.6170  -1.1721   3.6667   2.4025   3.7362   12.590   6.0883   15.242   6.9711 -2.651597 9.255440 
1 1 1   15   25   17 o   8.6545   4.3437  -4.9570   2.5782  -2.7812   3.6395  -7.1490   3.6529   11.383   5.6198   9.7226   4.9159 1.660107 7.466453 
1 1 1   15   26    0 o   12.017   7.9951   0.1543   4.0501   0.1543   4.0501   0.1543   4.0501   12.017   7.9951   12.017   7.9951 0.000000 0.000000 
1 1 1   15   26    1 o   10.361   5.0873  -4.4534   2.8483  -7.5825   4.0074  -1.2589   4.0491   11.362   5.6588   14.885   6.9624 -3.522714 8.971977 
1 1 1   15   26    2 o   19.985   7.1491   4.0549   2.8391   4.9909   4.0507   3.1512   3.9803   21.381   8.3486   18.963   7.9479 2.417116 11.52683 
1 1 1   15   26    3 f   13.392   6.2042  -0.9815   3.0961  -4.6929   4.2376   3.2687   4.5347   13.032   6.3572   19.337   8.3071 -6.304998 10.46048 
1 1 1   15   26    4 o   25.775   6.9793   6.9229   2.8919   6.4317   4.0280   7.4454   4.1544   23.321   8.4923   24.819   8.6689 -1.498438 12.13541 
1 1 1   15   26    5 o   17.345   6.8713   2.7070   2.7788  -2.3374   3.9061   7.8759   3.9540   13.708   6.5374   25.636   8.4637 -11.92833 10.69451 
1 1 1   15   26    6 o   14.957   6.4873   1.1039   2.8181   7.3794   4.0400  -4.8428   3.9328   24.456   8.5482   12.259   6.0104 12.19704 10.44977 
1 1 1   15   26    7 o   14.812   6.4827   1.0013   2.8683   0.4142   3.9658   1.6452   4.1536   15.655   7.1682   16.941   7.5859 -1.286190 10.43688 
1 1 1   15   26    8 o   15.490   6.7931   1.3240   3.1638  -0.7749   4.3672   3.6424   4.5898   15.129   7.1249   18.961   8.2512 -3.832836 10.90165 
1 1 1   15   26    9 o   14.653   6.5699   0.6986   3.1267  -3.1501   4.4098   4.5895   4.4339   13.658   6.6218   19.745   8.3383 -6.086525 10.64785 
1 1 1   15   26   10 o   16.817   7.0786   2.5515   3.1784  -3.7230   4.5355   8.6064   4.4555   13.460   6.5686   24.803   8.9456 -11.34259 11.09821 
1 1 1   15   26   11 o   18.410   7.3669   3.7946   3.2256   3.2817   4.2995   4.4550   4.8785   17.954   7.8949   19.163   8.4187 -1.208897 11.54138 
1 1 1   15   26   12 o   25.373   7.1074   7.4777   2.9423   6.5883   4.1416   8.3839   4.1807   21.466   8.4241   24.050   8.6665 -2.584360 12.08610 
1 1 1   15   26   13 o   12.725   5.8500   0.1222   2.6774   0.3525   3.8718  -0.0889   3.7064   14.339   6.7393   13.853   6.5362 0.4866409 9.388229 
1 1 1   15   26   14 o   17.176   6.7473   3.8151   2.6592   3.5783   3.7887   4.0450   3.7332   16.418   7.3055   16.913   7.3992 -0.4953289 10.39798 
1 1 1   15   26   15 o   11.478   5.4312  -0.4146   2.5932   3.7519   3.6826  -4.5125   3.6523   15.982   7.1507   10.677   5.3307 5.305107 8.919010 
1 1 1   15   27    0 o   16.548   9.9015   4.4495   4.5761   4.4495   4.5761   4.4495   4.5761   16.548   9.9015   16.548   9.9015 0.000000 0.000000 
1 1 1   15   27    1 o   14.669   6.7197   0.1025   3.4897  -2.2832   4.9089   2.5399   4.9619   14.874   7.1555   18.137   8.1916 -3.262794 10.87670 
1 1 1   15   27    2 o   21.074   7.9784   5.2998   3.6204   7.5044   5.2123   3.2446   5.0325   22.926   9.2971   18.721   8.3690 4.204744 12.50906 
1 1 1   15   27    3 o   18.697   7.9237   3.6228   4.0271  -0.5306   6.4599   6.2629   5.1503   17.127   8.2313   21.517   9.0310 -4.390297 12.21939 
1 1 1   15   27    4 o   18.288   7.6036   3.4378   3.6002  -0.0960   5.0868   6.9845   5.0960   16.207   7.6499   22.214   9.1226 -6.007845 11.90560 
1 1 1   15   27    5 o   16.995   7.1546   2.6150   3.2479   3.4709   4.5014   1.6855   4.6909   18.504   8.1092   17.044   7.8013 1.459999 11.25247 
1 1 1   15   27    6 o   10.513   5.1939  -4.8070   3.1286  -2.3807   4.4396  -7.2005   4.4095   14.022   6.7604   11.791   5.8824 2.230491 8.961344 
1 1 1   15   27    7 o   38.708   5.6185   14.624   3.3133   15.440   4.6584   13.789   4.7135   35.446   8.4871   32.403   8.9661 3.043411 12.34588 
1 1 1   15   27    8 o   12.497   5.9157  -1.3646   3.0833  -0.4735   4.3626  -2.2538   4.3582   14.914   7.0532   13.831   6.6758 1.083136 9.711564 
1 1 1   15   27    9 o   19.688   7.4898   4.7687   3.2000  -0.7053   4.4360   10.708   4.6206   14.679   6.9911   26.778   9.1521 -12.09873 11.51675 
1 1 1   15   27   10 o   14.928   6.5449   1.6717   2.9352   3.4643   4.1792  -0.0735   4.1235   17.430   7.7188   14.512   6.8615 2.917873 10.32759 
1 1 1   15   27   11 o   11.919   5.7319  -1.5824   3.1436  -0.8127   4.0848  -2.7003   4.9230   13.591   6.5355   13.461   6.6246 0.1305866 9.305864 
1 1 1   15   27   12 o   12.663   5.9207   0.1943   2.9236  -0.7827   4.1693   1.1393   4.1006   13.257   6.4299   14.365   6.8068 -1.108520 9.363526 
1 1 1   15   27   13 o   9.4317   4.7061  -4.3012   2.8280  -6.6664   3.9756  -1.8786   4.0236   10.322   5.2080   12.226   6.0116 -1.904445 7.953780 
1 1 1   15   28    0 o   11.190   7.5608  -0.0174   3.8846  -0.0174   3.8846  -0.0174   3.8846   11.190   7.5608   11.190   7.5608 0.000000 0.000000 
1 1 1   15   28    1 o   15.303   6.5430   1.7921   2.7886   3.9519   3.9634  -0.3252   3.9242   18.526   7.8564   14.507   6.8074 4.019584 10.39536 
1 1 1   15   28    2 o   13.776   6.1725   0.6071   2.7547   1.4480   3.9317  -0.2037   3.8607   15.926   7.2324   14.501   6.7877 1.425312 9.918646 
1 1 1   15   28    3 o   17.686   7.1117   3.4067   3.0215   1.9240   4.2557   4.9138   4.2906   16.527   7.5130   19.492   8.2155 -2.964279 11.13280 
1 1 1   15   28    4 f   13.805   6.2870   0.3794   2.9975   1.9555   4.2152  -1.2329   4.2633   16.447   7.4768   14.182   6.7817 2.265160 10.09424 
1 1 1   15   28    5 o   15.068   6.5992   1.6183   2.9768   0.6523   4.2729   2.5293   4.1493   15.357   7.1731   16.803   7.5485 -1.445422 10.41310 
1 1 1   15   28    6 o   11.974   5.7168  -1.5802   3.0039  -3.2489   4.2991   0.0118   4.1991   12.935   6.3300   14.692   6.9396 -1.756545 9.392917 
1 1 1   15   28    7 o   18.328   7.1744   4.2057   2.9976   2.3023   4.1883   6.2047   4.2921   16.152   7.3848   20.053   8.3169 -3.901247 11.12237 
1 1 1   15   28    8 o   9.9824   4.9182  -3.4866   2.7383  -5.5994   3.8781  -1.3857   3.8671   10.983   5.4848   12.971   6.2676 -1.988480 8.328581 
1 1 1   15   28    9 o   16.681   6.7557   3.5995   2.7480   6.3255   3.8986   0.9079   3.8739   19.347   7.9658   14.120   6.6683 5.227417 10.38846 
1 1 1   15   28   10 o   12.369   5.7546   0.3667   2.7073  -2.2543   3.7736   3.1464   3.8863   11.875   5.8354   15.487   7.0932 -3.612370 9.185020 
1 1 1   15   28   11 o   12.985   5.9468   1.2191   2.7307   3.5765   3.8129  -1.2632   3.9126   15.443   7.0553   12.266   6.0099 3.177897 9.268030 
1 1 1   15   29    0 o   9.4782   6.6852  -2.2171   3.9647  -2.2171   3.9647  -2.2171   3.9647   9.4782   6.6852   9.4782   6.6852 0.000000 0.000000 
1 1 1   15   29    1 o   11.708   5.5566  -0.9850   2.7534   0.0489   3.8630  -2.0526   3.9255   13.896   6.5909   12.685   6.1724 1.211102 9.029869 
1 1 1   15   29    2 o   11.974   5.6489  -0.6461   2.7668   2.2831   3.9219  -3.5484   3.9038   15.581   7.1323   11.864   5.8505 3.717151 9.224903 
1 1 1   15   29    3 o   12.011   5.6562  -0.4986   2.7515  -2.8078   3.9123   1.7614   3.8704   12.156   5.9672   15.000   6.9450 -2.844255 9.156405 
1 1 1   15   29    4 o   11.835   5.6082  -0.6500   2.7838  -3.6797   3.9324   2.3934   3.9413   11.667   5.7750   15.352   7.0723 -3.684915 9.130571 
1 1 1   15   29    5 o   15.067   6.4915   2.5878   2.7844   4.5030   3.9975   0.7829   3.8806   16.986   7.5342   13.903   6.5978 3.082875 10.01469 
1 1 1   15   29    6 o   11.806   5.6545  -0.7533   2.9903  -9.3352   4.5553   5.7455   3.9641   10.374   5.2713   17.987   7.7474 -7.612426 9.370602 
1 1 1   15   29    7 o   12.516   5.8143   0.6432   2.7478  -0.3118   3.8430   1.6422   3.9304   12.802   6.2010   14.081   6.6697 -1.278361 9.106946 
1 1 1   15   29    8 o   10.668   5.1824  -1.5128   2.7352  -1.2088   3.8108  -1.8358   3.9281   12.115   5.9350   11.918   5.8755 0.1965065 8.351421 
1 1 1   15   30    0 o   9.7126   6.8211  -0.8711   3.9918  -0.8711   3.9918  -0.8711   3.9918   9.7126   6.8211   9.7126   6.8211 0.000000 0.000000 
1 1 1   15   30    1 o   10.494   5.1284  -1.8713   2.7927  -3.0718   3.9513  -0.6731   3.9476   11.357   5.6499   12.448   6.0859 -1.090768 8.304236 
1 1 1   15   30    2 o   9.8865   4.8797  -2.7382   2.7371  -3.2118   3.8916  -2.2745   3.8504   11.213   5.5831   11.568   5.7240 -0.3553333 7.995948 
1 1 1   15   30    3 o   10.348   5.0730  -2.0543   2.7985  -9.6843   3.9386   5.7249   3.9770   9.2421   4.7150   16.939   7.5140 -7.697172 8.870866 
1 1 1   15   30    4 o   13.588   6.2311   1.9742   3.0112  -0.6810   4.2729   4.5937   4.2441   12.538   6.1708   15.655   7.2567 -3.117372 9.525667 
1 1 1   16    0    1 o  175.130   3.0454  241.004   8.3640  241.004   8.3640  241.004   8.3640  175.130   3.0454  175.130   3.0454 0.000000 0.000000 
1 1 1   16    0    2 f  106.965   3.4094   90.112   5.7098   90.112   5.7098   90.112   5.7098  106.965   3.4094  106.965   3.4094 0.000000 0.000000 
1 1 1   16    0    3 o  536.888   3.7522  2264.15   31.610  2264.15   31.610  2264.15   31.610  536.888   3.7522  536.888   3.7522 0.000000 0.000000 
1 1 1   16    0    4 f  264.150   2.2528  547.811   9.3369  547.811   9.3369  547.811   9.3369  264.150   2.2528  264.150   2.2528 0.000000 0.000000 
1 1 1   16    0    5 o   92.216   2.5895   66.919   3.7408   66.919   3.7408   66.919   3.7408   92.216   2.5895   92.216   2.5895 0.000000 0.000000 
1 1 1   16    0    6 o   10.039   6.7881  -1.5296   3.1422  -1.5296   3.1422  -1.5296   3.1422   10.039   6.7881   10.039   6.7881 0.000000 0.000000 
1 1 1   16    0    7 o   75.878   2.8518   45.404   3.3849   45.404   3.3849   45.404   3.3849   75.878   2.8518   75.878   2.8518 0.000000 0.000000 
1 1 1   16    0    8 o  198.343   2.1360  308.946   6.6469  308.946   6.6469  308.946   6.6469  198.343   2.1360  198.343   2.1360 0.000000 0.000000 
1 1 1   16    0    9 o  208.714   2.1538  342.111   7.0527  342.111   7.0527  342.111   7.0527  208.714   2.1538  208.714   2.1538 0.000000 0.000000 
1 1 1   16    0   10 o   90.536   2.5499   64.527   3.6163   64.527   3.6163   64.527   3.6163   90.536   2.5499   90.536   2.5499 0.000000 0.000000 
1 1 1   16    0   11 o  175.450   2.1281  241.818   5.8574  241.818   5.8574  241.818   5.8574  175.450   2.1281  175.450   2.1281 0.000000 0.000000 
1 1 1   16    0   12 o   80.286   2.6670   50.810   3.3518   50.810   3.3518   50.810   3.3518   80.286   2.6670   80.286   2.6670 0.000000 0.000000 
1 1 1   16    0   13 o   70.321   3.0673   39.099   3.3702   39.099   3.3702   39.099   3.3702   70.321   3.0673   70.321   3.0673 0.000000 0.000000 
1 1 1   16    0   14 o  102.057   2.4034   81.974   3.8444   81.974   3.8444   81.974   3.8444  102.057   2.4034  102.057   2.4034 0.000000 0.000000 
1 1 1   16    0   15 f   98.012   2.4408   75.638   3.7489   75.638   3.7489   75.638   3.7489   98.012   2.4408   98.012   2.4408 0.000000 0.000000 
1 1 1   16    0   16 o   39.924   4.6633   13.091   2.8176   13.091   2.8176   13.091   2.8176   39.924   4.6633   39.924   4.6633 0.000000 0.000000 
1 1 1   16    0   17 o  116.642   2.3342  107.108   4.2687  107.108   4.2687  107.108   4.2687  116.642   2.3342  116.642   2.3342 0.000000 0.000000 
1 1 1   16    0   18 o  125.653   2.3118  124.325   4.5550  124.325   4.5550  124.325   4.5550  125.653   2.3118  125.653   2.3118 0.000000 0.000000 
1 1 1   16    0   19 f   82.801   2.8030   54.219   3.6327   54.219   3.6327   54.219   3.6327   82.801   2.8030   82.801   2.8030 0.000000 0.000000 
1 1 1   16    0   20 o   57.386   4.1528   26.534   3.6939   26.534   3.6939   26.534   3.6939   57.386   4.1528   57.386   4.1528 0.000000 0.000000 
1 1 1   16    0   21 o   34.805   7.2158   10.939   3.4775   10.939   3.4775   10.939   3.4775   34.805   7.2158   34.805   7.2158 0.000000 0.000000 
1 1 1   16    0   22 o   13.243   8.1211   1.4024   3.2415   1.4024   3.2415   1.4024   3.2415   13.243   8.1211   13.243   8.1211 0.000000 0.000000 
1 1 1   16    0   23 o   11.335   7.3708   0.0659   3.1527   0.0659   3.1527   0.0659   3.1527   11.335   7.3708   11.335   7.3708 0.000000 0.000000 
1 1 1   16    0   24 o   60.146   3.7132   29.234   3.4739   29.234   3.4739   29.234   3.4739   60.146   3.7132   60.146   3.7132 0.000000 0.000000 
1 1 1   16    0   25 o   13.703   8.0010   2.2106   2.8603   2.2106   2.8603   2.2106   2.8603   13.703   8.0010   13.703   8.0010 0.000000 0.000000 
1 1 1   16    0   26 o   7.2897   5.2121  -3.6861   2.7213  -3.6861   2.7213  -3.6861   2.7213   7.2897   5.2121   7.2897   5.2121 0.000000 0.000000 
1 1 1   16    0   27 o   16.425   8.4737   3.7420   2.8001   3.7420   2.8001   3.7420   2.8001   16.425   8.4737   16.425   8.4737 0.000000 0.000000 
1 1 1   16    0   28 o   13.888   8.1230   2.6109   2.9567   2.6109   2.9567   2.6109   2.9567   13.888   8.1230   13.888   8.1230 0.000000 0.000000 
1 1 1   16    0   29 o   19.957   9.2453   5.9107   3.1987   5.9107   3.1987   5.9107   3.1987   19.957   9.2453   19.957   9.2453 0.000000 0.000000 
1 1 1   16    1    0 o  179.326   3.0406  252.681   8.5511  252.681   8.5511  252.681   8.5511  179.326   3.0406  179.326   3.0406 0.000000 0.000000 
1 1 1   16    1    1 o  128.995   2.2632  130.642   4.5814  132.962   6.5615  128.435   6.3996  130.095   3.2139  127.863   3.1894 2.232315 4.527828 
1 1 1   16    1    2 o  255.626   2.3784  513.081   9.5409  502.339   12.489  528.134   14.785  252.870   3.1473  259.229   3.6344 -6.358994 4.807721 
1 1 1   16    1    3 o  303.420   1.8035  722.690   8.5876  730.451   11.484  712.844   12.934  304.995   2.3994  301.262   2.7358 3.732635 3.638884 
1 1 1   16    1    4 o   71.192   2.1548   39.832   2.4046   42.332   3.3909   37.303   3.4104   73.345   2.9521   68.827   3.1659 4.518021 4.328726 
1 1 1   16    1    5 o  124.081   1.6381  120.860   3.1897  119.409   4.4874  122.341   4.5348  123.307   2.3190  124.812   2.3152 -1.505295 3.276879 
1 1 1   16    1    6 o  238.789   1.7364  447.657   6.5067  460.140   9.0467  434.279   9.3652  242.037   2.3818  235.120   2.5382 6.916275 3.480691 
1 1 1   16    1    7 o  133.208   1.5755  139.302   3.2935  139.180   4.6416  139.426   4.6739  133.117   2.2219  133.233   2.2354 -0.1165009 3.151859 
1 1 1   16    1    8 o  115.442   1.7402  104.641   3.1525  103.902   4.8072  105.198   4.1759  114.981   2.6641  115.720   2.2995 -0.7380371 3.519292 
1 1 1   16    1    9 o   91.472   1.7886   65.705   2.5674   66.498   3.6330   64.914   3.6288   91.952   2.5201   90.847   2.5479 1.104729 3.583625 
1 1 1   16    1   10 o  148.700   1.7009  173.640   3.9691  172.840   5.8570  174.320   5.3973  148.285   2.5169  148.940   2.3092 -0.6544342 3.415745 
1 1 1   16    1   11 o  139.398   1.5395  152.588   3.3678  148.569   4.7211  156.751   4.8055  137.497   2.1880  141.234   2.1682 -3.737396 3.080292 
1 1 1   16    1   12 o   59.774   2.2796   28.129   2.1344   30.260   3.0609   26.113   2.9779   61.907   3.1612   57.477   3.3155 4.429272 4.581024 
1 1 1   16    1   13 o   76.438   1.9472   45.948   2.3338   45.614   3.3275   46.271   3.2741   76.069   2.7922   76.624   2.7272 -0.5543671 3.903072 
1 1 1   16    1   14 o   52.896   2.5074   22.069   2.0755   22.528   2.9442   21.616   2.9263   53.308   3.5394   52.204   3.5938 1.103760 5.044128 
1 1 1   16    1   15 o   91.346   1.7900   65.586   2.5660   65.772   3.6139   65.398   3.6441   91.362   2.5230   91.097   2.5515 0.2645416 3.588323 
1 1 1   16    1   16 o   91.766   1.7948   66.212   2.5847   63.841   3.6439   68.613   3.6668   89.972   2.5835   93.290   2.5069 -3.318604 3.599820 
1 1 1   16    1   17 o   70.002   2.0872   38.614   2.2903   41.493   3.2541   35.789   3.2239   72.431   2.8685   67.222   3.0642 5.208839 4.197336 
1 1 1   16    1   18 o   27.152   4.7582   6.0707   1.9536   6.0773   2.7784   6.0643   2.7475   26.763   6.6458   26.742   6.5901 0.2101707E-01 9.359276 
1 1 1   16    1   19 o   39.096   3.5218   12.257   2.1376   13.060   3.0942   11.523   2.9566   39.934   5.0502   37.436   5.1705 2.497574 7.227633 
1 1 1   16    1   20 o   55.296   3.0213   24.355   2.6118   20.612   3.3827   29.881   4.1099   50.458   4.3133   60.807   4.3355 -10.34888 6.115599 
1 1 1   16    1   21 o   39.681   4.0468   12.788   2.4848   17.672   3.5507   8.1007   3.4783   46.351   4.9584   30.321   7.3806 16.02975 8.891541 
1 1 1   16    1   22 o   38.034   4.1351   11.824   2.4285   12.838   3.4655   10.846   3.4041   38.913   5.8563   35.484   6.3461 3.429573 8.635365 
1 1 1   16    1   23 o   24.758   5.8635   5.3531   2.2428   3.2210   3.0650   7.8107   3.2907   20.247   7.4024   29.412   7.1906 -9.165567 10.31992 
1 1 1   16    1   24 o   36.842   3.9742   11.223   2.2614   10.052   3.1647   12.446   3.2327   33.655   6.2210   37.922   5.6003 -4.266865 8.370447 
1 1 1   16    1   25 o   15.692   5.9793   1.8074   2.0414   1.4522   2.9488   2.1343   2.8290   16.547   6.8808   17.408   6.9212 -0.8616772 9.759552 
1 1 1   16    1   26 o   19.233   5.9843   3.4579   1.9980   3.9933   2.8429   2.9352   2.8087   20.331   7.1658   18.356   7.0088 1.974796 10.02357 
1 1 1   16    1   27 o   21.295   5.7634   4.3251   1.9726   4.6232   2.7911   4.0276   2.7883   21.261   7.1137   20.064   7.0944 1.196310 10.04665 
1 1 1   16    1   28 o   10.269   4.8554  -1.6237   2.0652  -0.8961   2.9234  -2.3486   2.9179   13.010   6.0277   11.791   5.6306 1.219004 8.248441 
1 1 1   16    1   29 f   13.909   5.8107   1.4383   2.1172  -1.2110   3.1428   3.6396   2.8649   12.585   5.9619   17.918   7.0139 -5.333795 9.205398 
1 1 1   16    2    0 f  183.455   3.0539  264.450   8.7867  264.450   8.7867  264.450   8.7867  183.455   3.0539  183.455   3.0539 0.000000 0.000000 
1 1 1   16    2    1 o   75.362   2.8871   44.675   3.4082   43.089   4.7279   46.390   4.9174   73.916   4.0918   76.703   4.1001 -2.786667 5.792597 
1 1 1   16    2    2 o   90.701   2.6106   64.661   3.7120   69.960   5.3179   59.625   5.1838   94.278   3.6010   87.008   3.8057 7.270325 5.239329 
1 1 1   16    2    3 o  167.617   1.7941  220.551   4.7191  212.408   6.5771  229.191   6.7751  164.457   2.5484  170.832   2.5272 -6.374847 3.589046 
1 1 1   16    2    4 o  495.181   2.3152  1925.56   17.991  1917.01   25.335  1934.26   25.554  493.881   3.2688  496.095   3.2824 -2.213806 4.632398 
1 1 1   16    2    5 o  234.792   1.5601  432.737   5.7485  429.087   8.0834  436.472   8.1765  233.752   2.2036  235.754   2.2101 -2.002441 3.120924 
1 1 1   16    2    6 o  219.075   1.7748  376.807   6.1018  367.385   8.5547  386.565   8.7057  216.253   2.5208  221.828   2.5008 -5.575363 3.550833 
1 1 1   16    2    7 o  224.270   1.5367  394.850   5.4084  389.194   7.6025  400.646   7.6958  222.603   2.1763  225.855   2.1713 -3.251678 3.074199 
1 1 1   16    2    8 o  160.502   1.5209  202.241   3.8307  199.800   5.3864  204.738   5.4490  159.488   2.1521  161.447   2.1507 -1.958893 3.042546 
1 1 1   16    2    9 o   82.486   1.9035   53.437   2.4640   53.467   3.4837   53.407   3.4855   82.427   2.6968   82.381   2.6997 0.4673004E-01 3.815881 
1 1 1   16    2   10 o  157.238   1.5199  194.124   3.7505  192.232   5.3105  196.008   5.2974  156.417   2.1634  157.948   2.1372 -1.531311 3.041063 
1 1 1   16    2   11 f  114.841   1.6280  103.574   2.9339  103.678   4.1755  103.473   4.1234  114.848   2.3167  114.737   2.2901 0.1110077 3.257547 
1 1 1   16    2   12 o  136.862   1.5489  147.108   3.3268  145.673   4.7022  148.546   4.7074  136.131   2.2011  137.469   2.1821 -1.338287 3.099394 
1 1 1   16    2   13 o   70.403   2.0450   38.994   2.2570   36.651   3.1876   41.351   3.1962   68.149   2.9878   72.417   2.8178 -4.267677 4.106966 
1 1 1   16    2   14 o  117.842   1.6190  109.102   2.9941  109.338   4.2320  108.866   4.2365  117.895   2.2874  117.639   2.2948 0.2556686 3.240133 
1 1 1   16    2   15 o  115.074   1.6408  104.059   2.9630  105.298   4.2131  102.847   4.1679  115.671   2.3210  114.317   2.3233 1.354538 3.283993 
1 1 1   16    2   16 o  103.242   1.7194   83.796   2.7857   79.526   3.8723   88.378   4.0106  100.476   2.4558  105.927   2.4126 -5.451805 3.442665 
1 1 1   16    2   17 o   55.751   2.4602   24.553   2.1472   25.188   3.0447   23.924   3.0284   56.285   3.4638   54.835   3.5382 1.450703 4.951406 
1 1 1   16    2   18 o   78.285   2.0962   48.326   2.5730   44.808   3.7483   51.460   3.5382   75.134   3.1862   80.631   2.8005 -5.496567 4.242022 
1 1 1   16    2   19 o   79.088   2.1598   49.380   2.6781   47.427   3.7815   51.345   3.7934   77.249   3.1258   80.418   3.0112 -3.168945 4.340230 
1 1 1   16    2   20 o   56.108   3.3675   25.168   2.9514   25.609   3.7644   24.465   4.7548   56.276   4.2950   54.415   5.6503 1.860893 7.097347 
1 1 1   16    2   21 o   46.679   3.4695   17.511   2.5234   17.225   3.5798   17.793   3.5575   45.690   5.0784   46.501   4.9510 -0.8109474 7.092421 
1 1 1   16    2   22 o   53.958   2.9906   23.285   2.5224   24.540   3.4304   21.807   3.7217   54.993   4.0023   51.526   4.6528 3.467907 6.137346 
1 1 1   16    2   23 o   34.708   4.2798   9.9611   2.2818   9.7121   3.2098   10.215   3.2444   33.291   6.3760   34.217   6.2731 -0.9262238 8.944551 
1 1 1   16    2   24 o   50.862   3.0045   20.881   2.3874   20.941   3.3848   20.822   3.3680   50.188   4.3403   50.051   4.3305 0.1366196 6.131164 
1 1 1   16    2   25 o   19.474   6.0723   3.4481   2.0560   5.6802   3.0080   1.4909   2.8167   24.174   7.3098   16.366   6.7578 7.808144 9.954968 
1 1 1   16    2   26 o   15.645   5.9048   1.9483   1.9796   2.9588   2.8090   0.9513   2.7902   18.373   7.0107   15.243   6.5316 3.130810 9.581819 
1 1 1   16    2   27 o   10.177   4.7762  -1.4241   1.9327  -2.6027   2.7125  -0.2087   2.7545   11.271   5.3949   13.566   6.1174 -2.294950 8.156447 
1 1 1   16    2   28 o   26.219   5.3535   6.4796   2.1281   7.4709   3.0339   5.5195   2.9859   26.438   7.1443   22.425   7.3526 4.012987 10.25195 
1 1 1   16    2   29 o   13.336   5.5663   1.2529   1.9402   2.6808   2.8851   0.0739   2.6216   16.383   6.8089   12.837   5.8591 3.546261 8.982716 
1 1 1   16    3    0 o  472.422   4.2044  1753.64   31.164  1753.64   31.164  1753.64   31.164  472.422   4.2044  472.422   4.2044 0.000000 0.000000 
1 1 1   16    3    1 o   87.493   2.3468   60.152   3.2193   63.458   4.4231   56.426   4.6947   89.817   3.1429   84.657   3.5416 5.159378 4.735059 
1 1 1   16    3    2 o  110.794   1.9561   96.369   3.4011   98.851   4.8264   93.922   4.7934  112.183   2.7415  109.312   2.7966 2.870293 3.916213 
1 1 1   16    3    3 o  283.797   1.8851  632.297   8.3956  618.651   11.725  646.655   12.027  280.645   2.6622  286.926   2.6711 -6.280457 3.771243 
1 1 1   16    3    4 o  313.518   1.9507  771.735   9.5974  776.424   13.623  767.115   13.523  314.371   2.7613  312.482   2.7577 1.889709 3.902543 
1 1 1   16    3    5 o  140.234   1.6880  154.384   3.7148  152.022   5.2130  156.821   5.2950  139.121   2.3877  141.300   2.3879 -2.178772 3.376887 
1 1 1   16    3    6 o  158.159   1.6993  196.387   4.2177  202.431   6.2611  191.366   5.7067  160.523   2.4855  156.085   2.3298 4.437454 3.406688 
1 1 1   16    3    7 o  144.368   1.6041  163.629   3.6341  164.680   5.0063  162.458   5.2838  144.796   2.2032  143.806   2.3413 0.9896698 3.214941 
1 1 1   16    3    8 o  194.202   1.5142  296.089   4.6148  298.154   6.5490  294.053   6.5038  194.826   2.1420  193.481   2.1420 1.344543 3.029261 
1 1 1   16    3    9 o  146.815   1.5516  169.236   3.5749  167.724   5.0462  170.759   5.0651  146.111   2.2008  147.428   2.1893 -1.317017 3.104251 
1 1 1   16    3   10 f   74.751   2.1503   43.940   2.5199   44.178   3.8231   43.758   3.3507   74.846   3.2628   74.531   2.8701 0.3152237 4.345515 
1 1 1   16    3   11 o   75.244   1.9901   44.515   2.3479   42.392   3.3021   46.686   3.3390   73.344   2.8745   76.986   2.7682 -3.642242 3.990726 
1 1 1   16    3   12 o  145.774   1.5457  166.894   3.5359  172.018   5.0518  161.973   4.9508  147.928   2.1762  143.542   2.1978 4.386398 3.092911 
1 1 1   16    3   13 o   58.946   2.3057   27.369   2.1288   27.456   3.0541   27.287   2.9688   58.919   3.3165   58.749   3.2326 0.1698227 4.631290 
1 1 1   16    3   14 o   91.317   1.7970   65.535   2.5752   63.415   3.6219   67.702   3.6620   89.716   2.5752   92.709   2.5194 -2.993141 3.602661 
1 1 1   16    3   15 o   34.673   3.6262   9.6045   1.9440   13.203   2.7679   6.1014   2.7308   40.565   4.4194   27.036   6.5140 13.52932 7.871649 
1 1 1   16    3   16 o   54.190   2.5571   23.195   2.1685   24.449   3.0885   21.975   3.0453   55.471   3.5669   52.549   3.7168 2.921658 5.151432 
1 1 1   16    3   17 o   22.613   5.7453   4.2766   2.0426   5.2460   2.9259   3.3551   2.8528   25.001   7.1171   20.982   7.1908 4.019138 10.11729 
1 1 1   16    3   18 o   62.527   2.4845   30.913   2.4330   29.354   3.4706   32.420   3.4117   60.654   3.6633   63.820   3.4189 -3.166634 5.010893 
1 1 1   16    3   19 o   66.480   2.4081   34.962   2.5081   34.847   3.5365   35.078   3.5576   66.100   3.4210   66.316   3.4301 -0.2161636 4.844442 
1 1 1   16    3   20 o   24.666   6.8858   5.2467   2.7666   6.2959   3.6197   3.7727   4.2905   26.844   7.9963   23.007   8.6909 3.837322 11.80984 
1 1 1   16    3   21 o   41.890   3.5414   14.140   2.3063   13.115   3.2417   15.190   3.2818   39.679   5.3416   42.906   4.9656 -3.227291 7.293085 
1 1 1   16    3   22 o   55.128   2.8456   24.268   2.4535   26.787   3.4734   21.759   3.4661   57.511   3.8712   51.608   4.3193 5.902321 5.800202 
1 1 1   16    3   23 o   45.528   3.3388   16.754   2.3689   15.055   3.3179   18.521   3.3833   42.333   5.0967   47.270   4.6197 -4.936974 6.878842 
1 1 1   16    3   24 o   13.758   5.9871   0.0732   2.4166  -0.0276   3.5790   0.1577   3.2763   16.174   7.1537   15.783   6.9174 0.3907738 9.951165 
1 1 1   16    3   25 o   31.910   4.4388   8.7128   2.1627   7.7136   3.1473   9.6066   2.9768   28.252   7.1065   32.443   6.0700 -4.191132 9.345938 
1 1 1   16    3   26 f   13.422   5.6187   0.7959   1.9857   1.4686   2.8197   0.1342   2.7967   15.975   6.6920   14.200   6.3001 1.774030 9.190921 
1 1 1   16    3   27 o   13.918   5.7259   1.1304   2.0123  -1.8271   2.7601   4.4861   2.9400   11.997   5.6542   20.869   7.2924 -8.872331 9.227619 
1 1 1   16    3   28 o   13.569   5.6917   1.0229   2.0438   3.8570   2.8924  -1.8032   2.8884   19.211   7.1610   12.097   5.7262 7.113908 9.168985 
1 1 1   16    3   29 o   9.5817   4.5679  -1.5444   1.9035  -3.0776   2.7980  -0.2235   2.5970   10.579   5.1618   12.443   5.7353 -1.863970 7.716023 
1 1 1   16    4    0 f  156.596   2.5992  192.667   6.3834  192.667   6.3834  192.667   6.3834  156.596   2.5992  156.596   2.5992 0.000000 0.000000 
1 1 1   16    4    1 o  331.436   1.8594  862.374   9.6711  857.336   13.642  867.464   13.713  330.383   2.6312  332.329   2.6293 -1.946075 3.719712 
1 1 1   16    4    2 o  199.429   1.7821  312.223   5.5773  301.929   7.7622  323.208   8.0190  196.066   2.5228  202.858   2.5190 -6.791840 3.565045 
1 1 1   16    4    3 o  108.591   2.1054   92.593   3.5878   91.329   4.8328   94.144   5.3551  107.777   2.8599  109.405   3.1223 -1.628418 4.234107 
1 1 1   16    4    4 o  261.441   1.8370  536.639   7.5370  544.819   10.766  528.776   10.555  263.347   2.6051  259.442   2.5925 3.904755 3.675215 
1 1 1   16    4    5 o  225.142   1.7901  397.977   6.3249  395.593   8.9215  400.386   8.9680  224.398   2.5335  225.753   2.5314 -1.355362 3.581377 
1 1 1   16    4    6 o   67.883   2.4791   36.251   2.6365   33.012   4.0165   38.704   3.4949   64.635   3.9791   70.087   3.1859 -5.451889 5.097349 
1 1 1   16    4    7 o  183.042   1.6286  263.051   4.6781  261.902   6.6043  264.207   6.6274  182.587   2.3049  183.389   2.3028 -0.8016052 3.258142 
1 1 1   16    4    8 o  200.432   1.6284  315.425   5.1220  313.625   7.2297  317.238   7.2576  199.793   2.3059  200.941   2.3015 -1.147781 3.257931 
1 1 1   16    4    9 o  202.236   1.6449  321.156   5.2203  323.241   7.4534  319.149   7.3138  202.813   2.3418  201.529   2.3126 1.284149 3.291210 
1 1 1   16    4   10 o   52.699   2.9375   21.917   2.4197   18.779   3.7165   24.226   3.1879   48.489   4.9536   55.325   3.6930 -6.835949 6.178702 
1 1 1   16    4   11 o  222.914   1.5925  390.249   5.5708  388.461   7.6266  392.293   8.1566  222.315   2.1860  223.383   2.3268 -1.068497 3.192577 
1 1 1   16    4   12 o  142.780   1.5607  160.117   3.4970  162.326   4.9508  157.918   4.9402  143.692   2.1955  141.724   2.2212 1.967957 3.123173 
1 1 1   16    4   13 o  152.012   1.5456  181.513   3.6870  181.663   5.2312  181.365   5.1973  151.992   2.1932  151.868   2.1807 0.1231689 3.092844 
1 1 1   16    4   14 o   44.564   2.9869   15.724   2.0769   14.927   2.9306   16.528   2.9436   43.188   4.3847   45.507   4.1682 -2.318962 6.049752 
1 1 1   16    4   15 o  154.303   1.6598  187.124   4.0193  191.382   5.7608  183.085   5.6104  155.921   2.3544  152.506   2.3442 3.415039 3.322399 
1 1 1   16    4   16 o  109.205   1.8294   93.797   3.1352   93.620   4.4910   93.966   4.3787  108.965   2.6264  109.180   2.5556 -0.2155457 3.664560 
1 1 1   16    4   17 o   51.084   2.8656   20.683   2.2880   17.768   3.2929   23.403   3.1815   46.973   4.5229   54.161   3.7666 -7.188156 5.885950 
1 1 1   16    4   18 o   44.578   3.2983   15.851   2.2911   12.559   3.2395   19.146   3.2406   39.079   5.4288   48.761   4.2782 -9.682404 6.911967 
1 1 1   16    4   19 o   22.234   5.9746   4.1875   2.1290   9.5924   2.9105  -2.0334   3.1224   33.899   5.6712   13.725   6.3125 20.17450 8.485868 
1 1 1   16    4   20 o   35.190   4.5577   10.155   2.4579   10.753   3.7555   9.7066   3.2508   35.272   7.0315   33.734   6.3743 1.538849 9.490714 
1 1 1   16    4   21 o   20.429   6.3119   3.5212   2.2273   5.5756   3.1543   1.4783   3.1454   25.203   7.4538   17.784   7.2184 7.419058 10.37616 
1 1 1   16    4   22 o   33.360   4.4069   9.1938   2.2507   6.9770   3.1435   11.526   3.2240   27.967   7.1391   36.812   5.7703 -8.845360 9.179451 
1 1 1   16    4   23 o   18.460   6.2751   2.8097   2.1717   2.1381   3.0436   3.5063   3.0997   18.303   7.2099   20.709   7.4624 -2.405495 10.37639 
1 1 1   16    4   24 o   37.854   4.0495   11.923   2.3682   12.259   3.7420   11.699   3.0587   36.663   6.7527   36.660   5.4849 0.2445221E-02 8.699580 
1 1 1   16    4   25 o   14.939   5.8484   1.5156   1.9921  -1.6337   2.8005   4.7414   2.8343   12.562   5.8473   22.155   7.1565 -9.592616 9.241577 
1 1 1   16    4   26 o   28.495   4.6590   7.1588   2.0115   5.7426   2.8388   8.5869   2.8506   23.822   7.0777   30.025   6.2531 -6.203625 9.444364 
1 1 1   16    4   27 o   13.924   5.7309   1.1400   2.0170  -1.1977   2.9780   3.1213   2.7416   13.008   6.0463   18.270   6.9368 -5.262156 9.202015 
1 1 1   16    4   28 o   11.621   5.2405  -0.2342   2.0218   1.0884   2.8427  -1.5882   2.8762   14.860   6.4796   12.190   5.7535 2.669709 8.665358 
1 1 1   16    4   29 o   8.4850   4.1693  -2.9491   1.9253  -1.4491   2.8955  -4.1379   2.5777   11.841   5.6417   9.4383   4.6725 2.402383 7.325383 
1 1 1   16    5    0 o  125.631   2.3282  124.024   4.5865  124.024   4.5865  124.024   4.5865  125.631   2.3282  125.631   2.3282 0.000000 0.000000 
1 1 1   16    5    1 o   87.409   1.9042   59.987   2.6120   61.392   3.7148   58.613   3.6733   88.361   2.6821   86.333   2.7147 2.027115 3.816127 
1 1 1   16    5    2 o  237.617   1.5711  443.217   5.8585  448.421   8.3199  438.099   8.2508  238.958   2.2187  236.191   2.2260 2.766983 3.142863 
1 1 1   16    5    3 o   78.288   2.1599   48.169   2.6511   42.543   3.6922   54.157   3.8090   73.495   3.2090   82.962   2.9303 -9.467201 4.345560 
1 1 1   16    5    4 o  258.347   1.7048  523.995   6.9115  517.638   9.7080  530.530   9.8422  256.704   2.4098  259.880   2.4133 -3.176605 3.410478 
1 1 1   16    5    5 o  108.170   1.8444   91.874   3.1310   90.983   4.4127   92.777   4.4432  107.606   2.6131  108.662   2.6056 -1.056328 3.690200 
1 1 1   16    5    6 o  149.505   1.7408  175.501   4.0841  178.905   6.0357  172.625   5.5469  150.890   2.5489  148.232   2.3845 2.658737 3.490415 
1 1 1   16    5    7 o  229.784   1.7977  414.624   6.4827  402.922   9.0616  426.890   9.2780  226.430   2.5502  233.069   2.5367 -6.639236 3.596938 
1 1 1   16    5    8 o  178.970   1.6979  251.516   4.7687  256.138   7.0731  247.665   6.4569  180.527   2.4967  177.536   2.3176 2.990952 3.406515 
1 1 1   16    5    9 o  104.175   1.9904   85.252   3.2539   81.402   5.0051   88.071   4.2824  101.659   3.1411  105.841   2.5782 -4.181885 4.063726 
1 1 1   16    5   10 o  116.594   2.0866  106.820   3.8179  109.107   5.4542  104.623   5.3461  117.713   2.9549  115.267   2.9579 2.446106 4.180984 
1 1 1   16    5   11 o   41.369   3.2831   13.567   2.1139   15.420   3.0768   11.910   2.9094   43.935   4.5273   38.479   4.9311 5.455124 6.694205 
1 1 1   16    5   12 o   61.332   2.4876   29.642   2.3893   30.623   3.3851   28.667   3.3729   62.217   3.4810   60.175   3.5880 2.041698 4.999090 
1 1 1   16    5   13 o   65.753   2.4699   34.071   2.5441   35.142   3.8133   33.212   3.4153   66.611   3.6620   64.797   3.3702 1.814301 4.976828 
1 1 1   16    5   14 o  104.671   1.9778   86.148   3.2487   86.526   4.6983   85.801   4.4971  104.742   2.8610  104.322   2.7494 0.4193954 3.967921 
1 1 1   16    5   15 o  104.935   1.9929   86.615   3.2818   90.357   4.7650   83.238   4.5265  107.005   2.8401  102.706   2.8111 4.298622 3.996049 
1 1 1   16    5   16 o   84.515   2.2261   56.292   2.9498   56.361   4.2616   56.229   4.0872   84.364   3.2249   84.295   3.0950 0.6835175E-01 4.469752 
1 1 1   16    5   17 o   34.745   4.0417   9.7349   2.1627   8.5080   2.9354   11.191   3.1983   31.916   6.0829   36.832   5.7188 -4.916540 8.349004 
1 1 1   16    5   18 o   27.963   5.1749   6.4982   2.1872   5.3899   3.0908   7.6099   3.0956   25.177   7.3603   29.863   6.7632 -4.685276 9.995794 
1 1 1   16    5   19 o   82.767   2.1785   54.114   2.8271   57.981   4.0034   50.267   3.9927   85.424   2.9910   79.456   3.2087 5.968681 4.386573 
1 1 1   16    5   20 o   71.268   2.4543   40.256   2.7408   42.386   3.7668   37.859   3.9954   72.839   3.3040   68.666   3.7217 4.172844 4.976665 
1 1 1   16    5   21 o   14.869   6.0073   0.9766   2.1669   1.8645   3.0650   0.0893   3.0639   18.195   7.2138   15.704   6.7880 2.490891 9.905350 
1 1 1   16    5   22 o   30.400   4.9214   7.7659   2.2676   6.4070   3.2363   9.0765   3.1783   26.670   7.4481   32.200   6.5136 -5.530344 9.894539 
1 1 1   16    5   23 o   54.451   2.9413   23.819   2.5040   26.105   3.8008   22.066   3.3283   56.259   4.3386   51.821   4.1268 4.437550 5.987779 
1 1 1   16    5   24 o   11.030   5.1793  -1.8978   2.2779   0.0540   3.3130  -3.6478   3.1371   15.610   6.8944   11.960   5.7450 3.650005 8.974294 
1 1 1   16    5   25 o   23.745   5.5194   5.1400   2.0175   5.2655   2.8763   5.0184   2.8306   23.140   7.1768   22.643   7.1342 0.4970074 10.11945 
1 1 1   16    5   26 o   9.7753   4.6489  -1.9122   1.9474  -1.6243   2.7653  -2.1954   2.7429   12.265   5.7422   11.725   5.5590 0.5398550 7.992194 
1 1 1   16    5   27 f   18.858   5.9213   3.4275   1.9516   0.3857   2.7710   6.4213   2.7490   14.198   6.2864   25.049   6.8140 -10.85086 9.270892 
1 1 1   16    5   28 o   12.757   5.5294   0.5988   2.0444  -2.1660   2.8960   3.3456   2.8865   11.696   5.5920   18.021   7.0443 -6.324692 8.994043 
1 1 1   16    5   29 o   10.476   4.9042  -0.8585   2.0164   4.0692   2.8997  -5.4728   2.8059   18.194   7.0751   9.2532   4.6278 8.940802 8.454237 
1 1 1   16    6    0 o   20.087   8.7909   4.5651   2.8863   4.5651   2.8863   4.5651   2.8863   20.087   8.7909   20.087   8.7909 0.000000 0.000000 
1 1 1   16    6    1 o  140.028   1.6102  153.928   3.5383  159.422   5.0493  148.628   4.9597  142.472   2.2584  137.562   2.2975 4.909744 3.221576 
1 1 1   16    6    2 o  255.484   1.5968  512.407   6.4019  510.738   9.0295  514.094   9.0779  255.005   2.2564  255.841   2.2610 -0.8357697 3.194289 
1 1 1   16    6    3 o   59.364   2.5716   27.740   2.3900   28.820   3.2794   26.516   3.4905   60.434   3.4725   57.919   3.8624 2.514931 5.193859 
1 1 1   16    6    4 o   83.229   1.9575   54.397   2.5567   52.958   3.6068   55.849   3.6249   82.039   2.8056   84.256   2.7451 -2.216858 3.925225 
1 1 1   16    6    5 o  163.639   1.5652  210.227   4.0193  213.044   5.6941  207.429   5.6743  164.688   2.2032  162.501   2.2251 2.186447 3.131334 
1 1 1   16    6    6 o   55.965   2.7528   24.680   2.4103   23.867   3.3675   25.533   3.4513   54.912   3.9339   56.810   3.8948 -1.898140 5.535789 
1 1 1   16    6    7 o  122.348   1.7525  117.548   3.3647  116.054   4.7322  119.076   4.7852  121.519   2.4815  123.092   2.4772 -1.572533 3.506326 
1 1 1   16    6    8 o  119.962   1.7808  113.019   3.3525  112.087   4.7239  113.965   4.7586  119.412   2.5208  120.408   2.5183 -0.9960480 3.563234 
1 1 1   16    6    9 o  129.139   2.0431  131.028   4.1405  135.469   5.8845  126.673   5.8271  131.226   2.8575  126.886   2.9264 4.339745 4.090099 
1 1 1   16    6   10 o   67.012   2.5852   35.372   2.7135   34.633   3.5831   36.365   4.1550   66.206   3.4607   67.781   3.9230 -1.574242 5.231316 
1 1 1   16    6   11 o   43.697   3.2406   15.127   2.2064   14.558   3.1860   15.650   3.0584   42.606   4.8513   44.265   4.4637 -1.658836 6.592412 
1 1 1   16    6   12 o   36.090   3.8499   10.402   2.1468   10.285   3.0548   10.517   3.0177   35.527   5.6696   35.967   5.5227 -0.4397850 7.914812 
1 1 1   16    6   13 o  122.128   1.8609  117.237   3.5666  124.601   5.2832  111.071   4.8344  125.789   2.6764  118.776   2.5936 7.012764 3.726913 
1 1 1   16    6   14 o  141.230   1.8473  156.810   4.0942  160.352   5.8977  153.514   5.6881  142.673   2.6341  139.606   2.5963 3.067276 3.698553 
1 1 1   16    6   15 o   76.262   2.3005   45.837   2.7500   46.861   3.8001   44.711   3.9848   76.962   3.1531   75.124   3.3887 1.837425 4.628738 
1 1 1   16    6   16 o   76.637   2.3364   46.330   2.8066   46.080   3.9795   46.577   3.9590   76.221   3.3350   76.641   3.2994 -0.4197769 4.691298 
1 1 1   16    6   17 o   25.828   5.7453   5.6009   2.2686   7.3427   3.2568   3.9593   3.1617   29.318   7.1450   22.409   7.5719 6.909098 10.41074 
1 1 1   16    6   18 o   52.165   3.1088   21.663   2.5334   22.886   3.6256   20.496   3.5414   53.255   4.3768   50.329   4.5324 2.926613 6.300700 
1 1 1   16    6   19 o   45.104   3.6067   16.339   2.5316   16.993   3.5705   15.677   3.5902   45.501   5.0872   43.578   5.3628 1.923412 7.391867 
1 1 1   16    6   20 o   13.250   5.8447  -0.4738   2.3738  -0.8956   3.3259  -0.0358   3.3890   15.267   6.8157   16.363   7.1056 -1.095717 9.845952 
1 1 1   16    6   21 o   21.645   6.3426   4.0351   2.2928  -0.7463   3.3786   8.1174   3.1218   15.457   6.8871   30.452   6.7134 -14.99462 9.617785 
1 1 1   16    6   22 o   40.750   3.7176   13.512   2.3512   13.435   3.4262   13.581   3.2325   39.739   5.6532   40.164   5.2544 -0.4248276 7.717938 
1 1 1   16    6   23 o   24.371   6.4056   5.3406   2.4815   3.7131   3.5573   6.8835   3.4635   21.286   7.9402   27.086   7.7539 -5.799965 11.09817 
1 1 1   16    6   24 o   11.425   5.3158  -1.5585   2.3108  -2.7080   3.2997  -0.4523   3.2371   12.976   6.1358   14.838   6.6663 -1.861998 9.060222 
1 1 1   16    6   25 o   16.109   5.9729   2.1171   2.0072   2.4389   2.8896   1.8171   2.7902   17.676   7.0055   16.575   6.7720 1.100700 9.743529 
1 1 1   16    6   26 o   23.903   5.4832   5.3252   2.0130   5.2193   2.8459   5.4312   2.8479   22.525   7.1605   22.972   7.1439 -0.4475975 10.11480 
1 1 1   16    6   27 o   30.182   4.4309   8.0609   2.0362   10.370   2.9352   5.9191   2.8272   32.972   5.8887   23.699   7.0686 9.272892 9.200149 
1 1 1   16    6   28 o   15.090   5.8015   2.0599   1.9333   1.7175   2.7879   2.3770   2.6832   15.306   6.5431   16.174   6.6283 -0.8684225 9.313749 
1 1 1   16    6   29 o   11.140   5.0946  -0.1739   1.9947   0.5457   2.8549  -0.8602   2.7882   13.367   6.1061   11.975   5.6559 1.392081 8.323092 
1 1 1   16    7    0 o  166.962   2.2188  218.960   5.8112  218.960   5.8112  218.960   5.8112  166.962   2.2188  166.962   2.2188 0.000000 0.000000 
1 1 1   16    7    1 o  337.362   1.7590  893.615   9.3125  904.205   13.280  883.368   13.063  339.245   2.4944  335.316   2.4824 3.929626 3.519166 
1 1 1   16    7    2 o   57.281   2.4979   25.828   2.2400   26.831   3.1656   24.822   3.1700   58.298   3.4759   56.051   3.6233 2.247612 5.020983 
1 1 1   16    7    3 o   98.380   1.7801   75.996   2.7482   76.587   3.8773   75.399   3.8959   98.696   2.5054   97.925   2.5373 0.7711334 3.565761 
1 1 1   16    7    4 o  119.301   1.6656  111.749   3.1184  115.156   4.4362  108.421   4.3844  121.069   2.3349  117.472   2.3783 3.596725 3.332892 
1 1 1   16    7    5 o   81.466   2.1104   52.166   2.6957   53.754   3.5430   49.984   4.1542   82.648   2.7355   79.637   3.3314 3.011642 4.310586 
1 1 1   16    7    6 o   69.615   2.1524   38.109   2.3486   36.856   3.3132   39.374   3.3297   68.381   3.0956   70.691   3.0083 -2.309868 4.316559 
1 1 1   16    7    7 o   52.742   2.6325   21.924   2.1720   24.098   3.0954   19.815   3.0486   55.203   3.5926   49.993   3.9171 5.209938 5.315117 
1 1 1   16    7    8 o  124.012   1.9208  120.810   3.7381  126.717   5.8801  116.803   4.8425  126.908   2.9525  121.886   2.5317 5.021736 3.889299 
1 1 1   16    7    9 o   78.419   2.5591   48.413   3.1450   49.872   4.1926   46.534   4.7560   79.498   3.3682   76.701   3.9647 2.796898 5.202285 
1 1 1   16    7   10 o   66.389   2.7735   34.747   2.8832   35.607   3.8986   33.708   4.2835   67.084   3.7178   65.188   4.2097 1.895607 5.616366 
1 1 1   16    7   11 o   51.809   3.1267   21.227   2.5304   19.967   3.6043   22.450   3.5532   50.004   4.6463   53.109   4.3000 -3.105034 6.330762 
1 1 1   16    7   12 o  107.820   2.0108   91.395   3.4023   90.161   4.4324   93.165   5.3083  107.015   2.6393  108.668   3.1160 -1.652794 4.083529 
1 1 1   16    7   13 o   50.816   3.0675   20.437   2.4348   18.805   3.4889   21.986   3.3994   48.461   4.6444   52.531   4.1575 -4.069778 6.233435 
1 1 1   16    7   14 o   77.656   2.1830   47.494   2.6577   47.765   3.7296   47.214   3.7882   77.740   3.0631   77.277   3.1302 0.4631195 4.379622 
1 1 1   16    7   15 o   12.805   5.5734  -0.3097   2.0949  -2.0319   2.9482   1.4465   2.9772   13.380   6.1466   17.820   7.0952 -4.439985 9.387362 
1 1 1   16    7   16 f   41.485   3.6018   13.755   2.3216   10.818   3.2049   16.998   3.3677   36.181   5.8436   45.867   4.7473 -9.686447 7.528893 
1 1 1   16    7   17 o   61.996   2.6228   30.427   2.5460   30.154   3.5573   30.714   3.6455   61.448   3.7062   62.000   3.7645 -0.5521927 5.282716 
1 1 1   16    7   18 o   30.587   4.6186   7.6861   2.1479   5.3518   3.1343   9.7532   2.9495   25.020   7.4378   34.179   5.6994 -9.158924 9.370369 
1 1 1   16    7   19 o   40.169   3.5647   12.984   2.2238   16.743   3.2100   9.5158   3.0837   45.314   4.5767   33.509   6.0883 11.80583 7.616663 
1 1 1   16    7   20 o   32.061   4.5593   8.4863   2.2294   10.172   3.1926   6.8820   3.1144   34.542   6.1134   27.971   7.0877 6.570574 9.359976 
1 1 1   16    7   21 o   20.168   6.2018   3.4613   2.1533   9.0003   3.0587  -1.9809   3.0318   32.246   6.2702   13.349   6.1686 18.89700 8.795898 
1 1 1   16    7   22 o   21.737   6.3194   4.1504   2.2840   5.0007   3.2827   3.3524   3.1798   23.671   7.7061   20.556   7.5359 3.115614 10.77837 
1 1 1   16    7   23 o   60.687   3.2081   29.819   3.0444   26.275   4.3756   33.145   4.2386   55.693   5.0617   63.230   4.2971 -7.537354 6.639772 
1 1 1   16    7   24 o   15.094   6.3091   1.0246   2.4980   0.4633   3.6394   1.5245   3.4348   16.451   7.2477   17.358   7.3352 -0.9064045 10.31182 
1 1 1   16    7   25 o   24.061   5.8772   5.4357   2.1998   5.1853   3.1436   5.6759   3.0794   22.545   7.5497   23.565   7.4433 -1.019138 10.60197 
1 1 1   16    7   26 o   18.500   6.3326   3.2744   2.2124   4.1676   3.3243   2.5641   2.9642   20.265   7.6512   17.537   7.0468 2.728462 10.40178 
1 1 1   16    7   27 o   25.703   5.3746   6.2263   2.0981   7.8386   2.9345   4.5405   3.0008   27.526   6.8269   20.569   7.3508 6.956373 10.03200 
1 1 1   16    7   28 o   11.198   5.0816  -0.2062   1.9368  -2.7231   2.7839   2.1551   2.6964   10.855   5.2624   15.622   6.5442 -4.767512 8.397604 
1 1 1   16    8    0 o  446.564   2.8911  1566.45   20.259  1566.45   20.259  1566.45   20.259  446.564   2.8911  446.564   2.8911 0.000000 0.000000 
1 1 1   16    8    1 o  230.782   1.5851  418.153   5.7408  418.064   8.1129  418.243   8.1245  230.691   2.2410  230.740   2.2437 -0.4928589E-01 3.171160 
1 1 1   16    8    2 o  115.093   1.7007  104.008   3.0717  108.232   4.3905   99.959   4.2990  117.368   2.3837  112.790   2.4288 4.578171 3.403096 
1 1 1   16    8    3 o  106.606   1.7441   89.241   2.9178   89.621   4.1371   88.865   4.1159  106.793   2.4686  106.342   2.4663 0.4508896 3.489480 
1 1 1   16    8    4 o   56.324   2.5429   24.984   2.2419   26.163   3.1923   23.836   3.1491   57.543   3.5524   54.900   3.6764 2.643055 5.112317 
1 1 1   16    8    5 o  168.779   1.6827  223.689   4.4568  223.081   5.9072  224.492   6.7903  168.500   2.2340  168.997   2.5604 -0.4963989 3.397969 
1 1 1   16    8    6 o   97.224   1.9800   74.253   3.0209   70.664   4.2457   77.934   4.2992   94.744   2.8588   99.514   2.7556 -4.769745 3.970678 
1 1 1   16    8    7 o  144.571   1.7254  164.152   3.9144  164.634   5.5228  163.665   5.5490  144.716   2.4318  144.288   2.4506 0.4284515 3.452448 
1 1 1   16    8    8 o  144.428   1.7967  163.857   4.0723  167.964   5.5981  159.241   5.9348  146.158   2.4407  142.286   2.6579 3.872681 3.608504 
1 1 1   16    8    9 o  155.484   1.9247  189.959   4.6962  186.958   6.3046  193.700   7.0387  154.161   2.6060  156.874   2.8592 -2.713531 3.868602 
1 1 1   16    8   10 o  115.856   1.8516  105.473   3.3665  113.242   4.7523   97.647   4.7696  119.973   2.5242  111.381   2.7288 8.591805 3.717193 
1 1 1   16    8   11 o   55.683   2.7488   24.474   2.3946   22.931   3.3550   26.076   3.4187   53.712   4.0092   57.328   3.8219 -3.615112 5.539011 
1 1 1   16    8   12 o   55.910   2.9618   24.707   2.5894   23.957   3.6361   25.479   3.6885   54.839   4.2585   56.578   4.1838 -1.738716 5.969849 
1 1 1   16    8   13 o   83.770   2.3020   55.273   3.0234   52.065   4.2415   58.587   4.3108   81.129   3.3386   86.096   3.1961 -4.967438 4.621831 
1 1 1   16    8   14 o   45.391   3.6141   16.409   2.5532   12.455   3.5732   20.533   3.6495   38.942   6.0428   50.584   4.6494 -11.64193 7.624424 
1 1 1   16    8   15 f   49.171   3.2569   19.214   2.4990   21.713   3.6889   17.094   3.3973   51.981   4.5686   46.024   4.7729 5.956760 6.607037 
1 1 1   16    8   16 o   75.267   2.2497   44.705   2.6543   45.383   3.8565   44.096   3.6587   75.602   3.2582   74.553   3.1342 1.048790 4.520958 
1 1 1   16    8   17 o   55.135   2.7013   24.106   2.3301   23.201   3.2995   25.005   3.2912   53.772   3.9374   55.882   3.7751 -2.110046 5.454753 
1 1 1   16    8   18 o   67.811   2.3400   36.383   2.4864   36.486   3.5307   36.280   3.5021   67.619   3.3375   67.433   3.3196 0.1857758 4.707282 
1 1 1   16    8   19 o   38.579   3.7892   12.038   2.2645   12.569   3.2838   11.556   3.1269   38.794   5.5520   37.182   5.5267 1.611988 7.833836 
1 1 1   16    8   20 o   34.901   4.2595   9.9888   2.2846   11.434   3.2094   8.5045   3.2530   36.769   5.7503   31.161   6.8401 5.607738 8.936038 
1 1 1   16    8   21 o   24.631   5.6518   5.2440   2.1382   4.8514   3.0962   5.6019   2.9563   23.492   7.4689   25.064   7.1601 -1.571592 10.34658 
1 1 1   16    8   22 o   73.574   2.2944   43.057   2.6458   42.760   3.7432   43.354   3.7404   72.806   3.2846   73.326   3.2586 -0.5202179 4.626815 
1 1 1   16    8   23 f   62.125   2.6559   31.016   2.5834   31.143   3.5404   30.871   3.7780   61.592   3.6797   61.109   3.9609 0.4827766 5.406361 
1 1 1   16    8   24 o   20.863   6.4695   4.0958   2.3374   4.1724   3.2579   4.0145   3.3554   21.005   7.6391   20.764   7.7181 0.2408619 10.85936 
1 1 1   16    8   25 o   20.673   6.1088   4.0984   2.1194   3.9281   3.0461   4.2582   2.9507   20.058   7.3721   20.667   7.2989 -0.6084232 10.37409 
1 1 1   16    8   26 o   26.370   5.2309   6.4119   2.0882   3.2698   3.0024   9.3563   2.9064   18.609   7.2096   31.144   6.1649 -12.53473 9.486021 
1 1 1   16    8   27 o   13.750   5.7411   1.1317   2.0651   4.9194   3.1053  -1.8721   2.7653   20.964   7.4792   11.739   5.5705 9.224669 9.325719 
1 1 1   16    8   28 o   16.744   6.1221   2.9902   2.0965   0.1682   2.9918   5.7129   2.9386   13.406   6.1708   21.401   7.2990 -7.994775 9.557969 
1 1 1   16    9    0 o  156.503   2.4363  192.474   5.9802  192.474   5.9802  192.474   5.9802  156.503   2.4363  156.503   2.4363 0.000000 0.000000 
1 1 1   16    9    1 o  114.901   1.7482  103.674   3.1522  101.748   4.3530  105.799   4.5708  113.786   2.4378  116.023   2.5104 -2.237778 3.499264 
1 1 1   16    9    2 o   78.527   2.1373   48.480   2.6314   51.886   3.7374   45.131   3.7055   81.172   2.9388   75.678   3.1269 5.493881 4.291167 
1 1 1   16    9    3 o   39.334   4.0851   12.324   2.4849   12.060   3.5169   12.588   3.5115   38.572   6.0055   39.454   5.8481 -0.8826828 8.382502 
1 1 1   16    9    4 o   41.145   3.9056   13.460   2.4916   8.8640   3.4544   18.443   3.5972   32.786   6.9310   48.084   4.8326 -15.29840 8.449416 
1 1 1   16    9    5 o   76.474   3.0867   46.095   3.6968   44.141   5.0637   48.325   5.4094   74.667   4.3402   78.123   4.4304 -3.455826 6.202122 
1 1 1   16    9    6 o  121.290   1.9829  115.580   3.7742  115.221   5.3314  115.941   5.3438  121.024   2.8071  121.402   2.8049 -0.3776321 3.968284 
1 1 1   16    9    7 o  215.876   1.6926  366.037   5.7341  365.564   8.0459  366.525   8.1741  215.631   2.3777  215.908   2.4125 -0.2769318 3.387239 
1 1 1   16    9    8 o  123.870   1.8071  120.547   3.5129  123.144   4.9411  117.893   4.9953  125.124   2.5164  122.417   2.6002 2.707130 3.618462 
1 1 1   16    9    9 o   91.870   2.0513   66.343   2.9574   64.107   4.1067   68.751   4.2624   90.182   2.9056   93.394   2.9118 -3.211899 4.113475 
1 1 1   16    9   10 o   99.079   1.9804   77.166   3.0793   79.525   4.3287   74.748   4.3813  100.461   2.7483   97.376   2.8702 3.085297 3.973835 
1 1 1   16    9   11 o   19.843   6.0326   3.1659   2.0449   3.8984   2.8981   2.4396   2.8858   22.302   7.2392   19.435   7.1699 2.866472 10.18888 
1 1 1   16    9   12 o   22.719   5.6842   4.2830   2.0214   2.4635   2.8105   6.2329   2.9094   19.322   7.0846   27.304   6.8126 -7.981375 9.828678 
1 1 1   16    9   13 o   59.554   2.5057   27.990   2.3366   28.337   3.3203   27.649   3.2887   59.750   3.5572   59.016   3.5676 0.7337952 5.038022 
1 1 1   16    9   14 o   47.772   2.9963   18.098   2.2350   17.668   3.1549   18.531   3.1667   46.931   4.3326   48.093   4.2392 -1.162601 6.061502 
1 1 1   16    9   15 o   28.823   5.3202   6.8789   2.3178   7.5214   3.2866   6.2432   3.2692   29.731   7.1351   27.104   7.4543 2.627647 10.31878 
1 1 1   16    9   16 o   39.770   3.8371   12.714   2.3651   16.263   3.3880   9.3406   3.3031   44.715   4.9087   33.240   6.5652 11.47517 8.197386 
1 1 1   16    9   17 o   56.809   3.0014   25.672   2.6663   24.754   3.9082   26.471   3.6468   55.299   4.5436   57.364   4.0776 -2.065411 6.104953 
1 1 1   16    9   18 o   84.624   2.2623   56.638   3.0017   57.528   4.3065   55.798   4.1860   84.938   3.2368   83.666   3.1941 1.271446 4.547405 
1 1 1   16    9   19 o   38.240   3.9291   11.872   2.3243   12.994   3.3158   10.788   3.2591   39.420   5.5103   35.639   6.0430 3.781654 8.178124 
1 1 1   16    9   20 o   16.773   6.2294   1.9598   2.1849  -0.0489   3.0744   4.0095   3.1057   15.512   6.7516   21.932   7.5030 -6.419926 10.09353 
1 1 1   16    9   21 o   26.237   5.5272   5.9459   2.2038   6.0636   3.1723   5.8362   3.0637   25.854   7.4270   25.415   7.2982 0.4390907 10.41268 
1 1 1   16    9   22 o   70.733   2.3615   39.884   2.6177   40.260   3.7281   39.517   3.6763   70.492   3.3799   69.847   3.3638 0.6440887 4.768581 
1 1 1   16    9   23 o   33.506   4.3435   9.5144   2.2301   9.3453   3.1933   9.6755   3.1160   31.739   6.6254   32.523   6.3329 -0.7840862 9.165252 
1 1 1   16    9   24 o   13.121   5.7565   0.1156   2.2742  -1.0848   3.0873   1.5397   3.3627   13.620   6.2688   16.971   7.2182 -3.351011 9.560325 
1 1 1   16    9   25 o   20.495   6.1546   4.0719   2.1377   3.9295   3.0559   4.2084   2.9916   19.922   7.3729   20.427   7.3348 -0.5056362 10.40001 
1 1 1   16    9   26 o   13.808   5.7565   1.0593   2.0714   4.9487   2.9813  -2.5710   2.8803   21.521   7.3515   11.604   5.5555 9.917173 9.214572 
1 1 1   16    9   27 o   13.302   5.6911   0.9086   2.1122   1.0403   3.0735   0.7907   2.9076   14.890   6.6053   14.388   6.4012 0.5016880 9.198116 
1 1 1   16    9   28 o   11.998   5.3960   0.2867   2.1269   1.1923   3.0747  -0.5442   2.9454   14.316   6.4587   12.524   5.8836 1.791282 8.736768 
1 1 1   16   10    0 o   13.148   8.5279  -0.1912   4.1826  -0.1912   4.1826  -0.1912   4.1826   13.148   8.5279   13.148   8.5279 0.000000 0.000000 
1 1 1   16   10    1 o   72.749   3.1628   41.728   3.6022   37.923   5.0140   45.786   5.1785   69.147   4.6476   76.053   4.3571 -6.905876 6.370624 
1 1 1   16   10    2 o  134.988   2.1531  143.177   4.5611  146.279   6.5628  140.279   6.3436  136.344   3.0672  133.524   3.0274 2.820480 4.309656 
1 1 1   16   10    3 f   16.284   6.3974   1.2296   2.3908  -0.3012   3.4867   2.5880   3.2845   16.824   7.2564   20.492   7.6325 -3.667986 10.53136 
1 1 1   16   10    4 o   79.136   2.3438   49.269   2.9076   45.276   4.2417   52.809   3.9934   75.720   3.5797   81.850   3.1146 -6.129967 4.745035 
1 1 1   16   10    5 o  138.267   1.9396  150.202   4.2085  155.239   6.6102  146.769   5.4576  140.439   2.9993  136.613   2.5457 3.826004 3.933963 
1 1 1   16   10    6 o   44.181   3.4041   15.471   2.3419   18.851   3.3540   12.255   3.2716   48.641   4.4429   38.932   5.5085 9.709354 7.076901 
1 1 1   16   10    7 o   74.278   2.3730   43.432   2.7625   37.857   3.8806   49.160   3.9336   69.192   3.5861   78.932   3.1822 -9.739403 4.794380 
1 1 1   16   10    8 o  126.150   1.8336  125.049   3.6300  128.261   5.1668  121.919   5.1009  127.670   2.5789  124.469   2.6114 3.200912 3.670159 
1 1 1   16   10    9 o  102.227   1.9900   82.150   3.1925   83.239   4.5321   81.077   4.4978  102.770   2.8128  101.423   2.8286 1.346886 3.989093 
1 1 1   16   10   10 o   68.110   2.5003   36.564   2.6679   37.873   3.7980   35.289   3.7484   69.171   3.5103   66.749   3.5916 2.422134 5.022170 
1 1 1   16   10   11 o  144.003   1.7682  162.997   3.9960  165.174   5.6799  160.864   5.6228  144.835   2.4990  142.932   2.5068 1.903549 3.539608 
1 1 1   16   10   12 o   96.913   1.9770   73.875   3.0067   71.847   4.1694   76.071   4.3400   95.419   2.7874   98.179   2.8198 -2.760658 3.964956 
1 1 1   16   10   13 o  108.423   1.8333   92.465   3.1194   92.336   4.4005   92.595   4.4225  108.216   2.5912  108.366   2.6006 -0.1498260 3.671152 
1 1 1   16   10   14 o   13.551   5.7599   0.1096   2.1386  -3.2662   3.0705   3.2903   2.9805   12.614   5.9510   20.995   7.3420 -8.380626 9.450863 
1 1 1   16   10   15 f   51.184   2.9772   20.806   2.3810   19.623   3.3778   21.975   3.3569   49.347   4.4082   52.325   4.1213 -2.978149 6.034649 
1 1 1   16   10   16 o   27.302   5.3385   6.2327   2.2053   8.7488   3.1573   3.8360   3.0815   32.099   6.4912   21.977   7.4747 10.12243 9.899837 
1 1 1   16   10   17 o   18.664   6.3642   2.7169   2.2341   3.4743   3.2129   2.0078   3.1086   21.333   7.6081   18.679   7.3078 2.653757 10.54928 
1 1 1   16   10   18 o   83.208   2.4178   54.857   3.1538   54.667   4.4208   55.054   4.5005   82.667   3.4150   82.936   3.4655 -0.2691422 4.865425 
1 1 1   16   10   19 o   39.724   4.1945   12.890   2.5754   10.892   3.6898   14.787   3.5962   35.329   6.9029   41.969   5.5998 -6.640095 8.888656 
1 1 1   16   10   20 o   49.083   3.4717   19.448   2.6569   18.039   3.8374   20.745   3.6822   46.374   5.3723   50.113   4.7385 -3.739223 7.163427 
1 1 1   16   10   21 o   23.487   6.3894   4.9127   2.4170   2.2423   3.4003   7.6400   3.4364   18.965   7.5722   28.788   7.5240 -9.823469 10.67468 
1 1 1   16   10   22 o   27.041   5.5464   6.4517   2.2746   5.1056   3.2298   7.7762   3.2039   23.346   7.6465   28.824   7.1242 -5.478251 10.45103 
1 1 1   16   10   23 o   12.613   5.6086  -0.2600   2.2294  -1.0222   3.2965   0.3825   3.0265   14.264   6.5329   15.198   6.6552 -0.9344130 9.325811 
1 1 1   16   10   24 o   17.504   6.4385   2.7059   2.3242   3.7874   3.3164   1.6620   3.2583   19.956   7.6169   16.821   7.1279 3.134953 10.43191 
1 1 1   16   10   25 o   12.634   5.6358  -0.0742   2.2696  -0.3930   3.2475   0.2303   3.1732   14.270   6.5162   14.766   6.6198 -0.4954042 9.288850 
1 1 1   16   10   26 o   12.130   5.4608  -0.2028   2.1844  -0.1448   3.1280  -0.2581   3.0520   14.079   6.4159   13.837   6.3177 0.2424355 9.004335 
1 1 1   16   10   27 o   17.791   6.1086   3.3584   2.0590   0.2635   2.9184   6.4258   2.9054   13.564   6.1875   23.277   7.2121 -9.713261 9.502558 
1 1 1   16   10   28 o   10.215   4.8166  -0.9876   2.0065  -1.3384   2.8741  -0.6541   2.8024   11.655   5.5718   12.079   5.6945 -0.4241982 7.966943 
1 1 1   16   11    0 o  113.670   2.5727  101.652   4.5840  101.652   4.5840  101.652   4.5840  113.670   2.5727  113.670   2.5727 0.000000 0.000000 
1 1 1   16   11    1 o   53.497   2.9043   22.587   2.4291   20.882   3.3901   24.386   3.4824   51.257   4.2529   55.451   4.0293 -4.194229 5.858551 
1 1 1   16   11    2 f   77.318   2.3717   47.043   2.8744   51.772   4.0864   42.413   4.0438   81.019   3.2204   73.278   3.5269 7.740700 4.775988 
1 1 1   16   11    3 o  128.176   1.8302  129.065   3.6814  122.786   5.1058  135.864   5.3129  124.942   2.6041  131.431   2.5759 -6.489227 3.662852 
1 1 1   16   11    4 o   75.529   2.3774   44.900   2.8144   44.094   3.9102   45.766   4.0541   74.734   3.3425   76.133   3.4018 -1.398544 4.769126 
1 1 1   16   11    5 o  155.291   1.7811  189.457   4.3405  188.412   6.1141  190.518   6.1628  154.765   2.5174  155.627   2.5234 -0.8619690 3.564406 
1 1 1   16   11    6 o  163.459   1.6379  209.886   4.2015  206.145   5.9212  213.680   5.9627  161.903   2.3305  164.840   2.3050 -2.936676 3.277854 
1 1 1   16   11    7 o   77.515   2.2198   47.288   2.6975   51.501   3.8621   43.276   3.7692   80.790   3.0517   74.020   3.2528 6.770370 4.460208 
1 1 1   16   11    8 o  133.215   1.7202  139.443   3.5961  140.336   5.0933  138.556   5.0782  133.546   2.4303  132.695   2.4386 0.8511353 3.442863 
1 1 1   16   11    9 o   24.121   5.8445   4.8283   2.1888   5.3773   3.1070   4.2874   3.0841   25.521   7.3561   23.260   7.4607 2.261000 10.47730 
1 1 1   16   11   10 o  100.991   1.9235   80.196   3.0485   79.146   4.3016   81.255   4.3208  100.184   2.7386  101.515   2.7147 -1.331039 3.856094 
1 1 1   16   11   11 o   73.419   2.2800   42.473   2.6237   42.626   3.7501   42.327   3.6721   73.391   3.2642   73.143   3.2070 0.2480011 4.575993 
1 1 1   16   11   12 o   83.262   2.1707   54.616   2.8338   49.442   4.0805   59.436   3.9385   79.005   3.2984   86.726   2.8979 -7.720451 4.390628 
1 1 1   16   11   13 o   25.173   5.8505   5.3094   2.2671   3.8293   3.3488   6.5617   3.0804   22.445   7.7866   27.823   7.0480 -5.377934 10.50266 
1 1 1   16   11   14 o   45.070   3.4672   16.215   2.4335   17.240   3.5813   15.336   3.3168   46.061   5.0366   43.439   4.9540 2.621529 7.064673 
1 1 1   16   11   15 o   56.526   2.9167   25.376   2.5785   23.947   3.7398   26.672   3.5601   54.485   4.4115   57.669   3.9578 -3.184002 5.926721 
1 1 1   16   11   16 o   38.200   4.1834   11.837   2.4669   13.652   3.5359   10.115   3.4433   40.522   5.7192   34.452   6.6091 6.070210 8.740095 
1 1 1   16   11   17 f   63.950   2.8127   32.522   2.8158   29.440   3.9322   35.767   4.0340   60.350   4.1777   66.680   3.8718 -6.329350 5.695934 
1 1 1   16   11   18 o   48.402   3.7489   18.916   2.8254   21.713   4.3926   16.942   3.6900   51.048   5.5737   45.155   5.3085 5.892365 7.697182 
1 1 1   16   11   19 o   36.898   5.6013   11.520   3.1416   15.116   4.5276   8.1813   4.3627   41.462   7.2206   29.728   8.7593 11.73442 11.35178 
1 1 1   16   11   20 o   41.111   4.3731   13.960   2.7781   12.677   3.8657   15.329   3.9953   37.909   6.7452   42.079   6.2388 -4.170029 9.188066 
1 1 1   16   11   21 o   13.142   6.1417  -2.2866   3.1393  -7.5228   4.0116   5.9860   5.0424   11.992   5.9168   25.407   9.4581 -13.41453 11.15633 
1 1 1   16   11   22 o   15.168   6.5419   0.5536   2.8336  -1.3529   3.9828   2.5077   4.0322   15.465   7.1190   19.463   8.0657 -3.998352 10.75805 
1 1 1   16   11   23 o   27.278   6.5883   7.1492   2.7883   5.7017   3.7977   8.8419   4.1067   23.396   8.2789   28.637   8.5140 -5.240572 11.87557 
1 1 1   16   11   24 o   15.975   6.2761   1.9940   2.3009   4.6730   3.2873  -0.5792   3.2218   21.231   7.6803   14.141   6.4699 7.089337 10.04220 
1 1 1   16   11   25 o   18.785   6.4506   3.4696   2.2961   2.9872   3.2658   3.9411   3.2288   18.203   7.3674   19.663   7.5130 -1.459997 10.52255 
1 1 1   16   11   26 o   25.052   5.8465   6.2287   2.2564   8.7412   3.2342   3.8462   3.1494   28.188   7.2654   18.925   7.3695 9.263477 10.34874 
1 1 1   16   11   27 o   13.223   5.7252   1.0554   2.1872   3.6508   3.1860  -1.2581   3.0080   17.516   7.2053   12.143   5.7757 5.372968 9.234473 
1 1 1   16   12    0 o  204.949   2.3050  330.057   7.4113  330.057   7.4113  330.057   7.4113  204.949   2.3050  204.949   2.3050 0.000000 0.000000 
1 1 1   16   12    1 o   92.118   2.0082   66.690   2.9031   68.717   4.1576   64.761   4.0554   93.391   2.8402   90.658   2.8541 2.732834 4.026458 
1 1 1   16   12    2 o  184.525   1.6250  267.453   4.7057  268.464   6.6647  266.448   6.6450  184.775   2.2984  184.080   2.3003 0.6953888 3.251789 
1 1 1   16   12    3 o  145.595   1.6711  166.522   3.8183  169.899   5.4367  163.235   5.3637  146.980   2.3571  144.066   2.3725 2.913589 3.344293 
1 1 1   16   12    4 o  111.952   1.8420   98.485   3.2362   94.416   4.5636  102.602   4.5898  109.528   2.6550  114.190   2.5613 -4.661728 3.689095 
1 1 1   16   12    5 o   79.893   2.2121   50.232   2.7708   45.279   3.9002   55.278   3.9370   75.710   3.2905   83.711   3.0018 -8.001259 4.454045 
1 1 1   16   12    6 o   45.859   3.5911   16.702   2.5638   15.254   3.5447   18.290   3.7125   43.494   5.3028   47.740   5.0309 -4.246277 7.309535 
1 1 1   16   12    7 o   80.051   2.5144   50.491   3.1547   48.820   4.1660   52.737   4.8303   78.580   3.3863   81.603   3.7822 -3.022827 5.076603 
1 1 1   16   12    8 o   34.009   4.8496   9.3670   2.5150   10.905   3.5925   7.8885   3.5220   36.347   6.5388   30.665   7.4035 5.681904 9.877579 
1 1 1   16   12    9 o   60.070   2.8559   28.511   2.6845   29.272   3.7762   27.734   3.8170   60.671   3.9882   59.017   4.1478 1.654480 5.754131 
1 1 1   16   12   10 o   65.445   2.7114   33.821   2.7787   35.459   3.8781   32.094   3.9832   66.830   3.7124   63.506   4.0174 3.324417 5.470058 
1 1 1   16   12   11 o  120.456   1.8061  114.118   3.4141  117.905   4.8832  110.498   4.7751  122.296   2.5444  118.386   2.5702 3.909584 3.616642 
1 1 1   16   12   12 o   14.106   5.9201   0.3193   2.2129   2.0179   3.1924  -1.2519   3.0703   19.105   7.4252   14.483   6.5008 4.621930 9.868849 
1 1 1   16   12   13 o  123.405   1.8188  119.870   3.5224  123.466   5.0459  116.453   4.9193  125.046   2.5713  121.440   2.5813 3.606079 3.643453 
1 1 1   16   12   14 o   54.187   2.9992   23.336   2.5404   27.059   3.6883   19.976   3.5041   58.061   4.0738   49.702   4.5428 8.359070 6.101875 
1 1 1   16   12   15 o   12.630   5.6373  -0.7725   2.2742   0.6975   3.2944  -2.1108   3.1434   17.184   7.2182   13.699   6.3126 3.485205 9.589167 
1 1 1   16   12   16 o   30.172   5.3038   7.6218   2.4197   8.7250   3.4817   6.5911   3.3653   31.643   7.1771   27.415   7.5722 4.228302 10.43300 
1 1 1   16   12   17 o   40.481   4.1888   13.348   2.6226   15.348   3.7030   11.335   3.7148   42.833   5.6463   36.217   6.7854 6.616096 8.827360 
1 1 1   16   12   18 o   39.354   4.2540   12.683   2.5855   14.864   3.6436   10.471   3.6695   41.998   5.6733   34.513   7.0146 7.485275 9.021629 
1 1 1   16   12   19 o   28.674   6.7193   7.2993   2.9704   15.670   4.4762   0.7118   3.9708   42.184   7.0073   18.113   7.7772 24.07143 10.46844 
1 1 1   16   12   20 f   28.514   5.4487   7.0293   2.3493   5.0078   3.3817   8.9149   3.2661   23.553   7.8292   31.473   6.8110 -7.919609 10.37716 
1 1 1   16   12   21 o   22.117   6.5561   4.4820   2.4379   4.1774   3.3350   4.8315   3.5728   21.584   7.7451   22.806   8.0335 -1.222288 11.15908 
1 1 1   16   12   22 o   19.903   6.3579   3.6675   2.2414   5.4404   3.2329   2.0264   3.1104   23.405   7.6493   17.478   7.1466 5.926716 10.46831 
1 1 1   16   12   23 o   10.733   5.0616  -1.7768   2.2177  -2.4063   3.1139  -1.1287   3.1593   12.454   5.9102   13.609   6.2916 -1.154720 8.632156 
1 1 1   16   12   24 o   14.359   6.0920   1.0111   2.3848   1.4537   3.4049   0.5848   3.3412   16.438   7.1302   15.386   6.8526 1.051055 9.889291 
1 1 1   16   12   25 o   12.876   5.7306   0.1264   2.3325  -0.3216   3.3264   0.5598   3.2715   14.244   6.5382   15.019   6.7284 -0.7748671 9.381855 
1 1 1   16   12   26 o   10.761   5.0636  -1.2055   2.1974  -4.8367   3.2946   1.7041   2.9491   10.732   5.3073   15.300   6.6364 -4.568499 8.497563 
1 1 1   16   12   27 o   13.575   5.7255   1.4984   2.0861   2.6020   3.0123   0.4813   2.8918   15.715   6.7611   13.246   6.0860 2.468826 9.096778 
1 1 1   16   13    0 o   85.678   3.0254   57.934   4.0563   57.934   4.0563   57.934   4.0563   85.678   3.0254   85.678   3.0254 0.000000 0.000000 
1 1 1   16   13    1 o  176.722   1.6465  245.356   4.5661  244.885   6.4646  245.826   6.4504  176.441   2.3347  176.782   2.3251 -0.3407288 3.295004 
1 1 1   16   13    2 o   32.873   4.5996   8.7233   2.3080   8.3606   3.2255   9.1037   3.3038   31.743   6.6865   33.176   6.5781 -1.432993 9.379765 
1 1 1   16   13    3 o   79.398   2.2196   49.619   2.7628   49.643   3.9359   49.596   3.8792   79.289   3.1695   79.259   3.1250 0.3020477E-01 4.450998 
1 1 1   16   13    4 o   45.278   3.3932   16.266   2.3935   14.783   3.3776   17.762   3.3922   42.837   5.1261   47.107   4.6493 -4.270298 6.920424 
1 1 1   16   13    5 o  159.063   1.6865  198.814   4.2099  195.419   5.9143  202.302   5.9939  157.583   2.3916  160.336   2.3822 -2.752914 3.375563 
1 1 1   16   13    6 o   60.090   2.7049   28.501   2.5442   25.845   3.5751   31.226   3.6215   57.007   4.0221   62.748   3.6941 -5.741806 5.461075 
1 1 1   16   13    7 o  134.379   1.8530  141.967   3.9075  138.657   5.2467  146.089   5.8554  132.693   2.5196  136.158   2.7403 -3.465179 3.722620 
1 1 1   16   13    8 o   31.163   4.8680   7.9064   2.3028   4.8080   3.2916   10.877   3.2229   24.400   7.6940   36.429   5.8344 -12.02865 9.655999 
1 1 1   16   13    9 o   39.651   3.8482   12.572   2.3645   10.531   3.3329   14.640   3.3549   35.710   6.1705   42.531   5.1301 -6.820641 8.024557 
1 1 1   16   13   10 o   91.582   2.0823   66.025   2.9927   65.177   4.2156   66.887   4.2491   90.793   2.9627   91.982   2.9475 -1.188438 4.179110 
1 1 1   16   13   11 o   17.434   6.5700   1.8786   2.4486   1.7019   3.4489   2.0582   3.4770   19.094   7.6254   19.674   7.7193 -0.5793724 10.85056 
1 1 1   16   13   12 o   91.813   2.2622   66.469   3.2594   69.638   4.6123   63.308   4.6066   93.712   3.1407   89.299   3.2929 4.412712 4.550486 
1 1 1   16   13   13 o   47.441   3.9362   18.078   2.9041   20.139   4.1527   16.106   4.0630   49.597   5.4237   44.072   6.0328 5.525101 8.112378 
1 1 1   16   13   14 o   66.819   2.9948   35.495   3.1323   35.639   4.3987   35.346   4.4616   66.525   4.2354   66.218   4.3170 0.3075180 6.047714 
1 1 1   16   13   15 o   18.917   6.8650   2.6007   2.6291   5.6654   3.8406  -0.1022   3.6067   25.700   8.3330   16.825   7.3181 8.874331 11.09021 
1 1 1   16   13   16 o   48.203   3.6023   18.704   2.7052   14.252   3.8136   23.213   3.8380   41.055   6.1046   53.309   4.6338 -12.25335 7.664124 
1 1 1   16   13   17 o   33.559   4.7651   9.3531   2.4390   6.7366   3.4700   11.908   3.4290   27.413   7.7326   37.368   6.0544 -9.954376 9.820838 
1 1 1   16   13   18 f   50.928   3.2564   20.864   2.5889   20.673   3.6748   21.052   3.6478   50.019   4.7382   50.523   4.6530 -0.5048256 6.640807 
1 1 1   16   13   19 o   37.685   4.2415   11.740   2.4649   13.950   3.5017   9.5704   3.4701   40.353   5.6872   32.611   6.9908 7.742313 9.011956 
1 1 1   16   13   20 o   21.514   6.4428   4.1636   2.3451   2.1081   3.3171   6.2176   3.3158   18.407   7.4340   25.659   7.6557 -7.251268 10.67122 
1 1 1   16   13   21 o   15.138   6.2448   1.1628   2.4021   3.8167   3.2827  -1.8962   3.5244   20.610   7.6391   14.050   6.5465 6.559560 10.06044 
1 1 1   16   13   22 o   19.890   6.5031   3.7576   2.3365   3.0972   3.4379   4.3244   3.1853   19.105   7.6187   20.994   7.5648 -1.888449 10.73643 
1 1 1   16   13   23 o   17.002   6.3025   2.5729   2.2345   3.4393   3.1689   1.7160   3.1514   19.069   7.4016   16.545   7.0104 2.524004 10.19464 
1 1 1   16   13   24 o   12.155   5.4728  -0.2530   2.1950  -0.1055   3.1339  -0.3951   3.0755   14.229   6.4599   13.840   6.3280 0.3886213 9.042913 
1 1 1   16   13   25 o   9.6949   4.6773  -2.3883   2.1334  -2.8253   3.0303  -1.9587   3.0041   11.536   5.5679   12.098   5.7592 -0.5612459 8.010594 
1 1 1   16   13   26 o   13.366   5.7728   1.1340   2.2127   3.6194   3.0166  -1.7609   3.2556   17.492   7.0802   12.182   5.8520 5.309494 9.185622 
1 1 1   16   14    0 o  144.424   2.4405  164.061   5.5276  164.061   5.5276  164.061   5.5276  144.424   2.4405  144.424   2.4405 0.000000 0.000000 
1 1 1   16   14    1 o   68.778   2.4647   37.283   2.6559   36.468   3.7148   38.134   3.7985   67.867   3.4997   69.404   3.4989 -1.537094 4.948760 
1 1 1   16   14    2 o   48.786   3.1909   18.855   2.4296   19.170   3.4870   18.558   3.3870   48.946   4.5933   48.164   4.5345 0.7823448 6.454508 
1 1 1   16   14    3 o   63.265   2.6371   31.579   2.6125   32.443   3.7072   30.726   3.6821   63.958   3.7095   62.222   3.7889 1.735695 5.302473 
1 1 1   16   14    4 o   89.370   2.1023   62.826   2.9485   62.272   4.1254   63.405   4.2158   88.818   2.9639   89.617   3.0019 -0.7985306 4.218549 
1 1 1   16   14    5 o  105.591   1.9256   87.675   3.1908   86.149   4.5110   89.202   4.5140  104.514   2.7528  106.361   2.7066 -1.846390 3.860487 
1 1 1   16   14    6 o  106.467   2.0438   89.171   3.4148   95.745   4.9485   83.195   4.7183  110.149   2.8652  102.657   2.9318 7.491417 4.099372 
1 1 1   16   14    7 o   50.035   3.2956   19.868   2.5733   19.621   3.4953   20.160   3.8024   49.468   4.5535   50.065   4.9025 -0.5971413 6.690906 
1 1 1   16   14    8 o   39.412   4.1393   12.469   2.5220   15.503   3.7652   9.9991   3.3965   43.620   5.6318   34.662   6.4824 8.958271 8.587088 
1 1 1   16   14    9 o   23.860   6.1519   4.7723   2.3183   5.4198   3.2509   4.1024   3.3068   25.476   7.5754   22.929   7.7437 2.547068 10.83286 
1 1 1   16   14   10 o   48.911   3.5785   19.083   2.7277   23.132   3.8833   15.139   3.8323   53.589   4.6641   42.921   5.8410 10.66810 7.474696 
1 1 1   16   14   11 o  110.323   2.1065   95.926   3.6470   89.740   5.1142  102.326   5.2022  106.401   3.0660  113.677   2.9185 -7.276108 4.233004 
1 1 1   16   14   12 o   47.880   3.5989   18.349   2.6843   20.078   3.8314   16.682   3.7619   49.665   4.9832   45.074   5.4274 4.590649 7.368100 
1 1 1   16   14   13 o   78.397   2.3394   48.603   2.8750   48.998   4.0922   48.219   4.0399   78.403   3.3336   77.782   3.3173 0.6210709 4.702873 
1 1 1   16   14   14 o   38.716   4.1802   12.181   2.4996   15.812   3.5333   8.5445   3.5365   43.767   5.2489   31.261   7.3358 12.50608 9.020294 
1 1 1   16   14   15 o   46.848   3.5613   17.662   2.5986   21.227   3.6759   14.100   3.6741   50.958   4.6478   40.934   5.8888 10.02348 7.502025 
1 1 1   16   14   16 o   15.369   6.4111   0.7019   2.5716  -2.4860   3.6337   3.9007   3.6400   14.450   6.7036   22.230   8.0761 -7.780650 10.49583 
1 1 1   16   14   17 o   21.643   6.7817   4.0439   2.5612   2.0224   3.5937   6.1307   3.6512   19.169   7.7391   26.057   8.0868 -6.887712 11.19326 
1 1 1   16   14   18 o   35.461   4.8881   10.568   2.6479   11.218   3.7877   9.9463   3.7032   35.368   7.0717   33.108   7.3220 2.259953 10.17941 
1 1 1   16   14   19 o   12.550   5.7149  -1.0798   2.4756  -0.5825   3.5040  -1.5753   3.4981   15.546   6.9640   14.594   6.7009 0.9522963 9.664318 
1 1 1   16   14   20 o   20.226   6.6938   3.7157   2.4727   8.1878   3.4447  -1.0384   3.5516   29.068   7.5011   14.920   6.8136 14.14809 10.13369 
1 1 1   16   14   21 f   22.605   6.9810   4.9973   2.7248   2.2024   3.5464   9.0248   4.2572   18.107   7.5390   28.841   8.6907 -10.73408 11.50498 
1 1 1   16   14   22 o   26.397   6.6667   6.9082   2.7619   11.172   3.9628   2.8805   3.8513   32.543   7.8508   18.810   7.8460 13.73328 11.09931 
1 1 1   16   14   23 o   16.039   6.3944   2.0505   2.4211   1.6564   3.4196   2.4467   3.4283   16.611   7.1756   17.596   7.3755 -0.9844666 10.29015 
1 1 1   16   14   24 o   11.145   5.2971  -1.9361   2.5203  -0.2732   3.5933  -3.5464   3.5359   14.632   6.7450   12.200   5.9182 2.432571 8.973300 
1 1 1   16   14   25 o   13.979   6.0765   1.1512   2.4837   4.7205   3.5529  -2.2606   3.4736   19.380   7.7394   12.429   5.9893 6.950728 9.786248 
1 1 1   16   14   26 o   14.064   6.1028   1.6114   2.4962   1.9536   3.5190   1.2648   3.5414   15.139   6.8620   14.529   6.6970 0.6097221 9.588387 
1 1 1   16   15    0 f   10.676   7.1144  -0.9509   3.2280  -0.9509   3.2280  -0.9509   3.2280   10.676   7.1144   10.676   7.1144 0.000000 0.000000 
1 1 1   16   15    1 o   47.881   3.2224   18.183   2.4072   19.587   3.3867   16.749   3.4223   49.482   4.4074   45.631   4.8536 3.851391 6.556110 
1 1 1   16   15    2 o   44.751   3.4936   15.926   2.4341   13.369   3.3921   18.640   3.4948   40.562   5.4682   48.199   4.6792 -7.636734 7.196988 
1 1 1   16   15    3 o   43.123   3.6037   14.811   2.4164   19.309   3.4737   10.592   3.3636   49.083   4.5620   35.832   6.2065 13.25138 7.702767 
1 1 1   16   15    4 o   15.857   6.2760   1.1540   2.3162  -1.2040   3.3041   3.4325   3.2479   15.216   6.7930   21.714   7.6586 -6.498647 10.23714 
1 1 1   16   15    5 o   17.571   6.6128   1.8877   2.4788   3.1609   3.5342   0.6550   3.4775   21.613   7.9412   17.800   7.4425 3.812571 10.88367 
1 1 1   16   15    6 o   22.003   6.6915   3.9572   2.5157   4.0816   3.5777   3.8356   3.5382   23.214   8.0486   22.738   7.9958 0.4766083 11.34514 
1 1 1   16   15    7 o   41.807   4.5634   14.098   2.9453   15.734   4.0891   12.334   4.2460   43.747   6.1239   38.262   7.3383 5.485107 9.557870 
1 1 1   16   15    8 f   54.074   3.8160   23.345   3.2174   25.009   4.5957   21.745   4.5059   55.534   5.3391   51.648   5.6515 3.885765 7.774650 
1 1 1   16   15    9 o   66.436   2.7361   34.938   2.8465   31.560   4.1137   38.042   3.9429   62.760   4.2010   69.099   3.6491 -6.338268 5.564512 
1 1 1   16   15   10 f   38.611   4.0759   12.029   2.4325   12.827   3.4513   11.241   3.4289   39.375   5.7554   36.672   6.1776 2.703411 8.443170 
1 1 1   16   15   11 o   48.554   3.5604   18.871   2.6940   18.448   3.6803   19.361   3.9543   47.549   5.0072   48.626   5.2658 -1.077389 7.266435 
1 1 1   16   15   12 o   20.525   6.8299   3.3922   2.5734   1.7640   3.6574   4.9887   3.6216   19.304   7.8025   24.451   8.1013 -5.146791 11.24769 
1 1 1   16   15   13 o   98.149   2.2363   76.137   3.4446   77.726   4.8214   74.481   4.9229   98.787   3.1139   96.637   3.2508 2.150070 4.501552 
1 1 1   16   15   14 o   41.796   4.2039   14.225   2.7199   10.661   3.7834   18.037   3.9130   34.934   7.1425   46.572   5.4573 -11.63822 8.988730 
1 1 1   16   15   15 o   34.504   5.1037   9.9521   2.6802   11.657   3.7845   8.2362   3.7964   36.582   6.8436   30.199   7.9159 6.383335 10.46405 
1 1 1   16   15   16 o   48.389   3.6900   18.967   2.7809   21.092   3.9713   16.922   3.8954   50.353   5.0959   44.749   5.6743 5.603458 7.626657 
1 1 1   16   15   17 o   17.976   6.7278   2.3477   2.5582  -0.6985   3.5568   5.6120   3.6820   15.715   7.0297   24.870   8.1654 -9.154266 10.77452 
1 1 1   16   15   18 o   25.443   6.4714   5.8387   2.5895   3.3623   3.6297   8.4055   3.6954   20.779   7.9592   29.870   7.8002 -9.091845 11.14414 
1 1 1   16   15   19 o   15.235   6.5009   0.6922   2.7432   1.0839   3.8403   0.2841   3.9199   17.652   7.6145   16.932   7.4879 0.7198105 10.67937 
1 1 1   16   15   20 o   22.348   7.0503   4.8450   2.7636   7.6118   3.9632   2.2262   3.8557   26.849   8.4392   18.583   7.8076 8.265615 11.49693 
1 1 1   16   15   21 o   14.838   6.5115   0.5318   2.9113   3.3025   3.8485  -3.1751   4.4515   19.454   7.9514   14.469   6.9217 4.985389 10.54204 
1 1 1   16   15   22 o   15.400   6.5697   1.2898   2.8003   0.3529   3.8088   2.3919   4.1312   15.803   7.1535   18.178   7.8697 -2.375266 10.63506 
1 1 1   16   15   23 o   13.384   5.8622   0.4810   2.3496   2.0245   3.4772  -0.8159   3.1874   16.914   7.2704   13.572   6.2903 3.341772 9.613880 
1 1 1   16   15   24 o   22.952   6.1880   5.4891   2.2792   7.8800   3.2705   3.2313   3.1781   25.943   7.5677   17.729   7.2336 8.213215 10.46876 
1 1 1   16   15   25 o   11.431   5.2745  -0.3112   2.2046  -3.1615   3.1438   2.4465   3.0923   11.040   5.4049   15.720   6.8070 -4.679384 8.691812 
1 1 1   16   16    0 o   47.475   7.2554   19.173   5.0312   19.173   5.0312   19.173   5.0312   47.475   7.2554   47.475   7.2554 0.000000 0.000000 
1 1 1   16   16    1 o   70.086   3.1081   38.889   3.4100   37.834   4.7875   39.976   4.8584   68.803   4.4580   70.749   4.3976 -1.945862 6.261963 
1 1 1   16   16    2 o   66.405   3.2125   34.945   3.3378   41.210   4.7107   28.628   4.7300   71.885   4.1941   59.623   5.1043 12.26170 6.606328 
1 1 1   16   16    3 o   79.841   2.9134   50.409   3.6442   54.757   5.2029   46.222   5.1058   82.935   4.0095   76.100   4.2927 6.835175 5.873946 
1 1 1   16   16    4 o   44.013   4.8555   15.662   3.2980   18.366   4.2227   11.432   5.2809   47.426   5.7940   36.273   9.2499 11.15305 10.91468 
1 1 1   16   16    5 o   50.657   3.6767   20.468   2.9029   19.373   4.0695   21.604   4.1423   48.815   5.4025   51.648   5.1805 -2.833103 7.484959 
1 1 1   16   16    6 o   25.377   6.8419   5.4447   2.7864   6.2132   3.9841   4.7088   3.8984   27.194   8.4486   24.492   8.4054 2.702042 11.91759 
1 1 1   16   16    7 f   84.087   2.7835   55.955   3.6680   58.889   5.2347   53.124   5.1414   85.922   3.8923   81.551   4.0298 4.370781 5.602654 
1 1 1   16   16    8 o   32.954   5.9760   9.0830   2.9767   8.5729   4.0458   9.6851   4.3954   31.398   8.1431   33.295   8.4108 -1.897585 11.70690 
1 1 1   16   16    9 o   63.819   3.1994   32.411   3.1940   27.457   4.4806   37.530   4.5544   58.147   4.9574   68.324   4.2690 -10.17607 6.542203 
1 1 1   16   16   10 o   20.021   6.9698   3.0838   2.6843  -0.8941   3.8994   6.6664   3.7006   16.711   7.4250   27.665   8.0442 -10.95415 10.94714 
1 1 1   16   16   11 o   20.080   6.9012   3.1692   2.6283  -0.1490   3.7855   6.2575   3.6520   17.178   7.4839   26.784   8.0444 -9.606598 10.98737 
1 1 1   16   16   12 o   92.123   2.3338   67.182   3.3712   62.365   4.7528   72.059   4.7826   88.304   3.4363   95.041   3.2112 -6.736954 4.703212 
1 1 1   16   16   13 o   26.471   6.3248   6.0748   2.5914   6.9593   3.6818   5.2064   3.6479   27.898   7.9972   24.596   8.1299 3.301756 11.40397 
1 1 1   16   16   14 o   53.223   3.4308   22.791   2.8502   21.950   4.0761   23.596   3.9870   51.460   5.1151   53.539   4.7961 -2.079418 7.011900 
1 1 1   16   16   15 o   26.493   6.4698   6.1828   2.6662   5.1076   3.8566   7.1672   3.6901   24.238   8.3586   28.004   7.9994 -3.765736 11.56963 
1 1 1   16   16   16 o   14.551   6.3253   0.0253   2.6913  -3.9563   3.9725   3.4031   3.6590   13.975   6.6444   21.104   8.0135 -7.129056 10.40982 
1 1 1   16   16   17 o   19.363   7.0696   3.0140   2.7941   1.7695   3.9721   4.2330   3.9311   19.028   7.9548   22.370   8.3464 -3.342348 11.53001 
1 1 1   16   16   18 o   12.983   5.9397  -1.1598   2.7147  -5.1178   3.8989   2.5649   3.7822   12.822   6.2189   19.433   7.9052 -6.610598 10.05821 
1 1 1   16   16   19 o   10.223   4.9835  -3.9290   2.5906  -8.0352   3.5659   0.6601   3.7698   10.541   5.2635   16.756   7.3795 -6.215482 9.064263 
1 1 1   16   16   20 o   11.458   5.3835  -1.7439   2.4679   1.1827   3.5655  -4.4357   3.4195   16.660   7.2607   11.802   5.7470 4.857350 9.259868 
1 1 1   16   16   21 o   20.608   6.7787   4.2959   2.5371   4.4189   3.5295   4.1645   3.6496   20.580   7.8572   20.203   7.9140 0.3775902 11.15198 
1 1 1   16   16   22 o   10.541   5.0585  -2.4335   2.4184  -1.1661   3.5222  -3.5640   3.3265   13.900   6.4990   11.856   5.7490 2.043790 8.676810 
1 1 1   16   16   23 o   14.633   6.1802   1.3969   2.4362   1.8741   3.4802   0.9384   3.4113   16.400   7.1600   15.326   6.8679 1.073884 9.921354 
1 1 1   16   16   24 o   11.678   5.4667  -0.7596   2.5046   1.2373   3.4464  -2.9948   3.6462   14.873   6.7609   12.083   5.8949 2.789937 8.969916 
1 1 1   16   16   25 o   12.851   5.8637   0.5949   2.6234  -0.0205   3.7719   1.1715   3.6510   13.577   6.4605   14.356   6.6804 -0.7793560 9.293324 
1 1 1   16   17    0 o   15.498   8.9351   2.5103   3.4967   2.5103   3.4967   2.5103   3.4967   15.498   8.9351   15.498   8.9351 0.000000 0.000000 
1 1 1   16   17    1 o   39.121   4.3122   12.350   2.6035   7.0037   3.6664   17.787   3.6977   28.613   7.9039   46.803   5.1177 -18.19005 9.416019 
1 1 1   16   17    2 o   63.459   3.0656   31.943   3.0439   28.595   4.3708   35.097   4.2417   59.588   4.7124   66.249   4.1000 -6.661247 6.246300 
1 1 1   16   17    3 o   43.512   4.2018   15.236   2.8335   14.504   4.1807   15.858   3.8537   41.695   6.6095   43.948   5.7235 -2.252541 8.743217 
1 1 1   16   17    4 o   54.262   3.6266   23.501   3.0705   16.464   4.1397   32.107   4.5779   44.647   6.0651   63.140   4.6528 -18.49329 7.644235 
1 1 1   16   17    5 o   19.413   6.9467   2.7297   2.6808   0.2544   3.9589   4.8262   3.6433   18.170   7.7830   24.385   8.1269 -6.214508 11.25263 
1 1 1   16   17    6 o   47.624   3.6431   18.156   2.7021   16.978   3.8654   19.282   3.7788   45.459   5.5321   48.668   5.0196 -3.208935 7.469964 
1 1 1   16   17    7 o   15.302   6.4581   0.3843   2.6571  -6.0670   3.9712   5.6130   3.5752   13.021   6.3062   25.700   8.0063 -12.67836 10.19163 
1 1 1   16   17    8 o   67.585   2.8296   36.264   2.9945   36.055   4.1164   36.500   4.3642   67.027   3.9307   67.355   4.1489 -0.3286057 5.715263 
1 1 1   16   17    9 o   23.436   6.5380   4.7008   2.4952   1.9089   3.5374   7.4654   3.5201   19.271   7.7137   29.183   7.6092 -9.911877 10.83513 
1 1 1   16   17   10 o   57.126   3.0905   26.038   2.7603   24.758   3.8867   27.341   3.9207   55.178   4.5285   58.085   4.3325 -2.907787 6.267151 
1 1 1   16   17   11 f   10.613   5.1147  -3.6328   2.5351  -5.4278   3.7504  -2.1227   3.4399   12.738   6.1591   14.348   6.6089 -1.610551 9.033938 
1 1 1   16   17   12 o   22.791   6.9751   4.4835   2.7278   4.0027   3.9002   4.9439   3.8165   22.677   8.3406   24.166   8.3158 -1.488379 11.77788 
1 1 1   16   17   13 o   69.504   3.0262   38.631   3.2929   35.507   4.4724   42.331   4.8662   65.973   4.3440   72.070   4.3224 -6.096886 6.128088 
1 1 1   16   17   14 o   41.619   4.4051   14.273   2.8335   13.805   4.0695   14.712   3.9477   39.700   6.7749   41.293   6.2905 -1.593102 9.244975 
1 1 1   16   17   15 o   20.663   6.8854   3.6624   2.6152   3.0785   3.6290   4.2932   3.7721   20.535   7.9343   22.575   8.2184 -2.040321 11.42349 
1 1 1   16   17   16 o   18.654   6.7274   2.8018   2.5198   1.7391   3.5986   3.8240   3.5295   18.408   7.6233   21.401   7.9232 -2.992643 10.99506 
1 1 1   16   17   17 o   10.487   5.0488  -3.1571   2.4549  -0.6548   3.5130  -5.5453   3.4319   15.289   6.9002   11.530   5.6452 3.758930 8.915164 
1 1 1   16   17   18 o   13.433   6.0351  -0.4348   2.6529  -5.1561   3.4580   6.3188   4.1358   11.652   5.6966   24.616   8.6457 -12.96443 10.35366 
1 1 1   16   17   19 o   11.408   5.3509  -1.6695   2.4202  -0.8830   3.4493  -2.4322   3.3967   14.424   6.6342   13.067   6.1926 1.356581 9.075325 
1 1 1   16   17   20 o   22.933   6.5237   5.2727   2.4593   6.7059   3.5200   3.9061   3.4373   24.564   7.9785   19.793   7.7014 4.771328 11.08914 
1 1 1   16   17   21 o   8.3096   4.1851  -6.7542   2.5037  -2.8599   3.3941 -11.4029   3.7082   12.442   5.9764   9.4228   4.7847 3.019590 7.655764 
1 1 1   16   17   22 o   19.860   6.5375   4.1277   2.3596   0.3925   3.3444   7.8301   3.3297   14.774   6.6937   26.194   7.6344 -11.42087 10.15329 
1 1 1   16   17   23 o   14.485   6.0365   1.6997   2.2766   1.3957   3.2152   2.0052   3.2241   15.019   6.7035   15.704   6.8730 -0.6846552 9.600733 
1 1 1   16   17   24 o   14.676   6.1137   2.1440   2.3338   0.6790   3.3692   3.4953   3.2358   13.808   6.4225   16.683   7.0877 -2.875123 9.564732 
1 1 1   16   18    0 o   64.216   4.1390   33.060   4.1307   33.060   4.1307   33.060   4.1307   64.216   4.1390   64.216   4.1390 0.000000 0.000000 
1 1 1   16   18    1 o   47.837   3.6518   18.324   2.7207   16.792   3.8498   19.853   3.8456   45.189   5.5448   49.373   5.0336 -4.184292 7.488731 
1 1 1   16   18    2 o   31.530   5.4264   8.2657   2.5882   9.4841   3.6294   7.0050   3.6919   33.243   7.1683   28.420   7.9617 4.822601 10.71324 
1 1 1   16   18    3 o   12.577   5.7196  -1.3390   2.4695  -2.5063   3.4903  -0.1689   3.4944   14.285   6.6073   16.613   7.2146 -2.327417 9.782969 
1 1 1   16   18    4 o   18.801   7.0692   2.3224   2.8313  -2.8107   4.1811   6.6696   3.8477   15.683   7.2459   27.723   8.2409 -12.04025 10.97336 
1 1 1   16   18    5 o   81.214   2.5046   52.211   3.1883   53.868   4.4225   50.418   4.6007   82.178   3.4369   79.394   3.7028 2.784019 5.052058 
1 1 1   16   18    6 o   18.844   6.7222   2.6302   2.5084   4.6812   3.5984   0.6915   3.4985   23.872   8.0778   17.580   7.4145 6.292332 10.96476 
1 1 1   16   18    7 o   71.213   2.8697   40.313   3.2004   46.600   4.9363   35.754   4.2036   76.049   4.1520   66.634   4.0389 9.414719 5.792403 
1 1 1   16   18    8 o   49.362   4.2077   19.753   3.2284   18.985   4.5914   20.504   4.5404   47.457   6.3222   49.527   5.9615 -2.070599 8.689631 
1 1 1   16   18    9 o   57.766   3.6240   26.828   3.2687   25.376   4.7136   28.174   4.5367   55.319   5.5025   58.590   4.9813 -3.271114 7.422341 
1 1 1   16   18   10 o   33.637   6.0731   9.6700   3.0878   9.6326   4.3946   9.7065   4.3395   32.486   8.5174   32.654   8.4155 -0.1677856 11.97358 
1 1 1   16   18   11 o   36.050   5.7704   11.035   3.1545   8.8334   4.7693   12.748   4.2058   30.766   9.1820   37.996   7.3191 -7.229322 11.74217 
1 1 1   16   18   12 o   45.151   4.1642   16.671   2.9173   15.577   4.1462   17.743   4.1055   42.496   6.4170   45.727   5.8554 -3.231869 8.686952 
1 1 1   16   18   13 f   46.087   3.7741   17.283   2.7057   15.915   3.7926   18.702   3.8612   43.232   5.7313   47.161   5.3094 -3.928745 7.812603 
1 1 1   16   18   14 o   18.001   6.7610   2.3772   2.5883   1.7178   3.6868   3.0180   3.6347   18.640   7.7174   20.380   7.9224 -1.740404 11.05996 
1 1 1   16   18   15 o   26.312   6.2516   6.2209   2.5430   6.1012   3.6650   6.3321   3.5313   25.376   8.1324   25.853   7.9407 -0.4766769 11.36622 
1 1 1   16   18   16 o   31.790   5.3595   8.8548   2.5788   10.503   3.6912   7.2836   3.6043   33.325   7.2637   27.197   7.9476 6.128523 10.76686 
1 1 1   16   18   17 o   32.760   5.2405   9.5027   2.6034   4.9721   3.6472   14.210   3.7175   22.428   8.0930   39.328   6.2308 -16.89974 10.21367 
1 1 1   16   18   18 o   21.975   7.4959   4.9240   3.0993   2.7867   4.1903   7.5055   4.6052   19.144   8.0965   25.459   9.1053 -6.315046 12.18439 
1 1 1   16   18   19 f   13.271   5.9550  -0.0987   2.5742   0.5091   3.5160  -0.8008   3.7792   15.578   6.9773   14.799   6.8556 0.7789869 9.781687 
1 1 1   16   18   20 o   15.053   6.3831   1.3367   2.6158   1.2521   3.7379   1.4178   3.6620   16.385   7.2755   16.471   7.2627 -0.8615112E-01 10.28011 
1 1 1   16   18   21 o   14.143   6.2650   0.6133   2.7555   3.2742   3.7375  -2.5556   4.0786   18.355   7.6978   13.650   6.5552 4.704871 10.11070 
1 1 1   16   18   22 o   13.444   6.0000   0.6017   2.5754   1.4331   3.6482  -0.2242   3.6363   15.583   7.0325   14.137   6.6077 1.446211 9.649767 
1 1 1   16   18   23 o   16.892   6.6057   3.4050   2.5391   1.5426   3.6045   5.2394   3.5772   14.837   6.8086   18.952   7.6960 -4.115596 10.27551 
1 1 1   16   19    0 f   61.278   4.3065   30.258   4.0934   30.258   4.0934   30.258   4.0934   61.278   4.3065   61.278   4.3065 0.000000 0.000000 
1 1 1   16   19    1 o   15.295   6.4177   0.5193   2.5997  -2.1694   3.6561   3.2686   3.6972   14.920   6.8505   21.559   8.0840 -6.639137 10.59626 
1 1 1   16   19    2 o   19.501   6.9145   2.8726   2.6503   3.9367   3.7801   1.8438   3.7168   22.714   8.2332   19.480   7.8684 3.234604 11.38850 
1 1 1   16   19    3 o   30.963   6.2354   8.1771   2.9249   9.7592   4.0583   6.4671   4.2192   33.243   7.8971   27.239   8.7252 6.003393 11.76830 
1 1 1   16   19    4 o   48.397   4.3468   19.019   3.2662   22.407   4.8073   16.114   4.4515   51.803   6.0258   43.502   6.7383 8.300888 9.039630 
1 1 1   16   19    5 o   17.910   7.0742   1.7684   2.9373   5.6785   4.2532  -1.7969   4.0614   25.827   8.7816   16.118   7.3318 9.708845 11.43992 
1 1 1   16   19    6 o   40.856   4.6497   13.697   2.9282   14.250   4.1818   13.164   4.1016   40.741   6.7788   39.043   6.9489 1.697983 9.707742 
1 1 1   16   19    7 o   38.341   5.3754   12.281   3.1456   14.451   4.7146   10.540   4.2230   40.469   7.7049   34.295   7.9947 6.174480 11.10320 
1 1 1   16   19    8 o   21.578   7.3128   3.8550   2.9492  -1.6451   4.1896   9.2571   4.1521   16.414   7.4587   31.929   8.2335 -15.51465 11.10956 
1 1 1   16   19    9 o   30.319   6.3288   7.9830   2.9138   11.082   4.2495   5.2326   4.0030   35.043   7.9150   24.654   8.5152 10.38820 11.62562 
1 1 1   16   19   10 o   18.142   7.0947   2.0501   2.9290  -0.4674   4.1407   4.5713   4.1438   17.266   7.6626   23.563   8.6083 -6.296711 11.52470 
1 1 1   16   19   11 o   18.376   7.4095   1.8608   3.2895   3.0137   4.9777   0.9670   4.3829   22.173   9.0504   19.075   8.1802 3.097937 12.19937 
1 1 1   16   19   12 o   22.019   7.4041   4.2212   3.0232   5.6562   4.2018   2.6809   4.3531   25.010   8.7193   20.866   8.4836 4.143440 12.16543 
1 1 1   16   19   13 o   39.019   5.3124   12.993   3.1685   11.996   4.4972   13.976   4.4649   35.577   8.2203   38.984   7.5714 -3.406898 11.17581 
1 1 1   16   19   14 o   17.546   7.1654   1.7440   3.1220   1.3096   4.2360   2.2604   4.6191   18.697   8.0305   20.235   8.5262 -1.537407 11.71258 
1 1 1   16   19   15 o   20.371   7.6597   3.6121   3.3241   0.9845   4.7553   6.1231   4.6486   18.694   8.2580   24.624   9.0971 -5.929842 12.28630 
1 1 1   16   19   16 o   39.249   5.2216   13.610   3.1365   19.020   4.6890   9.2288   4.2194   44.770   6.8951   29.335   8.6064 15.43420 11.02778 
1 1 1   16   19   17 o   19.463   7.3345   3.5856   3.0517  -0.2329   4.4815   6.8870   4.1670   16.529   7.5876   24.702   8.6780 -8.173479 11.52733 
1 1 1   16   19   18 f   15.216   6.5505   1.1173   2.8311   2.1519   4.0396   0.1186   3.9688   17.846   7.7536   15.813   7.2141 2.033101 10.59061 
1 1 1   16   19   19 o   12.426   5.7298  -0.7889   2.5960   5.8758   3.7562  -6.8832   3.5919   22.404   8.1942   10.714   5.3394 11.69011 9.780294 
1 1 1   16   19   20 o   21.451   6.8244   4.9431   2.5845   2.8912   3.6426   7.0234   3.6677   17.824   7.5439   24.044   8.1551 -6.220053 11.10927 
1 1 1   16   19   21 o   13.714   6.1255   0.6492   2.6902  -1.4927   3.7921   2.8192   3.8170   13.484   6.4335   17.166   7.4963 -3.682056 9.878430 
1 1 1   16   19   22 o   16.424   6.4385   3.0830   2.4170   2.6590   3.5086   3.4659   3.3344   15.929   7.0623   16.835   7.1751 -0.9058046 10.06769 
1 1 1   16   20    0 o   10.475   7.2701  -3.2196   4.1747  -3.2196   4.1747  -3.2196   4.1747   10.475   7.2701   10.475   7.2701 0.000000 0.000000 
1 1 1   16   20    1 o   14.097   6.2617  -0.6624   2.7712   0.9450   3.8577  -2.3762   3.9834   18.435   7.7812   15.404   7.1011 3.031754 10.53435 
1 1 1   16   20    2 o   17.033   6.8907   1.3523   2.8554  -2.1123   4.0728   4.7014   4.0043   15.812   7.2494   23.948   8.4985 -8.135186 11.17038 
1 1 1   16   20    3 o   14.526   6.3412  -0.2086   2.7291  -0.5152   3.8046   0.1164   3.9167   16.688   7.3786   17.582   7.6368 -0.8937759 10.61903 
1 1 1   16   20    4 o   11.944   5.5896  -2.2862   2.6155  -0.3312   3.8244  -4.0040   3.5848   16.899   7.4378   13.204   6.2874 3.694975 9.739236 
1 1 1   16   20    5 o   18.411   6.7968   2.4436   2.5941   3.1128   3.6565   1.7655   3.6809   20.986   8.0008   19.078   7.7845 1.907518 11.16294 
1 1 1   16   20    6 o   36.739   4.7596   11.188   2.6797   11.654   3.8394   10.745   3.7419   36.481   6.9602   34.941   7.0673 1.540421 9.919169 
1 1 1   16   20    7 o   59.300   3.2318   28.227   2.9961   24.863   4.2414   31.578   4.2330   54.796   4.9868   62.167   4.3667 -7.371082 6.628443 
1 1 1   16   20    8 o   21.777   6.9298   4.1009   2.6649   1.9212   3.7307   6.3717   3.8079   19.214   7.8380   26.452   8.2661 -7.238859 11.39135 
1 1 1   16   20    9 o   16.029   6.5478   1.1563   2.6078   0.5025   3.6920   1.8074   3.6841   17.330   7.4707   18.922   7.7621 -1.592234 10.77318 
1 1 1   16   20   10 o   18.690   6.8832   2.6631   2.6577   6.3187   3.7419  -1.0584   3.7755   26.130   8.1985   15.812   7.1433 10.31766 10.87390 
1 1 1   16   20   11 o   19.063   7.2497   2.6985   2.9975   5.6925   4.1805  -0.4694   4.3001   24.859   8.6951   17.260   7.7244 7.599108 11.63064 
1 1 1   16   20   12 f   28.494   6.0595   7.2320   2.6260   5.9355   3.6647   8.6004   3.7649   25.032   8.1416   30.026   7.8890 -4.993559 11.33677 
1 1 1   16   20   13 o   21.291   6.8748   4.1439   2.6158   1.3672   3.6627   7.0342   3.7369   17.756   7.5421   26.717   8.1615 -8.960842 11.11276 
1 1 1   16   20   14 o   21.877   6.8489   4.5456   2.6129   8.9429   3.7391   0.3492   3.6527   29.834   7.8730   16.305   7.2186 13.52924 10.68141 
1 1 1   16   20   15 o   22.951   6.7914   5.1563   2.6180   6.6344   3.7431   3.7407   3.6630   24.975   8.2345   20.226   7.9269 4.748884 11.42992 
1 1 1   16   20   16 o   19.458   6.8128   3.6839   2.5669   5.8706   3.6704   1.5907   3.5911   23.173   8.1442   16.995   7.3473 6.178133 10.96861 
1 1 1   16   20   17 o   20.818   6.7887   4.4480   2.5470   5.3642   3.6238   3.5534   3.5807   21.905   8.0425   19.153   7.7279 2.751993 11.15352 
1 1 1   16   20   18 o   12.538   5.7082  -0.3921   2.4684   1.4586   3.5427  -2.1383   3.4411   16.291   7.1648   12.964   6.1693 3.327221 9.454894 
1 1 1   16   20   19 o   12.789   5.8263  -0.2604   2.5772   1.7244   3.6870  -2.1565   3.6038   16.479   7.2760   13.092   6.2533 3.387790 9.593972 
1 1 1   16   20   20 o   10.273   4.9942  -2.8681   2.5543  -1.1273   3.5953  -4.6423   3.6296   13.437   6.3688   11.432   5.6380 2.005028 8.505801 
1 1 1   16   20   21 o   15.074   6.9036   1.6964   3.6811   4.6708   5.1215  -1.4825   5.2946   17.739   8.1314   14.301   7.0039 3.438066 10.73195 
1 1 1   16   21    0 o   22.869   10.020   6.3157   3.7495   6.3157   3.7495   6.3157   3.7495   22.869   10.020   22.869   10.020 0.000000 0.000000 
1 1 1   16   21    1 o   31.937   5.5408   8.6723   2.6763   9.4883   3.8722   7.9259   3.7032   32.404   7.7243   29.541   7.8537 2.863417 11.01572 
1 1 1   16   21    2 o   18.741   6.9393   2.5713   2.7076  -2.8128   3.8294   7.9533   3.8287   14.586   6.8056   29.500   8.0485 -14.91340 10.54012 
1 1 1   16   21    3 o   65.460   2.9810   34.280   3.0542   38.179   4.3207   30.386   4.3179   68.553   4.0341   60.844   4.5552 7.708958 6.084712 
1 1 1   16   21    4 o   24.861   6.7822   5.4823   2.7189   9.4442   3.8263   1.4419   3.8641   32.262   7.6705   18.818   7.8549 13.44436 10.97890 
1 1 1   16   21    5 o   46.078   3.9485   17.314   2.8277   19.512   4.0248   15.170   3.9735   48.168   5.4184   41.968   6.2214 6.200401 8.250119 
1 1 1   16   21    6 o   43.024   4.4202   15.274   2.9420   12.928   4.0276   17.957   4.3078   38.201   6.9753   45.692   6.1648 -7.490879 9.309129 
1 1 1   16   21    7 o   14.297   6.3877  -0.6720   2.9275  -2.6641   4.1028   1.3944   4.1786   15.177   7.0690   19.124   8.0865 -3.947000 10.74068 
1 1 1   16   21    8 o   37.091   5.4179   11.744   3.0606   11.977   4.3218   11.510   4.3349   35.951   7.8785   35.114   8.0402 0.8360443 11.25679 
1 1 1   16   21    9 o   16.563   6.8523   1.2322   2.9035  -0.1908   4.0787   2.6943   4.1342   17.092   7.5940   20.412   8.2791 -3.320375 11.23443 
1 1 1   16   21   10 o   14.275   6.3711  -0.4914   2.9043   0.0806   4.0648  -1.0879   4.1510   17.221   7.6199   16.301   7.4141 0.9194489 10.63160 
1 1 1   16   21   11 o   36.652   6.6197   12.212   3.6674   21.087   5.2284   3.6154   5.1455   47.831   7.1875   22.076   9.1264 25.75591 11.61685 
1 1 1   16   21   12 o   16.366   6.5966   1.6959   2.6063   1.0329   3.6725   2.3685   3.6993   17.153   7.4229   18.812   7.7540 -1.659559 10.73422 
1 1 1   16   21   13 o   17.431   6.7406   2.4240   2.6208   2.4207   3.6676   2.4275   3.7465   18.545   7.6894   18.635   7.7531 -0.9067154E-01 10.91957 
1 1 1   16   21   14 f   13.929   6.1359   0.2470   2.6077  -1.5876   3.6647   2.1286   3.7114   14.208   6.6385   17.912   7.5994 -3.703541 10.09062 
1 1 1   16   21   15 o   10.981   5.2995  -3.0733   2.7434  -1.7264   3.9159  -4.3716   3.8447   14.335   6.7498   12.549   6.1068 1.786342 9.102337 
1 1 1   16   21   16 o   22.731   6.9745   5.4560   2.7251   3.9501   3.8739   6.9312   3.8343   19.642   7.9967   24.190   8.3347 -4.547922 11.55050 
1 1 1   16   21   17 o   14.516   6.3333   0.9142   2.7193  -1.6331   3.8016   3.5833   3.8914   13.881   6.5706   18.907   7.8867 -5.025833 10.26511 
1 1 1   16   21   18 o   10.999   5.2447  -1.9645   2.5124   2.2732   3.5277  -6.3267   3.5791   16.848   7.2831   10.769   5.3608 6.079294 9.043292 
1 1 1   16   21   19 o   13.165   5.8753   0.5449   2.4694  -2.0454   3.5036   3.1017   3.4809   12.600   6.0574   17.208   7.3324 -4.607918 9.510854 
1 1 1   16   21   20 o   12.594   5.7108   0.4825   2.4399   2.2268   3.4429  -1.2775   3.4583   15.371   6.8928   12.532   6.0229 2.838705 9.153441 
1 1 1   16   21   21 o   11.701   5.4748  -0.1942   2.5074   0.9714   3.5751  -1.3226   3.5176   13.833   6.4932   12.224   5.9236 1.608941 8.789284 
1 1 1   16   22    0 o   20.012   10.054   5.1595   3.8811   5.1595   3.8811   5.1595   3.8811   20.012   10.054   20.012   10.054 0.000000 0.000000 
1 1 1   16   22    1 o   15.824   6.5640   0.9606   2.6742   3.3221   3.8194  -1.3104   3.7455   21.153   8.1486   15.533   7.0560 5.620478 10.77901 
1 1 1   16   22    2 o   57.938   3.2963   27.077   2.9847   25.795   4.2548   28.318   4.1881   55.626   4.9249   58.517   4.5975 -2.890511 6.737383 
1 1 1   16   22    3 o   25.855   6.8722   6.0288   2.8359   6.0159   4.1199   6.0404   3.9095   25.571   8.6433   25.595   8.4144 -0.2419090E-01 12.06269 
1 1 1   16   22    4 o   33.495   5.4815   9.6272   2.7817   8.3373   3.9563   10.888   3.9119   29.715   8.2113   34.522   7.4404 -4.806562 11.08084 
1 1 1   16   22    5 o   13.099   5.9566  -1.1224   2.6782  -4.2232   3.7478   2.1137   3.8287   13.220   6.3314   19.326   7.9186 -6.105728 10.13856 
1 1 1   16   22    6 o   11.993   5.6126  -2.0962   2.6368  -1.4069   3.6985  -2.8087   3.7603   15.199   6.9457   14.190   6.6603 1.009459 9.623000 
1 1 1   16   22    7 o   34.416   5.8356   10.370   3.0393   8.6856   4.6149   11.660   4.0388   29.486   9.0814   35.414   7.5010 -5.928074 11.77862 
1 1 1   16   22    8 o   34.129   5.5410   10.153   2.8660   15.475   4.0745   4.9409   4.0320   41.603   6.4494   23.254   8.4920 18.34929 10.66347 
1 1 1   16   22    9 o   29.532   6.2672   7.9292   2.8145   5.2855   4.0282   10.451   3.9340   23.556   8.5045   32.905   7.7476 -9.348860 11.50441 
1 1 1   16   22   10 o   28.473   6.8004   7.6849   2.9967   4.3873   4.2212   11.036   4.2550   21.912   8.5321   33.006   8.2406 -11.09361 11.86188 
1 1 1   16   22   11 o   15.820   6.7573   1.0481   2.9689   0.5757   3.9973   1.6293   4.4339   16.901   7.5131   18.502   8.0795 -1.600977 11.03292 
1 1 1   16   22   12 o   18.955   7.0488   3.3069   2.7992   1.3751   3.9177   5.3216   4.0009   17.352   7.5856   22.472   8.4130 -5.120623 11.32788 
1 1 1   16   22   13 o   13.272   5.9819  -0.2473   2.6302   2.6239   3.7292  -3.0895   3.7103   18.289   7.6810   13.093   6.2783 5.196448 9.920455 
1 1 1   16   22   14 o   11.622   5.5058  -1.9398   2.6797  -0.6266   3.7257  -3.3470   3.8569   14.734   6.8189   13.050   6.2941 1.684300 9.279709 
1 1 1   16   22   15 o   24.391   6.9593   6.3339   2.7945   2.4661   3.9239   10.314   3.9806   17.708   7.6679   29.763   8.2410 -12.05536 11.25660 
1 1 1   16   22   16 o   20.943   7.1202   4.8200   2.7961  -0.4817   3.9146   10.342   3.9951   14.806   6.8990   29.408   8.2978 -14.60186 10.79119 
1 1 1   16   22   17 o   16.073   6.6498   2.2409   2.7347   1.7109   3.8865   2.7606   3.8486   16.385   7.3375   17.432   7.5709 -1.046421 10.54315 
1 1 1   16   22   18 o   12.121   5.6607  -0.6447   2.6596   3.0470   3.8381  -4.0549   3.6889   16.997   7.4671   11.653   5.7350 5.343570 9.415297 
1 1 1   16   22   19 o   10.954   5.2489  -1.4514   2.5837  -1.7433   3.7782  -1.1949   3.5412   12.556   6.0972   12.594   6.0634 -0.3815651E-01 8.598841 
1 1 1   16   23    0 o   21.573   10.204   6.0326   3.9114   6.0326   3.9114   6.0326   3.9114   21.573   10.204   21.573   10.204 0.000000 0.000000 
1 1 1   16   23    1 o   20.257   7.0678   3.5310   2.7611   2.5024   3.9353   4.5285   3.8750   19.791   8.0589   22.668   8.3175 -2.876326 11.58131 
1 1 1   16   23    2 o   14.975   6.4513   0.3783   2.7494   5.4264   3.8605  -4.8177   3.9167   24.109   8.3605   13.139   6.3385 10.97048 10.49165 
1 1 1   16   23    3 o   43.532   4.4444   15.854   2.9936   15.860   4.2259   15.849   4.2415   42.040   6.6244   42.001   6.6568 0.3946304E-01 9.391230 
1 1 1   16   23    4 o   18.340   6.9684   2.5639   2.7678   4.3356   3.8806   0.7294   3.9488   22.217   8.2920   17.595   7.6551 4.622034 11.28528 
1 1 1   16   23    5 o   18.028   7.0874   2.2931   2.9360  -0.6548   4.0657   5.5054   4.2442   16.373   7.4030   24.044   8.7227 -7.670980 11.44074 
1 1 1   16   23    6 o   18.678   7.1334   2.7532   2.9099   0.9962   4.1304   4.4847   4.1003   17.971   7.8236   22.296   8.4791 -4.324888 11.53708 
1 1 1   16   23    7 o   18.161   7.4324   2.1757   3.3678  -2.7880   4.9805   6.3573   4.5713   16.084   7.5853   24.854   9.0474 -8.769604 11.80640 
1 1 1   16   23    8 f   7.9101   4.0201  -9.3563   2.6590 -12.2097   3.7541  -6.4835   3.7668   9.5292   4.8361   11.642   5.7421 -2.113022 7.507351 
1 1 1   16   23    9 o   13.507   6.0707  -0.3408   2.6874   0.1580   3.8549  -0.8124   3.7486   16.192   7.2748   15.139   6.9458 1.053412 10.05817 
1 1 1   16   23   10 o   15.897   6.6254   1.5235   2.7429   2.1643   3.8825   0.8850   3.8756   18.111   7.7314   16.730   7.4197 1.381235 10.71570 
1 1 1   16   23   11 o   19.221   7.3636   3.5567   3.1070   5.2568   4.0639   1.1650   4.8202   21.909   8.4143   17.817   8.0580 4.092098 11.65038 
1 1 1   16   23   12 o   16.473   6.8246   2.0349   2.8856   0.6212   4.0753   3.4564   4.0865   16.286   7.3829   19.207   8.0519 -2.921783 10.92426 
1 1 1   16   23   13 o   18.609   7.0583   3.4924   2.8368   5.2479   4.0435   1.7908   3.9808   21.217   8.3245   17.072   7.5481 4.144747 11.23711 
1 1 1   16   23   14 o   13.573   6.1729  -0.0876   2.8772  -0.6818   3.9327   0.5969   4.2206   14.698   6.8706   16.051   7.3666 -1.353154 10.07332 
1 1 1   16   23   15 o   12.363   5.8180  -1.3244   2.9025   4.8210   4.0083  -8.0991   4.2085   20.084   8.1499   11.205   5.6132 8.879712 9.895915 
1 1 1   16   23   16 o   14.174   6.3546   0.7474   2.9244   1.4343   4.1131   0.0450   4.1589   16.065   7.3349   15.021   7.0357 1.043959 10.16372 
1 1 1   16   23   17 o   13.763   6.4847  -0.0805   3.6249   1.8953   5.1460  -2.0263   5.1068   16.170   7.6511   14.105   6.9018 2.064626 10.30410 
1 1 1   16   23   18 o   12.554   5.9195  -0.1493   3.0312   0.2941   4.5692  -0.4979   4.0511   14.209   6.8526   13.377   6.4515 0.8324814 9.411714 
1 1 1   16   24    0 o   11.785   8.1959  -3.2180   5.3779  -3.2180   5.3779  -3.2180   5.3779   11.785   8.1959   11.785   8.1959 0.000000 0.000000 
1 1 1   16   24    1 o   12.605   6.0926  -4.3739   3.6616  -6.9155   5.0023  -1.4404   5.3742   13.903   6.8088   17.512   8.1340 -3.608829 10.60760 
1 1 1   16   24    2 o   17.258   7.2826   1.5421   3.3778   2.9883   4.7458   0.0574   4.8088   20.493   8.6390   17.793   8.0476 2.699873 11.80662 
1 1 1   16   24    3 o   21.396   7.7989   4.3432   3.3983   8.2018   4.3697  -1.5616   5.4056   27.610   8.8830   17.346   8.0907 10.26352 12.01532 
1 1 1   16   24    4 o   12.468   5.8378  -1.8642   2.8593  -0.9348   4.1328  -2.7176   3.9601   15.813   7.2692   14.169   6.7066 1.644005 9.890365 
1 1 1   16   24    5 o   10.542   5.1667  -4.6452   2.8978   5.5125   4.2295 -13.6321   3.9783   23.056   8.6462   9.5600   4.8643 13.49590 9.920569 
1 1 1   16   24    6 o   24.124   7.2131   5.8601   2.9411   6.9707   4.3029   4.8864   4.0292   25.053   8.8170   21.944   8.3907 3.109383 12.17139 
1 1 1   16   24    7 o   10.064   4.9945  -5.9377   3.0139  -7.0681   4.1038  -4.6141   4.4407   11.881   5.8842   13.658   6.6271 -1.776485 8.862425 
1 1 1   16   24    8 o   16.709   6.7322   2.1643   2.7133   1.7418   3.8740   2.5712   3.8014   17.432   7.5832   18.309   7.7258 -0.8763409 10.82554 
1 1 1   16   24    9 o   12.542   5.8040  -1.0147   2.6984   0.0973   3.8527  -2.0856   3.7806   15.626   7.1209   13.795   6.5364 1.831441 9.665993 
1 1 1   16   24   10 o   17.430   6.8324   2.7771   2.7217   2.0059   3.8559   3.5427   3.8421   17.304   7.5460   19.092   7.8890 -1.788206 10.91688 
1 1 1   16   24   11 o   15.368   6.6346   1.3443   2.9201  -1.3799   3.8971   4.8318   4.4094   14.229   6.7103   20.532   8.4644 -6.302698 10.80163 
1 1 1   16   24   12 o   13.030   5.9196  -0.1616   2.6370   0.4733   3.7219  -0.8015   3.7368   15.338   6.9930   14.299   6.6884 1.038292 9.676651 
1 1 1   16   24   13 o   12.464   5.7571  -0.6309   2.6363  -1.0006   3.7154  -0.2560   3.7414   14.004   6.5880   14.616   6.7881 -0.6117449 9.459372 
1 1 1   16   24   14 o   10.549   5.1444  -3.2809   2.7691   2.4533   3.9543  -8.7987   3.8789   17.015   7.5229   10.299   5.1900 6.716383 9.139478 
1 1 1   16   24   15 o   13.118   6.0134   0.1550   2.8013  -1.2791   3.9434   1.6161   3.9802   13.551   6.4913   15.703   7.1871 -2.152279 9.684543 
1 1 1   16   24   16 o   10.353   5.0433  -2.4760   2.6399   0.8972   3.6557  -6.1519   3.8162   14.220   6.6396   10.631   5.3287 3.588867 8.513448 
1 1 1   16   24   17 o   11.497   5.4175  -0.3989   2.5310  -1.6623   3.5906   0.8488   3.5683   12.047   5.8714   13.646   6.4309 -1.598805 8.708062 
1 1 1   16   25    0 o   13.046   8.3810   1.2683   3.9138   1.2683   3.9138   1.2683   3.9138   13.046   8.3810   13.046   8.3810 0.000000 0.000000 
1 1 1   16   25    1 o   10.130   4.9735  -4.4091   2.7209  -5.8098   3.8190  -2.9652   3.8775   11.862   5.8371   13.562   6.4801 -1.699949 8.721440 
1 1 1   16   25    2 o   10.546   5.1421  -3.8874   2.7637  -6.0730   3.8931  -1.6672   3.9239   11.867   5.8502   14.514   6.8095 -2.646448 8.977421 
1 1 1   16   25    3 o   16.699   7.1189   1.6815   3.2839   4.2795   4.6286  -0.9514   4.6597   20.799   8.6324   16.089   7.5067 4.710096 11.43976 
1 1 1   16   25    4 o   15.200   6.5137   1.1190   2.7750   2.3597   3.8839  -0.1750   3.9664   18.052   7.7200   15.647   7.1663 2.404371 10.53350 
1 1 1   16   25    5 o   14.126   6.2796   0.2875   2.7926  -1.5631   3.9027   2.2292   3.9977   14.380   6.7608   17.894   7.7441 -3.513844 10.28005 
1 1 1   16   25    6 o   15.012   6.6033   0.7977   3.0099  -0.0621   4.3108   1.6157   4.2046   16.002   7.3807   17.330   7.7046 -1.327726 10.66936 
1 1 1   16   25    7 o   16.731   6.9600   2.2041   3.0188  -0.1888   4.2722   4.5903   4.2662   15.730   7.2876   20.430   8.3635 -4.699821 11.09312 
1 1 1   16   25    8 o   23.926   7.3097   6.3118   2.9975   2.1943   4.1722   10.705   4.3093   17.559   7.7470   29.544   8.7057 -11.98416 11.65358 
1 1 1   16   25    9 o   29.535   7.0864   9.3408   3.2424   9.7965   4.5856   8.8852   4.5853   27.085   9.1188   25.663   9.0954 1.422623 12.87935 
1 1 1   16   25   10 o   15.504   6.8606   1.2419   3.2958  -1.0840   4.4941   3.9484   4.8479   15.026   7.1216   19.237   8.4233 -4.210815 11.03037 
1 1 1   16   25   11 o   13.018   6.0880  -0.9191   3.0934   4.1826   4.3063  -6.3589   4.4466   19.186   8.1647   12.199   6.0561 6.986964 10.16553 
1 1 1   16   25   12 o   10.809   5.2151  -2.4868   2.6537  -5.3277   3.7586   0.3370   3.7473   11.397   5.6421   14.859   6.8632 -3.461782 8.884680 
1 1 1   16   25   13 o   13.882   6.1333   1.0283   2.6240   2.7744   3.7582  -0.6326   3.6653   16.745   7.3714   13.686   6.4702 3.058879 9.808235 
1 1 1   16   25   14 o   14.015   6.1551   1.4863   2.6062   5.3878   3.7313  -2.2298   3.6416   19.012   7.8066   12.220   5.9459 6.791965 9.813099 
1 1 1   16   25   15 o   14.074   6.1675   1.8532   2.6036   6.0022   3.6790  -2.3096   3.6851   19.033   7.7761   11.894   5.8288 7.138608 9.718216 
1 1 1   16   26    0 o   10.666   7.3315  -1.2921   4.0005  -1.2921   4.0005  -1.2921   4.0005   10.666   7.3315   10.666   7.3315 0.000000 0.000000 
1 1 1   16   26    1 o   12.936   5.9738  -0.7330   2.8367   5.7792   4.0919  -6.7581   3.9359   21.897   8.4345   11.386   5.6603 10.51044 10.15777 
1 1 1   16   26    2 o   16.776   6.8787   2.3857   2.8917   1.3873   3.9990   3.4798   4.1864   16.635   7.4465   18.924   8.0516 -2.289070 10.96712 
1 1 1   16   26    3 f   19.416   7.7304   4.0331   3.5338   4.4699   5.2885   3.6807   4.7500   20.143   8.8094   19.273   8.3902 0.8699589 12.16554 
1 1 1   16   26    4 o   11.116   5.4495  -4.3094   3.2302  -4.3231   4.5970  -4.2961   4.5399   13.495   6.5914   13.424   6.5554 0.7085991E-01 9.296170 
1 1 1   16   26    5 o   16.149   6.9818   1.7900   3.2429   1.0850   4.4704   2.5730   4.7114   16.638   7.6156   18.059   8.0835 -1.420973 11.10587 
1 1 1   16   26    6 o   16.237   6.9555   1.9815   3.1622   0.0344   4.3611   4.1400   4.5917   15.641   7.2860   19.384   8.3436 -3.742563 11.07708 
1 1 1   16   26    7 o   10.391   5.1051  -4.1171   2.8832  -4.2450   4.0887  -3.9906   4.0664   12.610   6.1714   12.703   6.2033 -0.9236145E-01 8.750281 
1 1 1   16   26    8 o   20.826   7.2866   4.9919   2.9359   6.1492   4.0922   3.7644   4.2146   21.680   8.4122   18.676   8.0155 3.004360 11.61954 
1 1 1   16   26    9 o   14.094   6.3558   0.5361   2.9736   5.9178   4.0539  -5.7322   4.3751   21.141   8.3230   12.244   6.0659 8.897269 10.29891 
1 1 1   16   26   10 o   13.073   6.0990  -0.5443   3.0748  -2.4809   4.3867   1.3262   4.3112   13.635   6.6091   16.018   7.3854 -2.383479 9.910841 
1 1 1   16   26   11 o   13.827   6.3433   0.4961   3.1256  -3.0766   4.3301   4.3827   4.5163   12.977   6.3509   18.222   8.0488 -5.244843 10.25265 
1 1 1   16   26   12 o   10.576   5.1931  -3.1856   2.9696   0.8497   4.2299  -7.1073   4.1699   14.652   6.9339   10.842   5.4527 3.809878 8.821054 
1 1 1   16   26   13 o   9.7360   4.8418  -4.1726   2.8909   0.4799   4.1584  -8.5243   4.0217   13.907   6.6627   9.9918   5.0639 3.914789 8.368629 
1 1 1   16   26   14 o   12.975   5.9854   0.9821   2.8365  -0.2182   4.0708   2.1148   3.9546   13.095   6.3522   14.506   6.8155 -1.410648 9.316708 
1 1 1   16   27    0 o   10.288   7.1249  -1.5197   3.9548  -1.5197   3.9548  -1.5197   3.9548   10.288   7.1249   10.288   7.1249 0.000000 0.000000 
1 1 1   16   27    1 o   19.215   7.2914   4.1499   3.0279   6.6131   4.2677   1.6532   4.2968   22.156   8.5924   16.667   7.5658 5.488510 11.44861 
1 1 1   16   27    2 o   18.555   7.3467   3.7756   3.1750   2.5088   4.2757   5.3327   4.7404   17.395   7.7493   20.301   8.5998 -2.905336 11.57615 
1 1 1   16   27    3 o   22.185   7.6579   5.9494   3.2373   4.9399   4.4220   7.1154   4.7525   19.882   8.3578   22.275   8.9324 -2.393475 12.23278 
1 1 1   16   27    4 o   15.630   6.7285   1.8249   2.9867   2.5249   4.1714   1.0885   4.2784   17.245   7.6700   16.069   7.3902 1.175837 10.65100 
1 1 1   16   27    5 f   17.327   7.0530   3.0944   3.0128  -0.1539   4.2872   6.2640   4.2349   15.074   7.0867   21.376   8.4780 -6.301687 11.04983 
1 1 1   16   27    6 o   17.069   6.8594   3.0271   2.8090   1.7633   3.9412   4.3318   4.0046   16.169   7.3020   18.871   7.9444 -2.701778 10.79042 
1 1 1   16   27    7 o   11.569   5.5048  -1.5511   2.7369   2.7347   3.9281  -5.5947   3.8154   16.897   7.4829   11.240   5.5853 5.656612 9.337544 
1 1 1   16   27    8 o   13.071   5.9694   0.2826   2.7263   0.1656   3.8386   0.4016   3.8729   14.330   6.7270   14.540   6.8036 -0.2100620 9.567741 
1 1 1   16   27    9 o   12.672   5.8294   0.2101   2.6645   1.3637   3.8274  -0.8747   3.7117   14.887   6.8972   13.159   6.3019 1.727610 9.342632 
1 1 1   16   27   10 o   12.766   5.8539   0.5701   2.6575   1.3861   3.7718  -0.2344   3.7449   14.453   6.7470   13.280   6.3519 1.172640 9.266538 
1 1 1   16   27   11 o   9.6062   4.7541  -3.4246   2.6610  -0.5877   3.8001  -6.1541   3.7274   12.816   6.1975   10.222   5.1427 2.593987 8.053321 
1 1 1   16   27   12 o   9.3820   4.6599  -3.5981   2.6450  -0.8935   3.7523  -6.2693   3.7290   12.372   6.0235   10.054   5.0693 2.317980 7.872790 
1 1 1   16   28    0 o   15.083   9.1194   3.8965   3.9635   3.8965   3.9635   3.8965   3.9635   15.083   9.1194   15.083   9.1194 0.000000 0.000000 
1 1 1   16   28    1 o   13.587   6.1168   0.7045   2.7410   2.1877   3.8932  -0.7533   3.8596   16.114   7.2689   13.760   6.5442 2.353522 9.780792 
1 1 1   16   28    2 o   11.848   5.6066  -1.1100   2.7641  -1.0611   3.8949  -1.1596   3.9234   13.553   6.4812   13.525   6.4777 0.2818775E-01 9.163284 
1 1 1   16   28    3 o   18.393   6.9883   4.1437   2.7836   5.4672   3.9329   2.8153   3.9403   19.467   8.0065   16.529   7.3960 2.937992 10.89972 
1 1 1   16   28    4 o   13.174   6.0163   0.4881   2.7693  -0.2654   3.8791   1.2712   3.9546   13.838   6.5754   15.019   6.9766 -1.181123 9.586897 
1 1 1   16   28    5 o   10.690   5.1923  -2.3304   2.7437  -6.6505   3.8299   2.2242   3.9324   10.516   5.2802   15.567   7.1317 -5.050844 8.873704 
1 1 1   16   28    6 o   11.012   5.3087  -1.6731   2.7365  -4.6379   3.8759   1.2738   3.8641   11.221   5.5845   14.501   6.7886 -3.279500 8.790477 
1 1 1   16   28    7 o   10.074   4.9568  -3.0165   2.7520  -2.4502   3.8731  -3.5938   3.9109   12.033   5.9131   11.554   5.7263 0.4790030 8.231362 
1 1 1   16   28    8 o   9.9656   4.9077  -2.9073   2.7162  -0.6084   3.8513  -5.1823   3.8312   12.788   6.1973   10.673   5.3482 2.114711 8.185900 
1 1 1   16   28    9 o   9.4824   4.7106  -3.6097   2.7074  -3.4903   3.8217  -3.7300   3.8361   11.185   5.5633   11.104   5.5312 0.8123875E-01 7.844986 
1 1 1   16   29    0 o   11.410   7.6968   1.3015   3.9930   1.3015   3.9930   1.3015   3.9930   11.410   7.6968   11.410   7.6968 0.000000 0.000000 
1 1 1   16   29    1 f   11.423   5.4603  -0.7966   2.7587   1.1337   3.8992  -2.7312   3.9035   13.901   6.6014   11.761   5.8090 2.139888 8.793353 
1 1 1   16   29    2 o   11.558   5.5072  -0.5819   2.7599  -2.7933   3.8838   1.6742   3.9228   11.673   5.7708   14.226   6.7159 -2.553187 8.854633 
1 1 1   16   29    3 o   14.219   6.2953   2.2095   2.7784   1.5723   3.8903   2.8729   3.9696   14.051   6.6496   15.026   6.9831 -0.9750938 9.642622 
1 1 1   16   29    4 o   11.551   5.5117  -0.4839   2.7843   0.8168   3.9430  -1.7774   3.9321   13.473   6.4636   12.056   5.9309 1.416598 8.772275 
1 1 1   16   29    5 o   13.509   6.1197   1.7440   2.7937  -1.8215   3.9217   5.4178   3.9808   11.946   5.8857   16.953   7.5190 -5.007046 9.548652 
1 1 1   16   29    6 o   10.904   5.3309  -1.7630   3.0278   3.4685   4.4772  -6.1719   4.1101   15.038   7.1219   10.451   5.2757 4.587755 8.863117 
1 1 1   17    0    1 o  100.654   2.5388   79.695   4.0044   79.695   4.0044   79.695   4.0044  100.654   2.5388  100.654   2.5388 0.000000 0.000000 
1 1 1   17    0    2 o   60.479   3.4021   29.004   3.2054   29.004   3.2054   29.004   3.2054   60.479   3.4021   60.479   3.4021 0.000000 0.000000 
1 1 1   17    0    3 o  374.183   2.6148  1099.55   15.353  1099.55   15.353  1099.55   15.353  374.183   2.6148  374.183   2.6148 0.000000 0.000000 
1 1 1   17    0    4 o   78.182   2.8980   48.202   3.5444   48.202   3.5444   48.202   3.5444   78.182   2.8980   78.182   2.8980 0.000000 0.000000 
1 1 1   17    0    5 o  258.842   2.2727  526.140   9.2300  526.140   9.2300  526.140   9.2300  258.842   2.2727  258.842   2.2727 0.000000 0.000000 
1 1 1   17    0    6 o   54.429   3.6701   23.599   3.1016   23.599   3.1016   23.599   3.1016   54.429   3.6701   54.429   3.6701 0.000000 0.000000 
1 1 1   17    0    7 o   38.024   5.1671   11.993   2.9225   11.993   2.9225   11.993   2.9225   38.024   5.1671   38.024   5.1671 0.000000 0.000000 
1 1 1   17    0    8 o   90.842   2.6142   64.977   3.7198   64.977   3.7198   64.977   3.7198   90.842   2.6142   90.842   2.6142 0.000000 0.000000 
1 1 1   17    0    9 o  232.741   2.2187  425.487   8.1021  425.487   8.1021  425.487   8.1021  232.741   2.2187  232.741   2.2187 0.000000 0.000000 
1 1 1   17    0   10 o  305.843   2.7834  735.172   13.357  735.172   13.357  735.172   13.357  305.843   2.7834  305.843   2.7834 0.000000 0.000000 
1 1 1   17    0   11 f   35.863   7.9753   11.566   3.9225   11.566   3.9225   11.566   3.9225   35.863   7.9753   35.863   7.9753 0.000000 0.000000 
1 1 1   17    0   12 o   13.728   8.4925   1.1261   3.6187   1.1261   3.6187   1.1261   3.6187   13.728   8.4925   13.728   8.4925 0.000000 0.000000 
1 1 1   17    0   13 o   8.3863   5.9910  -5.3364   3.5649  -5.3364   3.5649  -5.3364   3.5649   8.3863   5.9910   8.3863   5.9910 0.000000 0.000000 
1 1 1   17    0   14 o   87.073   3.6623   60.032   4.9842   60.032   4.9842   60.032   4.9842   87.073   3.6623   87.073   3.6623 0.000000 0.000000 
1 1 1   17    0   15 o  110.390   2.7748   96.049   4.8001   96.049   4.8001   96.049   4.8001  110.390   2.7748  110.390   2.7748 0.000000 0.000000 
1 1 1   17    0   16 o   98.089   2.9439   75.965   4.5224   75.965   4.5224   75.965   4.5224   98.089   2.9439   98.089   2.9439 0.000000 0.000000 
1 1 1   17    0   17 o   46.528   4.2771   17.559   3.0591   17.559   3.0591   17.559   3.0591   46.528   4.2771   46.528   4.2771 0.000000 0.000000 
1 1 1   17    0   18 o   19.317   8.7227   4.3910   2.8407   4.3910   2.8407   4.3910   2.8407   19.317   8.7227   19.317   8.7227 0.000000 0.000000 
1 1 1   17    0   19 o   6.8879   4.9725  -5.0054   2.7517  -5.0054   2.7517  -5.0054   2.7517   6.8879   4.9725   6.8879   4.9725 0.000000 0.000000 
1 1 1   17    0   20 o   11.619   7.8006  -1.2478   4.0113  -1.2478   4.0113  -1.2478   4.0113   11.619   7.8006   11.619   7.8006 0.000000 0.000000 
1 1 1   17    0   21 o   64.353   3.4723   33.122   3.4832   33.122   3.4832   33.122   3.4832   64.353   3.4723   64.353   3.4723 0.000000 0.000000 
1 1 1   17    0   22 o   56.718   3.7013   25.923   3.2617   25.923   3.2617   25.923   3.2617   56.718   3.7013   56.718   3.7013 0.000000 0.000000 
1 1 1   17    0   23 o   49.573   4.1423   20.108   3.1689   20.108   3.1689   20.108   3.1689   49.573   4.1423   49.573   4.1423 0.000000 0.000000 
1 1 1   17    0   24 o   10.523   6.8980  -0.0051   2.8418  -0.0051   2.8418  -0.0051   2.8418   10.523   6.8980   10.523   6.8980 0.000000 0.000000 
1 1 1   17    0   25 o   11.439   7.2629   0.8586   2.8360   0.8586   2.8360   0.8586   2.8360   11.439   7.2629   11.439   7.2629 0.000000 0.000000 
1 1 1   17    0   26 o   10.897   7.0725   0.4653   2.8829   0.4653   2.8829   0.4653   2.8829   10.897   7.0725   10.897   7.0725 0.000000 0.000000 
1 1 1   17    0   27 f   29.285   7.3992   8.6761   2.9404   8.6761   2.9404   8.6761   2.9404   29.285   7.3992   29.285   7.3992 0.000000 0.000000 
1 1 1   17    0   28 f   16.644   8.5762   4.1739   2.8660   4.1739   2.8660   4.1739   2.8660   16.644   8.5762   16.644   8.5762 0.000000 0.000000 
1 1 1   17    0   29 o   8.7088   5.9924  -0.8906   2.6894  -0.8906   2.6894  -0.8906   2.6894   8.7088   5.9924   8.7088   5.9924 0.000000 0.000000 
1 1 1   17    1    0 o   70.963   3.0245   39.763   3.3542   39.763   3.3542   39.763   3.3542   70.963   3.0245   70.963   3.0245 0.000000 0.000000 
1 1 1   17    1    1 f   50.340   2.7334   19.971   2.1512   19.532   3.0236   20.421   3.0613   49.666   3.9108   50.796   3.8695 -1.129749 5.501605 
1 1 1   17    1    2 o  102.991   1.8051   83.284   2.9174   81.982   4.2519   84.442   4.0104  102.110   2.6557  103.676   2.4649 -1.565659 3.623313 
1 1 1   17    1    3 o  303.495   1.6832  723.161   8.0168  730.526   11.390  715.932   11.285  304.948   2.3802  301.886   2.3821 3.061707 3.367450 
1 1 1   17    1    4 o  534.993   2.2958  2248.37   19.275  2219.86   26.941  2278.26   27.589  531.294   3.2312  538.224   3.2664 -6.929993 4.594563 
1 1 1   17    1    5 o  157.878   1.5549  195.686   3.8525  198.365   5.4556  193.022   5.4409  158.912   2.1876  156.755   2.2118 2.156693 3.110918 
1 1 1   17    1    6 o  291.739   1.7086  668.308   7.8226  661.558   10.648  676.223   11.530  290.171   2.3384  293.340   2.5047 -3.169586 3.426575 
1 1 1   17    1    7 o  111.225   1.7290   97.147   3.0179   99.669   4.4189   94.942   4.1316  112.611   2.5005  109.916   2.3952 2.695206 3.462615 
1 1 1   17    1    8 o   70.028   2.1195   38.565   2.3266   38.305   3.3031   38.821   3.2775   69.711   3.0266   70.184   2.9825 -0.4737549 4.249230 
1 1 1   17    1    9 o   60.065   2.3833   28.406   2.2421   26.711   3.1550   30.135   3.1868   58.129   3.4744   61.776   3.2992 -3.647022 4.791290 
1 1 1   17    1   10 o   23.727   6.3080   4.6390   2.3890   5.8797   3.2944   3.2629   3.4696   26.730   7.5325   21.906   7.8949 4.824455 10.91182 
1 1 1   17    1   11 o   82.815   2.5446   54.006   3.3030   55.762   5.0147   52.661   4.3898   83.967   3.8156   81.656   3.4334 2.310844 5.132950 
1 1 1   17    1   12 o   95.836   2.4822   72.317   3.7300   70.676   5.2574   73.981   5.2927   94.570   3.5488   96.770   3.4909 -2.199791 4.977999 
1 1 1   17    1   13 o   99.004   2.4227   77.140   3.7642   70.746   5.2706   83.795   5.3776   94.585   3.5572  102.997   3.3314 -8.412949 4.873609 
1 1 1   17    1   14 o   87.074   2.4976   59.754   3.4093   56.545   4.5560   63.838   5.1397   84.534   3.4415   89.781   3.6556 -5.247009 5.020684 
1 1 1   17    1   15 o   39.006   3.8226   12.170   2.3099   13.415   3.2862   10.954   3.2476   40.642   5.2770   36.509   5.8672 4.133137 7.891129 
1 1 1   17    1   16 o   61.507   2.6276   29.905   2.5304   31.436   3.7270   28.597   3.4465   62.814   3.7986   59.928   3.6825 2.886204 5.290623 
1 1 1   17    1   17 o   33.918   4.1852   9.3131   2.1805   9.0649   3.1060   9.5544   3.0617   32.873   6.2491   33.853   5.9819 -0.9799843 8.650706 
1 1 1   17    1   18 o   33.427   4.0591   9.0576   2.0857   10.391   2.9326   7.6929   2.9670   35.418   5.4507   30.066   6.4796 5.352499 8.467327 
1 1 1   17    1   19 f   20.246   6.0270   3.4340   2.0569   5.4330   2.9043   1.4225   2.9134   25.093   7.0729   17.381   6.9854 7.712387 9.940956 
1 1 1   17    1   20 o   90.833   2.6409   65.491   3.7604   72.221   5.6953   60.289   5.0071   94.793   3.8365   86.673   3.6896 8.119102 5.322771 
1 1 1   17    1   21 o   50.165   2.9207   20.111   2.2894   16.698   3.2066   23.659   3.2695   45.083   4.5967   54.062   3.8796 -8.979130 6.015019 
1 1 1   17    1   22 o   47.490   3.0158   18.108   2.2360   19.127   3.1929   17.128   3.1323   48.281   4.2577   45.585   4.4346 2.695625 6.147620 
1 1 1   17    1   23 o   33.055   4.1767   9.0927   2.1183   7.6406   3.0248   10.490   2.9675   28.989   6.7718   34.789   5.6276 -5.799772 8.804980 
1 1 1   17    1   24 o   20.929   6.0280   3.9982   2.0872   5.2155   2.9211   2.7286   2.9832   23.362   7.2304   18.629   7.1949 4.732630 10.20026 
1 1 1   17    1   25 o   46.875   3.0327   18.000   2.2189   19.203   3.1173   16.765   3.1592   47.505   4.2255   44.019   4.6433 3.486561 6.278149 
1 1 1   17    1   26 o   10.388   4.8674  -1.4253   1.9937   0.8502   2.8189  -3.7024   2.8200   15.010   6.4994   10.803   5.2508 4.207075 8.355411 
1 1 1   17    1   27 o   12.796   5.5299   0.4774   2.0325   0.6165   2.9630   0.3538   2.7934   14.744   6.5156   14.149   6.2857 0.5945988 9.053323 
1 1 1   17    1   28 o   18.556   5.9984   3.5853   1.9910   2.7953   2.8105   4.3812   2.8209   16.818   6.8243   19.546   7.1084 -2.728437 9.853994 
1 1 1   17    1   29 o   12.948   5.5070   1.1394   1.9572   0.1330   2.7779   2.1315   2.7581   12.886   5.9366   15.173   6.4977 -2.287507 8.801353 
1 1 1   17    2    0 o   98.783   2.7191   76.797   4.2079   76.797   4.2079   76.797   4.2079   98.783   2.7191   98.783   2.7191 0.000000 0.000000 
1 1 1   17    2    1 o  120.849   1.6650  114.658   3.1577  116.212   4.4861  113.133   4.4455  121.632   2.3503  120.009   2.3605 1.622734 3.331017 
1 1 1   17    2    2 o   94.115   1.8346   69.549   2.7095   72.309   3.8336   66.793   3.8301   95.900   2.5496   92.159   2.6510 3.740570 3.678096 
1 1 1   17    2    3 o  237.199   1.5779  441.703   5.8735  446.650   8.3535  436.865   8.2599  238.461   2.2323  235.834   2.2318 2.626556 3.156591 
1 1 1   17    2    4 o   80.778   2.1641   51.289   2.7408   53.643   3.8546   48.881   3.8979   82.549   2.9804   78.778   3.1594 3.770592 4.343325 
1 1 1   17    2    5 o  268.440   1.6197  565.767   6.8233  565.150   9.6394  566.387   9.6598  268.211   2.2902  268.504   2.2925 -0.2931213 3.240439 
1 1 1   17    2    6 o  198.199   1.6428  308.444   5.1098  304.077   6.7203  314.428   7.8671  196.741   2.1766  200.023   2.5063 -3.281738 3.319523 
1 1 1   17    2    7 o   90.599   1.8386   64.465   2.6141   63.485   3.6861   65.456   3.7078   89.828   2.6176   91.215   2.5929 -1.387260 3.684458 
1 1 1   17    2    8 o   57.918   2.4340   26.414   2.2074   28.186   3.1434   24.691   3.1005   59.739   3.3666   55.879   3.5541 3.860756 4.895446 
1 1 1   17    2    9 o   21.587   5.8548   3.8199   2.0331   1.0822   2.9132   6.4193   2.8387   17.279   6.9709   27.854   6.5966 -10.57489 9.597261 
1 1 1   17    2   10 o   88.062   2.2856   61.008   3.1560   60.875   4.2532   61.172   4.7079   87.871   3.0891   88.040   3.4140 -0.1684647 4.604122 
1 1 1   17    2   11 o  139.324   2.0208  152.569   4.4184  152.233   6.3006  152.894   6.1978  139.048   2.8874  139.359   2.8340 -0.3105316 4.045815 
1 1 1   17    2   12 o   71.150   2.6585   39.907   2.9631   36.596   4.2083   43.162   4.1729   67.934   3.9647   73.858   3.6112 -5.924500 5.362790 
1 1 1   17    2   13 o   99.505   2.2387   77.891   3.4959   82.537   4.9628   73.316   4.9253  102.263   3.0960   96.344   3.2623 5.918373 4.497535 
1 1 1   17    2   14 o  120.776   2.0995  114.753   3.9793  124.070   5.7186  106.007   5.5408  125.435   2.9051  115.877   3.0496 9.558495 4.211878 
1 1 1   17    2   15 o   81.968   2.2420   52.944   2.8813   50.228   4.0857   55.631   4.0638   79.644   3.2759   83.865   3.0931 -4.220924 4.505436 
1 1 1   17    2   16 o  127.424   1.7757  127.737   3.5508  124.580   5.0310  130.870   5.0123  125.664   2.5512  128.817   2.4794 -3.152649 3.557535 
1 1 1   17    2   17 o   43.596   3.3265   15.162   2.2586   15.281   3.2119   15.046   3.1768   43.389   4.7970   43.055   4.7823 0.3346443 6.773626 
1 1 1   17    2   18 o   67.669   2.4398   36.227   2.5867   35.400   3.6635   37.050   3.6528   66.596   3.5179   68.165   3.4257 -1.568520 4.910311 
1 1 1   17    2   19 o   27.897   5.3069   6.5289   2.2384   6.1761   3.1800   6.8754   3.1514   26.641   7.3617   28.115   7.1326 -1.474072 10.25028 
1 1 1   17    2   20 o   32.563   4.7435   8.7723   2.3528   11.624   3.6193   6.6853   3.0963   36.845   6.4969   27.604   7.1057 9.240349 9.628097 
1 1 1   17    2   21 o   69.926   2.3245   38.783   2.5472   39.833   3.6428   37.779   3.5632   70.486   3.3024   68.634   3.3180 1.851852 4.681382 
1 1 1   17    2   22 o   24.635   5.5157   5.2492   2.0791   2.5055   2.9890   7.8211   2.8940   18.911   7.2279   29.817   6.3778 -10.90586 9.639465 
1 1 1   17    2   23 o   37.384   3.6944   11.472   2.1391   9.0212   2.9842   14.061   3.0677   31.872   6.1894   40.787   4.8901 -8.915182 7.888133 
1 1 1   17    2   24 o   15.941   6.0473   1.8881   2.0825  -0.1028   2.9352   3.9060   2.9550   14.551   6.4550   20.687   7.3044 -6.135481 9.747868 
1 1 1   17    2   25 o   29.262   4.7470   7.5177   2.1052   8.6488   2.9793   6.3896   2.9752   30.122   6.4941   25.280   7.1702 4.841232 9.673958 
1 1 1   17    2   26 o   14.279   5.7855   1.2955   2.0164   2.1331   2.8569   0.4639   2.8465   16.854   6.8651   14.566   6.4138 2.287477 9.394974 
1 1 1   17    2   27 o   24.093   5.4769   5.4952   2.0237   1.0359   2.8328   10.143   2.8919   15.027   6.5112   32.599   5.8688 -17.57174 8.765718 
1 1 1   17    2   28 o   15.004   5.8359   2.0448   1.9731   2.9615   2.7812   1.1158   2.7998   17.015   6.8297   14.443   6.3603 2.571772 9.332622 
1 1 1   17    3    0 o  118.161   2.3616  109.748   4.3752  109.748   4.3752  109.748   4.3752  118.161   2.3616  118.161   2.3616 0.000000 0.000000 
1 1 1   17    3    1 o  296.845   1.7900  691.872   8.3388  700.320   11.882  683.673   11.705  298.552   2.5361  294.984   2.5286 3.568481 3.581299 
1 1 1   17    3    2 o  174.831   1.5487  239.959   4.2490  246.107   6.0632  234.025   5.9563  177.013   2.1827  172.612   2.1989 4.400986 3.098243 
1 1 1   17    3    3 o  252.575   1.5909  500.838   6.3058  495.694   8.8570  506.125   8.9799  251.205   2.2467  253.834   2.2543 -2.628433 3.182723 
1 1 1   17    3    4 o  273.704   1.6287  588.171   6.9958  597.672   9.9911  579.033   9.7987  275.822   2.3082  271.488   2.2999 4.333710 3.258463 
1 1 1   17    3    5 o  232.953   1.5747  426.065   5.7567  426.396   8.1482  425.735   8.1342  232.973   2.2287  232.793   2.2266 0.1803894 3.150356 
1 1 1   17    3    6 o  149.263   1.7414  174.954   4.0789  178.286   5.6230  171.253   5.9259  150.626   2.3788  147.609   2.5582 3.017380 3.493302 
1 1 1   17    3    7 o  119.341   1.6657  111.839   3.1196  109.775   4.3996  113.926   4.4242  118.187   2.3721  120.403   2.3415 -2.216293 3.333071 
1 1 1   17    3    8 o   30.593   4.6264   7.5554   2.1518   8.1102   3.0908   7.0336   2.9976   31.384   6.4900   29.169   6.6911 2.214396 9.321523 
1 1 1   17    3    9 o   33.602   4.3274   9.0603   2.2290   9.5022   3.1103   8.5937   3.1959   34.100   6.0329   32.299   6.5300 1.801506 8.890300 
1 1 1   17    3   10 o   98.588   2.1569   76.400   3.3371   76.388   4.9617   76.411   4.5093   98.421   3.2168   98.479   2.9211 -0.5815887E-01 4.345161 
1 1 1   17    3   11 o  108.694   2.1893   92.892   3.7345   98.917   5.3799   87.288   5.1880  112.014   3.0634  105.204   3.1459 6.809418 4.391040 
1 1 1   17    3   12 o  160.857   1.8750  203.367   4.7332  201.189   6.3944  206.008   7.0394  159.881   2.5486  161.738   2.7734 -1.857971 3.766564 
1 1 1   17    3   13 o  118.767   1.9266  110.897   3.5908  111.512   5.0699  110.278   5.0865  118.980   2.7153  118.316   2.7395 0.6642303 3.857144 
1 1 1   17    3   14 o  102.245   1.9608   82.220   3.1462   82.470   4.6180   82.005   4.2980  102.222   2.8816  101.972   2.6882 0.2505569 3.940775 
1 1 1   17    3   15 o  102.860   1.8989   83.234   3.0652   88.578   4.3794   78.101   4.2917  105.984   2.6331   99.459   2.7523 6.525192 3.808963 
1 1 1   17    3   16 o   43.176   3.5085   14.876   2.3568   13.604   3.4074   16.043   3.2632   40.786   5.4606   44.552   4.7400 -3.766273 7.230882 
1 1 1   17    3   17 o   53.239   2.8880   22.495   2.4039   21.576   3.4044   23.408   3.3948   51.803   4.2244   54.026   4.0332 -2.223030 5.840525 
1 1 1   17    3   18 o   23.427   5.9579   4.6573   2.1950   4.6312   3.1264   4.6827   3.0826   23.558   7.5070   23.640   7.4445 -0.8133316E-01 10.57240 
1 1 1   17    3   19 o   61.397   2.6007   29.909   2.5001   32.861   3.6004   27.160   3.4743   64.043   3.5969   58.123   3.8304 5.919765 5.254465 
1 1 1   17    3   20 o   42.885   3.5305   14.812   2.3550   11.584   3.3408   18.000   3.3201   36.998   5.9560   46.918   4.5670 -9.919956 7.505451 
1 1 1   17    3   21 o   47.784   3.2313   18.339   2.4088   15.710   3.3811   21.049   3.4326   43.486   5.0483   50.749   4.3521 -7.263035 6.665303 
1 1 1   17    3   22 o   75.019   2.2550   44.694   2.6518   49.492   3.6756   39.486   3.8295   78.596   2.9855   69.917   3.5014 8.679123 4.601369 
1 1 1   17    3   23 o   13.421   5.6599   0.4805   2.0381  -2.4319   2.8302   3.6177   2.9374   12.185   5.7377   20.519   7.2791 -8.333996 9.268586 
1 1 1   17    3   24 o   20.507   6.1192   3.8598   2.1183   2.5936   3.1151   4.9490   2.8892   18.473   7.2887   22.724   7.2138 -4.250547 10.25495 
1 1 1   17    3   25 o   20.798   5.9846   4.0774   2.0581   2.4869   2.9235   5.6403   2.8980   17.717   7.0385   23.706   7.1763 -5.988604 10.05187 
1 1 1   17    3   26 o   15.319   5.9158   1.8396   2.0166   3.2228   2.8345   0.4216   2.8698   18.608   7.0561   14.540   6.4194 4.068310 9.539242 
1 1 1   17    3   27 o   14.369   5.7719   1.4750   1.9880  -1.4803   2.7681   4.6230   2.8570   12.188   5.7185   20.863   7.1943 -8.675180 9.190173 
1 1 1   17    3   28 o   18.457   5.9758   3.5847   1.9755   4.3747   2.7709   2.7680   2.8173   19.402   7.0467   16.636   6.8018 2.766060 9.793866 
1 1 1   17    4    0 o  161.076   2.2220  203.806   5.6143  203.806   5.6143  203.806   5.6143  161.076   2.2220  161.076   2.2220 0.000000 0.000000 
1 1 1   17    4    1 o  149.346   1.5952  175.107   3.7387  175.125   5.2943  175.088   5.2803  149.312   2.2595  149.296   2.2537 0.1541138E-01 3.191323 
1 1 1   17    4    2 o  208.742   1.5529  342.082   5.0869  351.304   7.2816  333.291   7.1093  211.481   2.1941  205.987   2.1993 5.493774 3.106575 
1 1 1   17    4    3 o   46.933   2.9095   17.383   2.1324   15.669   2.9891   19.159   3.0430   44.382   4.3473   49.165   3.9779 -4.783237 5.892589 
1 1 1   17    4    4 o  271.077   1.6252  576.948   6.9135  582.541   9.8281  571.469   9.7271  272.301   2.2999  269.701   2.2982 2.599884 3.251386 
1 1 1   17    4    5 o  211.264   1.5609  350.427   5.1749  343.221   7.2345  357.978   7.4053  209.016   2.2056  213.462   2.2106 -4.445435 3.122716 
1 1 1   17    4    6 o  157.278   1.8122  194.266   4.4727  201.223   6.4262  187.730   6.2291  159.998   2.5594  154.540   2.5685 5.458344 3.625949 
1 1 1   17    4    7 o   79.798   2.1439   50.068   2.6823   51.344   3.7910   48.790   3.7957   80.730   2.9975   78.684   3.0799 2.045433 4.297804 
1 1 1   17    4    8 o   58.645   2.7787   27.114   2.5500   31.493   3.6361   22.876   3.5772   63.108   3.6876   53.668   4.2829 9.440144 5.651700 
1 1 1   17    4    9 o   69.457   2.5088   37.989   2.7300   35.370   3.8354   40.678   3.8869   66.879   3.6684   71.766   3.4615 -4.886292 5.043690 
1 1 1   17    4   10 o  190.761   1.9662  285.973   5.8861  282.402   8.2595  289.658   8.3904  189.421   2.7786  191.837   2.7870 -2.416122 3.935472 
1 1 1   17    4   11 o  109.205   1.8446   93.717   3.1612   92.292   4.4374   95.185   4.5046  108.291   2.6112  109.975   2.6101 -1.683868 3.691983 
1 1 1   17    4   12 o   43.481   3.4865   15.017   2.3591   13.125   3.1865   17.312   3.5093   40.323   5.1533   46.454   4.8869 -6.130711 7.101984 
1 1 1   17    4   13 o   89.709   2.0777   63.296   2.9250   64.152   4.3251   62.575   3.9708   90.138   3.0621   89.060   2.8448 1.077957 4.179581 
1 1 1   17    4   14 o   57.537   2.6882   26.151   2.4206   26.065   3.4290   26.237   3.4175   57.243   3.8393   57.438   3.8130 -0.1949615 5.411038 
1 1 1   17    4   15 o   49.855   3.1865   19.731   2.4800   22.984   3.7120   17.107   3.3331   53.545   4.4579   46.090   4.6727 7.455498 6.458141 
1 1 1   17    4   16 o  100.290   1.9651   79.196   3.0928   82.009   4.3860   76.413   4.3619  101.853   2.7466   98.290   2.8308 3.562401 3.944246 
1 1 1   17    4   17 o   43.609   3.4182   15.197   2.3206   17.325   3.2953   13.104   3.2685   46.256   4.6006   39.939   5.3492 6.316662 7.055480 
1 1 1   17    4   18 f  112.666   1.7634   99.986   3.1178   97.620   4.4276  102.314   4.3910  111.095   2.5396  113.763   2.4596 -2.668121 3.535434 
1 1 1   17    4   19 o   50.022   2.8922   19.933   2.2607   17.947   3.1918   21.932   3.2024   46.997   4.3781   52.152   3.9421 -5.155697 5.891335 
1 1 1   17    4   20 o   14.415   5.9575   0.6688   2.1917   0.2718   3.1357   1.0479   3.0646   16.122   6.9167   17.006   7.0380 -0.8833752 9.867833 
1 1 1   17    4   21 o   19.358   6.3680   3.1063   2.2390   4.7167   3.1997   1.5612   3.1341   23.320   7.6091   17.772   7.2084 5.548544 10.48140 
1 1 1   17    4   22 o   71.220   2.4063   40.373   2.6855   39.213   3.7954   41.535   3.8004   69.651   3.4834   71.746   3.3849 -2.094727 4.857142 
1 1 1   17    4   23 o   20.298   6.2579   3.6784   2.1906   2.6754   3.0927   4.6884   3.1034   18.918   7.3205   22.565   7.5001 -3.647728 10.48052 
1 1 1   17    4   24 o   10.910   5.1467  -1.9912   2.2966   0.4926   3.5565  -3.7677   3.0078   16.301   7.1737   11.445   5.5294 4.856205 9.057411 
1 1 1   17    4   25 f   10.910   5.0572  -1.1786   2.0612   0.4982   2.8604  -2.9898   2.9728   14.775   6.4699   11.733   5.6246 3.042190 8.572974 
1 1 1   17    4   26 o   17.144   6.0544   2.6865   2.0302   5.3902   2.8735  -0.0085   2.8688   22.793   7.1889   14.021   6.2894 8.772079 9.551813 
1 1 1   17    4   27 o   23.740   5.5370   5.4030   2.0248   6.0985   2.9034   4.7446   2.8251   23.751   7.1814   21.022   7.1569 2.728865 10.13874 
1 1 1   17    4   28 o   13.649   5.6192   1.4180   1.9397   2.7103   2.7525   0.1431   2.7340   16.417   6.7190   13.116   5.9853 3.300429 8.998275 
1 1 1   17    5    0 o   63.537   3.3992   31.989   3.3670   31.989   3.3670   31.989   3.3670   63.537   3.3992   63.537   3.3992 0.000000 0.000000 
1 1 1   17    5    1 o  194.414   1.5602  296.740   4.7601  293.570   6.6996  299.971   6.7646  193.318   2.2083  195.414   2.2059 -2.096237 3.121310 
1 1 1   17    5    2 o   67.451   2.2615   35.782   2.3904   37.732   3.4205   33.920   3.3421   69.192   3.1584   65.587   3.2573 3.605331 4.537111 
1 1 1   17    5    3 o  114.251   1.6970  102.496   3.0426  105.235   4.3495   99.871   4.2577  115.727   2.3950  112.739   2.4065 2.988487 3.395192 
1 1 1   17    5    4 o  149.739   1.5873  176.046   3.7300  172.336   5.2720  179.763   5.2781  148.103   2.2683  151.265   2.2235 -3.161530 3.176337 
1 1 1   17    5    5 o   44.154   3.5094   15.444   2.4117   15.608   3.2541   15.244   3.5924   44.214   4.7651   43.589   5.3647 0.6257515 7.175387 
1 1 1   17    5    6 o  180.208   1.9760  255.104   5.5881  256.433   8.8087  254.210   7.2289  180.527   3.1093  179.823   2.5616 0.7036743 4.028631 
1 1 1   17    5    7 o   91.285   2.1431   65.479   3.0701   67.799   4.3667   63.211   4.3172   92.776   3.0032   89.569   3.0760 3.206490 4.298920 
1 1 1   17    5    8 o  148.641   1.8161  173.559   4.2364  173.039   6.0013  174.075   5.9811  148.333   2.5781  148.779   2.5617 -0.4455109 3.634431 
1 1 1   17    5    9 o  124.382   1.8388  121.549   3.5892  126.029   5.2913  117.730   4.8847  126.565   2.6640  122.341   2.5443 4.223152 3.683794 
1 1 1   17    5   10 o  173.277   1.8207  235.920   4.9510  244.846   6.5966  224.404   7.4923  176.438   2.3824  168.830   2.8278 7.607742 3.697667 
1 1 1   17    5   11 o   85.105   1.9869   56.935   2.6537   55.907   3.8966   57.825   3.6239   84.189   2.9539   85.659   2.6992 -1.470619 4.001449 
1 1 1   17    5   12 o   23.024   5.6304   4.3925   2.0171   1.7730   2.8453   7.0395   2.8601   18.177   7.0249   29.098   6.4346 -10.92091 9.526403 
1 1 1   17    5   13 o   61.977   2.3926   30.283   2.3227   30.263   3.3088   30.303   3.2612   61.803   3.4250   61.853   3.3726 -0.5013275E-01 4.806757 
1 1 1   17    5   14 o   65.095   2.4884   33.435   2.5374   31.420   3.6174   35.387   3.5600   62.889   3.6815   66.810   3.4067 -3.921574 5.015870 
1 1 1   17    5   15 o   32.195   4.5039   8.4165   2.2134   8.8213   3.1721   8.0324   3.0899   32.467   6.4532   30.921   6.5706 1.546556 9.209604 
1 1 1   17    5   16 o   82.673   2.2420   53.925   2.9061   57.968   4.0846   49.781   4.1355   85.522   3.0483   79.166   3.3363 6.356247 4.519195 
1 1 1   17    5   17 o   43.006   3.6083   14.822   2.4128   17.744   3.4173   11.918   3.4072   46.754   4.7222   37.835   5.9333 8.918430 7.583122 
1 1 1   17    5   18 o   84.455   2.1957   56.354   2.9076   59.567   4.1271   53.187   4.0970   86.560   3.0429   81.730   3.2005 4.829819 4.416201 
1 1 1   17    5   19 o   27.817   5.0650   6.4764   2.1296   7.2965   3.0360   5.6819   2.9880   28.988   6.7932   25.544   7.1650 3.443621 9.873430 
1 1 1   17    5   20 o   55.856   2.7260   24.847   2.3822   25.072   3.3884   24.627   3.3499   55.683   3.9023   55.187   3.8930 0.4956474 5.512155 
1 1 1   17    5   21 o   24.853   5.5844   5.3262   2.1248   3.5320   3.0091   7.1106   3.0007   20.866   7.3706   28.305   6.8337 -7.439268 10.05112 
1 1 1   17    5   22 o   18.381   6.2225   2.7988   2.1353   2.1777   3.0371   3.4059   3.0028   18.327   7.2073   20.405   7.3459 -2.078875 10.29109 
1 1 1   17    5   23 o   25.777   5.7429   5.9389   2.2636   4.6918   3.3095   7.0353   3.1030   22.485   7.7435   27.300   7.1568 -4.815142 10.54427 
1 1 1   17    5   24 o   11.343   5.3517  -2.0653   2.4844   0.5402   3.6325  -4.3550   3.4053   16.396   7.2313   11.981   5.8110 4.415037 9.276803 
1 1 1   17    5   25 o   16.306   6.1883   2.1818   2.1812   4.4064   3.0930  -0.0191   3.0765   20.978   7.4666   14.540   6.5183 6.438498 9.911540 
1 1 1   17    5   26 o   14.301   5.8872   1.2327   2.1290   4.4014   3.0522  -1.7702   2.9713   20.663   7.4101   12.516   5.8889 8.147613 9.465111 
1 1 1   17    5   27 o   12.227   5.4310   0.0965   2.0845  -1.8101   2.9291   2.0527   2.9670   12.147   5.7548   16.317   6.8519 -4.170525 8.948031 
1 1 1   17    5   28 o   11.533   5.1780   0.0960   1.9490   0.5102   2.8179  -0.2838   2.6986   13.535   6.1371   12.546   5.8052 0.9890537 8.447723 
1 1 1   17    6    0 o  129.159   2.3258  131.111   4.7108  131.111   4.7108  131.111   4.7108  129.159   2.3258  129.159   2.3258 0.000000 0.000000 
1 1 1   17    6    1 o  261.230   1.6241  535.810   6.6582  539.334   9.4474  532.332   9.3851  262.001   2.2977  260.295   2.2976 1.706238 3.249366 
1 1 1   17    6    2 o  148.525   1.5993  173.206   3.7278  175.526   5.2724  170.886   5.2713  149.469   2.2478  147.478   2.2776 1.991287 3.200007 
1 1 1   17    6    3 o  150.476   1.8418  177.828   4.3494  183.454   6.2419  172.518   6.0638  152.770   2.6036  148.146   2.6082 4.624130 3.685310 
1 1 1   17    6    4 o  129.601   1.8784  131.921   3.8204  133.882   5.4117  129.972   5.3940  130.499   2.6425  128.576   2.6733 1.922882 3.758900 
1 1 1   17    6    5 o  115.894   2.3120  105.553   4.2049  101.545   5.6006  110.731   6.3658  113.553   3.1459  118.543   3.4255 -4.990044 4.650879 
1 1 1   17    6    6 o  157.318   1.9892  194.434   4.9110  194.389   7.8061  194.463   6.3180  157.152   3.1653  157.267   2.5600 -0.1150513 4.070912 
1 1 1   17    6    7 o   48.028   3.0941   18.233   2.3197   23.261   3.3040   13.345   3.2575   54.169   3.9131   40.731   5.2159 13.43762 6.520566 
1 1 1   17    6    8 o   66.906   2.3701   35.241   2.4846   33.628   3.4789   36.920   3.5496   65.238   3.4099   68.377   3.3179 -3.138924 4.757711 
1 1 1   17    6    9 o  130.160   1.7632  133.100   3.6015  138.537   5.4607  128.914   4.7914  132.691   2.6224  128.030   2.3847 4.660721 3.544561 
1 1 1   17    6   10 o   87.598   2.0793   60.326   2.8583   59.467   3.7858   61.464   4.3592   86.863   2.7808   88.256   3.1525 -1.392593 4.203693 
1 1 1   17    6   11 o   15.416   5.8765   1.3338   1.9724   0.5543   2.7711   2.1341   2.8079   16.073   6.6758   18.748   7.0419 -2.675667 9.703355 
1 1 1   17    6   12 o  103.556   1.7845   84.291   2.9001   79.306   4.0589   89.489   4.1450  100.321   2.5803  106.616   2.4774 -6.295853 3.577100 
1 1 1   17    6   13 o  132.704   1.6525  138.412   3.4413  142.435   4.9373  134.610   4.7993  134.505   2.3391  130.758   2.3388 3.746460 3.307764 
1 1 1   17    6   14 o   56.232   2.6472   24.992   2.3295   24.236   3.2705   25.770   3.3189   55.162   3.8013   56.902   3.7374 -1.740406 5.330828 
1 1 1   17    6   15 o   33.287   4.1808   8.9548   2.1359   8.8723   3.0257   9.0367   3.0154   32.620   6.1359   32.951   6.0544 -0.3310471 8.620085 
1 1 1   17    6   16 f   59.422   2.7602   27.978   2.5669   29.885   3.6324   26.076   3.6280   61.156   3.8037   57.031   4.0807 4.125118 5.578502 
1 1 1   17    6   17 o   47.234   3.2861   17.811   2.4206   16.476   3.4217   19.148   3.4248   44.937   4.9331   48.616   4.5416 -3.678673 6.705338 
1 1 1   17    6   18 o   28.854   5.3275   6.9759   2.3234   4.8708   3.2861   9.0802   3.2855   24.011   7.7012   32.535   6.6595 -8.523508 10.18119 
1 1 1   17    6   19 o   53.648   3.0620   22.982   2.5672   27.444   3.6792   18.748   3.5839   58.276   4.0483   47.803   4.8442 10.47253 6.313027 
1 1 1   17    6   20 o   28.421   5.2976   6.8365   2.2759   9.6530   3.3729   4.4824   3.0836   33.291   6.6884   22.887   7.4700 10.40484 10.02677 
1 1 1   17    6   21 o   14.925   5.9987   1.0892   2.1487  -0.5743   3.0832   2.6600   2.9961   14.832   6.5957   19.210   7.2612 -4.377984 9.809619 
1 1 1   17    6   22 o   46.147   3.1875   17.219   2.2942   20.251   3.2889   14.346   3.2017   49.498   4.2759   41.183   5.0603 8.315475 6.624967 
1 1 1   17    6   23 o   15.383   6.3052   1.2266   2.4286   1.7920   3.4853   0.6929   3.3858   17.941   7.4721   16.422   7.1169 1.518867 10.31905 
1 1 1   17    6   24 o   16.331   6.3920   1.9748   2.3792   3.2355   3.3593   0.7060   3.3700   19.413   7.5962   16.062   7.0284 3.350510 10.34895 
1 1 1   17    6   25 o   13.067   5.6225   0.4739   2.0835  -2.5687   2.9634   3.4479   2.9298   11.957   5.7001   19.141   7.1924 -7.183574 9.177246 
1 1 1   17    6   26 o   11.751   5.2714  -0.2571   2.0155  -2.2778   2.8866   1.6649   2.8153   11.883   5.6539   15.950   6.6846 -4.066839 8.755003 
1 1 1   17    6   27 o   12.249   5.4192   0.2279   2.0553  -2.6451   3.0012   2.7655   2.8206   11.579   5.5767   17.069   6.8687 -5.489922 8.847511 
1 1 1   17    6   28 o   14.242   5.9588   1.6899   2.2315   2.6863   3.1958   0.7418   3.1173   16.227   6.9725   14.019   6.3950 2.207856 9.461041 
1 1 1   17    7    0 o  299.512   3.3848  705.250   15.905  705.250   15.905  705.250   15.905  299.512   3.3848  299.512   3.3848 0.000000 0.000000 
1 1 1   17    7    1 o   66.329   2.8782   34.663   2.9887   40.826   4.3559   29.180   4.1084   71.882   3.8757   60.674   4.3436 11.20836 5.821309 
1 1 1   17    7    2 o   75.867   2.5985   45.301   3.0891   46.377   4.3882   44.244   4.3495   76.651   3.6586   74.857   3.7141 1.794128 5.213440 
1 1 1   17    7    3 o   81.943   2.3036   52.809   2.9593   54.162   4.2133   51.491   4.1574   82.894   3.2451   80.816   3.2849 2.077728 4.617516 
1 1 1   17    7    4 o   64.492   2.5897   32.753   2.6156   30.308   3.5668   35.599   3.8472   61.914   3.6877   67.122   3.6663 -5.207611 5.200045 
1 1 1   17    7    5 o  159.557   2.0194  200.020   5.0564  201.706   7.0972  198.282   7.2058  160.129   2.8243  158.755   2.8923 1.374710 4.042553 
1 1 1   17    7    6 o   38.080   3.5402   11.524   2.0913   12.182   2.9812   10.886   2.9345   38.927   4.9951   36.718   5.2413 2.208893 7.240346 
1 1 1   17    7    7 o   72.074   2.1294   40.863   2.4058   45.743   3.4379   36.181   3.3678   76.183   2.8808   67.706   3.1785 8.477226 4.289794 
1 1 1   17    7    8 o   76.588   2.0904   46.140   2.5101   48.068   3.5476   44.208   3.5521   78.085   2.9001   74.863   3.0298 3.221977 4.194080 
1 1 1   17    7    9 o   93.076   2.1465   68.112   3.1353   68.848   4.4629   67.394   4.4056   93.434   3.0478   92.442   3.0410 0.9915314 4.305450 
1 1 1   17    7   10 o  125.731   1.6734  124.204   3.3018  122.417   4.6345  126.047   4.7052  124.739   2.3675  126.575   2.3688 -1.835884 3.349058 
1 1 1   17    7   11 o   91.234   1.9101   65.436   2.7348   65.756   3.8435   65.107   3.8922   91.334   2.6845   90.874   2.7324 0.4597473 3.830457 
1 1 1   17    7   12 f  106.190   1.7885   88.644   2.9805   93.571   4.2053   83.670   4.2249  109.012   2.4582  103.027   2.6152 5.985207 3.589154 
1 1 1   17    7   13 o   81.521   2.0791   52.330   2.6577   55.735   3.7342   48.835   3.7833   84.007   2.8366   78.584   3.0738 5.423424 4.182644 
1 1 1   17    7   14 o   21.886   5.9075   3.9922   2.0758   5.5100   2.9667   2.5362   2.9056   25.598   7.1246   19.508   7.1948 6.090221 10.12547 
1 1 1   17    7   15 o   25.431   5.4914   5.4048   2.1273   7.3910   3.0184   3.4446   2.9986   29.543   6.6691   21.272   7.3688 8.271591 9.938606 
1 1 1   17    7   16 o   35.058   4.1097   9.9469   2.2181   5.7929   3.1265   14.157   3.1474   26.028   7.3393   41.670   4.9071 -15.64240 8.828683 
1 1 1   17    7   17 o   44.678   3.2863   15.956   2.2880   16.693   3.2119   15.198   3.2602   45.321   4.5787   43.113   4.9058 2.207710 6.710589 
1 1 1   17    7   18 o   90.868   2.1812   65.232   3.1104   65.350   4.4187   65.117   4.3790   90.580   3.1132   90.428   3.0903 0.1520004 4.386548 
1 1 1   17    7   19 o   62.775   2.7726   31.369   2.7246   30.891   3.8374   31.855   3.8691   61.830   3.9759   62.805   3.9456 -0.9752159 5.601388 
1 1 1   17    7   20 o   32.777   4.8472   8.9618   2.4182   8.2186   3.4637   9.6684   3.3776   30.317   7.3560   33.248   6.7052 -2.930513 9.953383 
1 1 1   17    7   21 o   30.536   5.2205   7.9358   2.4119   6.0992   3.3941   9.8091   3.4279   25.840   7.7540   33.215   6.8054 -7.374928 10.31689 
1 1 1   17    7   22 o   20.854   6.1791   3.8748   2.1660   8.3736   3.1516  -0.1524   2.9819   30.292   6.7973   14.847   6.5499 15.44459 9.439519 
1 1 1   17    7   23 o   20.463   6.7235   3.8547   2.4963   1.6573   3.5072   6.1108   3.5537   17.677   7.4379   24.767   8.0145 -7.089994 10.93406 
1 1 1   17    7   24 o   13.155   5.8447  -0.1011   2.4160  -0.8813   3.4874   0.6190   3.3501   14.581   6.6933   15.833   6.9652 -1.252191 9.659971 
1 1 1   17    7   25 o   19.456   6.3671   3.6663   2.2396   3.6048   3.1955   3.7258   3.1398   19.406   7.4592   19.589   7.4268 -0.1834049 10.52600 
1 1 1   17    7   26 o   23.304   6.0419   5.3348   2.2278   11.045   3.1922  -0.0867   3.1105   33.639   6.2778   14.218   6.4473 19.42149 8.998802 
1 1 1   17    7   27 o   14.086   5.8748   1.4036   2.1588  -4.8286   3.0512   7.6504   3.0548   10.299   5.0960   25.873   7.2401 -15.57335 8.853735 
1 1 1   17    7   28 o   24.450   5.7796   6.3313   2.1824   12.654   3.2070   0.8779   2.9784   34.310   6.1836   13.877   6.2992 20.43268 8.827042 
1 1 1   17    8    0 o  241.009   3.1905  456.705   12.062  456.705   12.062  456.705   12.062  241.009   3.1905  241.009   3.1905 0.000000 0.000000 
1 1 1   17    8    1 o  123.493   2.1387  119.830   4.1448  122.170   5.8694  117.503   5.8538  124.609   3.0015  122.201   3.0525 2.408890 4.280999 
1 1 1   17    8    2 o   77.733   2.4202   47.543   2.9487   47.275   4.1213   47.825   4.2206   77.408   3.4010   77.850   3.4633 -0.4417725 4.853992 
1 1 1   17    8    3 o  106.141   2.0146   88.512   3.3557   84.679   4.7150   92.446   4.7769  103.705   2.9000  108.371   2.8112 -4.666504 4.038944 
1 1 1   17    8    4 o  160.061   1.6744  201.212   4.2059  202.025   5.9559  200.403   5.9403  160.310   2.3675  159.664   2.3708 0.6453552 3.350439 
1 1 1   17    8    5 o   21.492   6.3684   3.7295   2.3008   5.3458   3.4977   2.4968   3.0547   25.777   7.9001   19.912   7.3712 5.864332 10.80488 
1 1 1   17    8    6 o   59.391   2.6354   27.803   2.4501   26.194   3.3990   29.544   3.5349   57.501   3.7879   61.094   3.7044 -3.593563 5.298203 
1 1 1   17    8    7 o  152.387   1.7559  182.436   4.1991  186.579   5.7923  177.847   6.0963  154.025   2.3964  150.350   2.5838 3.675690 3.523972 
1 1 1   17    8    8 f   93.392   2.0334   68.561   2.9802   71.966   4.2515   65.272   4.1788   95.560   2.8382   90.991   2.9303 4.569725 4.079465 
1 1 1   17    8    9 o  169.650   1.8420  226.193   4.9040  234.050   6.4647  215.542   7.5264  172.479   2.3884  165.414   2.8994 7.064850 3.756457 
1 1 1   17    8   10 o  162.593   1.7228  207.750   4.3958  215.460   6.2223  200.068   6.2108  165.466   2.3963  159.429   2.4824 6.037033 3.450297 
1 1 1   17    8   11 o   52.297   2.9160   21.629   2.3837   20.265   3.3205   23.079   3.4239   50.394   4.2380   53.832   4.0834 -3.438347 5.885138 
1 1 1   17    8   12 o   65.346   2.4849   33.685   2.5436   32.937   3.5342   34.488   3.6636   64.444   3.5079   65.940   3.5535 -1.495438 4.993257 
1 1 1   17    8   13 o   37.440   3.8572   11.233   2.2339   12.320   3.0557   9.9860   3.2741   38.934   5.1256   34.692   6.2433 4.241783 8.077821 
1 1 1   17    8   14 f   37.358   3.8046   11.197   2.1994   11.234   3.0663   11.158   3.1565   37.006   5.4423   36.821   5.6421 0.1854286 7.839167 
1 1 1   17    8   15 f   12.144   5.4258  -0.7886   2.1124   1.3973   3.0326  -2.8490   2.9442   17.734   7.1270   12.559   5.8943 5.174999 9.248654 
1 1 1   17    8   16 o   18.477   6.2572   2.6490   2.1592   0.2734   3.0829   4.9361   3.0250   16.192   6.9000   24.160   7.3357 -7.967667 10.07088 
1 1 1   17    8   17 o   32.705   4.4670   8.7619   2.2328   7.8348   3.1940   9.6480   3.1225   30.107   6.9072   33.780   6.1154 -3.673031 9.225343 
1 1 1   17    8   18 o   70.836   2.3823   39.755   2.6444   41.628   3.7714   37.943   3.7089   72.155   3.3397   68.840   3.4442 3.314873 4.797495 
1 1 1   17    8   19 o   38.629   3.9216   12.134   2.3444   9.2385   3.3244   14.998   3.3067   32.558   6.7291   42.530   5.0531 -9.972244 8.415092 
1 1 1   17    8   20 f   19.338   6.4490   3.0960   2.2941   2.3477   3.1530   3.9379   3.3442   18.962   7.3766   21.880   7.7663 -2.918356 10.71120 
1 1 1   17    8   21 o   20.761   6.5680   3.7617   2.3969   4.6876   3.4160   2.8637   3.3641   23.015   7.8691   19.854   7.6477 3.161726 10.97313 
1 1 1   17    8   22 o   20.136   6.5395   3.6234   2.3648   4.1650   3.3781   3.1030   3.3114   21.592   7.7891   19.769   7.5947 1.822989 10.87881 
1 1 1   17    8   23 o   11.659   5.5159  -2.2999   2.6729  -0.1671   3.6511  -4.7629   3.9236   15.742   7.0757   12.877   6.2440 2.864769 9.436805 
1 1 1   17    8   24 o   33.420   5.0731   9.9662   2.5771   10.843   3.7101   9.1483   3.5824   32.773   7.3908   29.752   7.6352 3.021044 10.62639 
1 1 1   17    8   25 o   11.976   5.4607  -0.6361   2.2702   1.9565   3.2643  -3.0646   3.1593   16.959   7.1579   11.965   5.7520 4.994492 9.182660 
1 1 1   17    8   26 o   14.251   5.8681   1.3285   2.1159  -0.3582   3.0402   2.9130   2.9467   13.719   6.2798   17.707   7.0561 -3.988268 9.445861 
1 1 1   17    8   27 o   32.586   4.2816   9.6799   2.1366   6.6506   3.0670   12.536   2.9781   23.320   7.4359   35.631   5.5030 -12.31138 9.250730 
1 1 1   17    9    0 o   66.331   3.2603   34.834   3.3749   34.834   3.3749   34.834   3.3749   66.331   3.2603   66.331   3.2603 0.000000 0.000000 
1 1 1   17    9    1 o  180.978   1.5641  257.212   4.4423  260.872   6.3144  253.625   6.2507  182.186   2.2086  179.637   2.2173 2.549332 3.129583 
1 1 1   17    9    2 o   46.449   3.0258   17.054   2.1936   15.461   3.0583   18.742   3.1481   44.013   4.4908   48.552   4.1722 -4.539429 6.129787 
1 1 1   17    9    3 o   30.487   4.8108   7.5274   2.2254   8.3251   3.0617   6.6338   3.2403   31.801   6.3573   28.282   7.2634 3.519289 9.652528 
1 1 1   17    9    4 o  126.963   1.8073  126.636   3.6009  126.375   5.0237  126.911   5.1640  126.759   2.5254  127.020   2.5907 -0.2606430 3.617918 
1 1 1   17    9    5 o  114.016   1.8970  102.145   3.3943  103.997   4.7585  100.226   4.8430  114.970   2.6374  112.855   2.7346 2.114983 3.799210 
1 1 1   17    9    6 o  215.974   1.7212  366.448   5.8336  363.344   8.1221  369.756   8.3840  214.931   2.4080  216.807   2.4642 -1.875763 3.445387 
1 1 1   17    9    7 o   91.335   2.0247   65.576   2.9021   67.016   4.1884   64.246   4.0248   92.201   2.8983   90.281   2.8444 1.919724 4.060870 
1 1 1   17    9    8 o  184.258   1.6186  266.726   4.6802  271.191   6.6095  262.237   6.6282  185.682   2.2682  182.582   2.3133 3.099945 3.239789 
1 1 1   17    9    9 o   39.916   3.7348   12.698   2.3123   11.864   3.1420   13.685   3.4154   38.245   5.3839   41.116   5.4255 -2.870972 7.643502 
1 1 1   17    9   10 o   64.459   2.5219   32.767   2.5461   37.138   3.6741   28.728   3.5316   68.489   3.4293   60.157   3.7598 8.332294 5.088790 
1 1 1   17    9   11 o   34.953   4.2306   9.8289   2.2734   9.9034   3.1789   9.7509   3.2526   34.662   6.0649   34.337   6.2670 0.3248177 8.721133 
1 1 1   17    9   12 o   49.129   3.0834   19.140   2.3653   17.949   3.3005   20.398   3.3913   47.284   4.5022   50.474   4.3231 -3.190567 6.241673 
1 1 1   17    9   13 o   28.602   5.1801   6.7499   2.2396   5.6884   3.1218   7.8756   3.2147   25.980   7.3364   30.528   6.8760 -4.547729 10.05497 
1 1 1   17    9   14 o   32.348   4.7584   8.5544   2.3434   8.3099   3.3225   8.7964   3.3058   31.263   6.9521   32.239   6.7508 -0.9763546 9.690448 
1 1 1   17    9   15 o   17.118   6.3589   1.9309   2.2770   0.8209   3.1676   3.1176   3.2753   17.141   7.1300   20.916   7.6514 -3.774622 10.45853 
1 1 1   17    9   16 o   32.261   4.8428   8.5767   2.3762   9.1456   3.3575   8.0058   3.3634   32.676   6.7703   30.408   7.1663 2.267584 9.858650 
1 1 1   17    9   17 o   30.606   5.1761   7.8181   2.3975   11.074   3.4287   4.7032   3.3538   36.117   6.2770   23.669   7.7941 12.44855 10.00742 
1 1 1   17    9   18 o   59.283   2.8975   28.019   2.6875   26.480   3.7816   29.589   3.8200   57.111   4.2498   60.478   4.0483 -3.366982 5.869373 
1 1 1   17    9   19 o   13.722   6.1900  -1.0603   2.8229  -2.5550   4.0082   0.4108   3.9764   15.224   7.0552   17.922   7.7397 -2.697286 10.47277 
1 1 1   17    9   20 o   27.814   6.0629   6.7685   2.5715   7.5983   3.6269   5.9298   3.6463   28.724   7.8321   25.514   8.1046 3.210526 11.27063 
1 1 1   17    9   21 o   24.127   6.5970   5.2683   2.5690   4.0466   3.6775   6.4329   3.5904   21.890   8.0905   26.113   8.0043 -4.223766 11.38089 
1 1 1   17    9   22 o   12.450   5.6919  -1.0530   2.4877  -0.9751   3.5845  -1.1254   3.4553   15.042   6.8601   14.644   6.6999 0.3988104 9.589046 
1 1 1   17    9   23 o   24.729   6.5737   5.8833   2.5947   10.511   3.7639   1.6930   3.5817   32.425   7.5401   17.502   7.4471 14.92255 10.59775 
1 1 1   17    9   24 o   25.707   6.6015   6.5255   2.6768   3.7802   3.3888   11.081   4.3651   19.828   7.6656   31.513   8.5922 -11.68471 11.51464 
1 1 1   17    9   25 o   13.543   5.8651   0.5790   2.2965  -1.7859   3.3545   2.6649   3.1504   13.236   6.2370   17.723   7.2129 -4.486522 9.535506 
1 1 1   17    9   26 o   11.941   5.3527  -0.0585   2.0740   1.8880   2.9714  -1.9078   2.8963   15.981   6.7908   11.936   5.6746 4.044368 8.849674 
1 1 1   17    9   27 o   14.216   5.8298   1.7342   2.0774   0.2002   2.9636   3.2161   2.9127   13.349   6.1434   16.965   6.9238 -3.615843 9.256354 
1 1 1   17   10    0 o  111.143   2.5830   97.207   4.4998   97.207   4.4998   97.207   4.4998  111.143   2.5830  111.143   2.5830 0.000000 0.000000 
1 1 1   17   10    1 o  140.039   1.6856  154.046   3.7043  156.219   5.2764  151.934   5.2018  140.947   2.3855  139.000   2.3847 1.946320 3.372999 
1 1 1   17   10    2 o   95.388   1.9325   71.498   2.8929   70.971   4.1037   72.019   4.0786   94.925   2.7578   95.628   2.7206 -0.7037582 3.873866 
1 1 1   17   10    3 o   78.133   2.1742   48.028   2.6632   44.754   3.7598   51.326   3.7730   75.303   3.1888   80.679   2.9851 -5.376457 4.368031 
1 1 1   17   10    4 o   77.344   2.1822   47.069   2.6461   50.185   3.7499   43.979   3.7343   79.769   3.0009   74.640   3.1955 5.128838 4.383677 
1 1 1   17   10    5 o  257.928   1.6612  522.630   6.7238  523.306   9.5369  521.962   9.4812  257.938   2.3560  257.609   2.3453 0.3286438 3.324345 
1 1 1   17   10    6 o  193.119   1.6981  293.022   5.1464  294.193   7.0711  291.704   7.5043  193.391   2.3299  192.539   2.4836 0.8522949 3.405424 
1 1 1   17   10    7 o  186.992   1.7459  274.768   5.1233  273.736   7.2036  275.825   7.2879  186.503   2.4612  187.210   2.4807 -0.7060242 3.494479 
1 1 1   17   10    8 o  127.615   1.8925  128.024   3.7900  130.684   5.3227  125.288   5.3979  128.822   2.6329  126.118   2.7273 2.704330 3.790833 
1 1 1   17   10    9 o  160.493   1.7881  202.475   4.5035  202.410   6.3040  202.543   6.4358  160.329   2.5055  160.370   2.5572 -0.4100037E-01 3.580080 
1 1 1   17   10   10 o  135.135   1.8556  143.593   3.9351  139.872   5.4920  147.519   5.6412  133.230   2.6267  136.824   2.6272 -3.593323 3.715131 
1 1 1   17   10   11 o   31.276   4.8193   7.9718   2.2895   8.0731   3.3114   7.8790   3.1689   30.974   6.9803   30.635   6.7717 0.3385506 9.725264 
1 1 1   17   10   12 f   63.664   2.5372   32.017   2.5298   32.230   3.5649   31.802   3.5905   63.665   3.5826   63.227   3.6339 0.4374123 5.103009 
1 1 1   17   10   13 o   43.355   3.4566   15.002   2.3324   15.074   3.3161   14.932   3.2811   43.070   4.9989   42.872   4.9687 0.1978683 7.048203 
1 1 1   17   10   14 o   14.067   5.8718   0.4244   2.1592  -0.3635   3.0927   1.1737   3.0159   15.463   6.7502   17.337   7.0567 -1.873902 9.765364 
1 1 1   17   10   15 o   27.368   5.5465   6.2962   2.3005   6.5803   3.2669   6.0168   3.2401   27.567   7.3980   26.407   7.4800 1.159477 10.52046 
1 1 1   17   10   16 o   26.221   5.7273   5.8375   2.2906   5.5285   3.2835   6.1304   3.1969   25.301   7.6343   26.532   7.4001 -1.230589 10.63221 
1 1 1   17   10   17 o   76.254   2.5068   46.118   2.9957   47.115   4.2582   45.141   4.2153   76.666   3.5489   75.021   3.5909 1.644981 5.048660 
1 1 1   17   10   18 o   43.026   3.8752   15.020   2.5885   19.614   3.6799   10.520   3.6419   48.776   4.8728   34.682   6.9339 14.09386 8.474862 
1 1 1   17   10   19 o   21.132   7.3301   3.6979   2.9677   4.9352   4.1747   2.4339   4.2194   24.118   8.6642   20.606   8.3617 3.512150 12.04099 
1 1 1   17   10   20 o   23.576   6.1148   4.9202   2.2812   5.9299   3.2490   3.9384   3.2038   25.424   7.5763   21.544   7.6058 3.880148 10.73539 
1 1 1   17   10   21 o   33.970   4.4420   9.7272   2.3113   11.270   3.2910   8.2260   3.2468   35.585   6.1134   29.704   7.0680 5.881359 9.345115 
1 1 1   17   10   22 o   9.7292   4.7010  -2.9479   2.1751  -4.3350   3.0998  -1.6025   3.0528   11.309   5.4987   13.222   6.1375 -1.913074 8.240479 
1 1 1   17   10   23 o   16.117   6.1797   2.0589   2.1896   1.7376   3.2037   2.3406   2.9996   16.900   7.1097   17.515   7.0709 -0.6153164 10.02721 
1 1 1   17   10   24 o   15.099   6.1724   1.5099   2.3195  -2.9958   3.1040   7.2077   3.4905   11.899   5.7153   25.666   7.8968 -13.76713 9.748007 
1 1 1   17   10   25 o   15.746   6.3150   1.9560   2.3758   0.4220   3.5480   3.2030   3.1988   15.356   6.9320   18.380   7.3425 -3.023876 10.09775 
1 1 1   17   10   26 o   16.302   6.4807   2.5602   2.4800   1.3609   3.5256   3.7348   3.4891   15.563   6.9775   18.314   7.5376 -2.750217 10.27132 
1 1 1   17   10   27 o   20.070   6.3301   4.6429   2.2279   4.7460   3.1618   4.5411   3.1398   18.896   7.3767   18.592   7.3231 0.3042183 10.39435 
1 1 1   17   11    0 f   55.221   3.9583   24.372   3.3889   24.372   3.3889   24.372   3.3889   55.221   3.9583   55.221   3.9583 0.000000 0.000000 
1 1 1   17   11    1 o  124.314   1.7353  121.418   3.3853  118.555   4.7607  124.346   4.8147  122.758   2.4713  125.724   2.4403 -2.966232 3.473073 
1 1 1   17   11    2 o   31.381   4.5619   7.9557   2.1808   9.1704   3.0840   6.7407   3.0843   33.415   6.1060   28.454   6.9646 4.961288 9.262232 
1 1 1   17   11    3 o   64.083   2.4430   32.356   2.4523   32.781   3.4782   31.935   3.4580   64.372   3.4558   63.529   3.4819 0.8430901 4.905728 
1 1 1   17   11    4 o  132.823   1.7379  138.622   3.6225  135.844   5.0803  141.495   5.1668  131.392   2.4639  134.098   2.4552 -2.705978 3.478335 
1 1 1   17   11    5 o   97.669   1.9730   74.992   3.0241   72.797   4.2682   77.205   4.2852   96.092   2.8335   98.972   2.7617 -2.880470 3.956753 
1 1 1   17   11    6 o  165.277   1.6568  214.637   4.2973  222.809   6.1778  206.977   5.9815  168.277   2.3394  162.186   2.3501 6.091034 3.315984 
1 1 1   17   11    7 o  171.431   1.6525  230.938   4.4457  229.844   6.2972  232.025   6.2772  170.896   2.3481  171.709   2.3295 -0.8127594 3.307554 
1 1 1   17   11    8 o  186.228   1.6553  272.554   4.8375  276.306   6.8698  268.865   6.8130  187.358   2.3365  184.815   2.3491 2.543259 3.313200 
1 1 1   17   11    9 o  128.070   1.7515  128.948   3.5202  128.172   4.9612  129.736   4.9956  127.560   2.4784  128.336   2.4805 -0.7754974 3.506415 
1 1 1   17   11   10 o   42.027   3.6955   14.097   2.4125   16.780   3.3094   11.055   3.5244   45.663   4.6846   36.526   6.3807 9.137566 7.915726 
1 1 1   17   11   11 o   79.928   2.3257   50.387   2.9141   50.020   4.0865   50.766   4.1567   79.433   3.2853   80.017   3.3174 -0.5831833 4.668916 
1 1 1   17   11   12 o   73.753   2.5197   42.976   2.9120   42.876   4.0868   43.080   4.1504   73.416   3.5578   73.578   3.6055 -0.1613846 5.065295 
1 1 1   17   11   13 o   44.061   3.7441   15.561   2.5643   15.377   3.6423   15.743   3.6109   43.283   5.4854   43.845   5.3593 -0.5618896 7.668880 
1 1 1   17   11   14 o   32.861   5.4799   8.9832   2.7265   10.744   3.8311   7.1759   3.8811   35.401   7.1426   28.690   8.2065 6.711618 10.87945 
1 1 1   17   11   15 o   17.242   6.6438   1.7789   2.5394  -2.3774   3.7142   5.4273   3.4799   14.887   6.8607   25.183   7.9069 -10.29597 10.46842 
1 1 1   17   11   16 o   84.586   2.4581   56.698   3.2595   54.745   4.4428   58.976   4.7966   82.730   3.4295   85.805   3.5700 -3.074631 4.950377 
1 1 1   17   11   17 f   38.356   4.1769   12.011   2.4736   11.002   3.5106   13.007   3.4859   35.739   6.4988   39.244   5.8377 -3.505676 8.735732 
1 1 1   17   11   18 o   21.228   6.4763   3.8779   2.3540   4.0096   3.3264   3.7458   3.3318   22.057   7.7531   21.591   7.7422 0.4659271 10.95681 
1 1 1   17   11   19 o   30.563   5.2443   7.9566   2.4248   8.4052   3.5415   7.5607   3.3268   30.340   7.4850   28.826   7.3368 1.514235 10.48111 
1 1 1   17   11   20 o   24.527   6.0478   5.3663   2.3129   4.3860   3.2714   6.3460   3.2705   22.221   7.6967   26.058   7.5580 -3.836803 10.78718 
1 1 1   17   11   21 o   18.210   6.3778   2.8487   2.2496   1.2502   3.1942   4.4217   3.1687   16.745   7.0748   21.773   7.5731 -5.028242 10.36362 
1 1 1   17   11   22 o   30.363   5.0572   8.1638   2.3250   8.5178   3.3148   7.8210   3.2618   29.340   7.2433   27.996   7.3370 1.344631 10.31009 
1 1 1   17   11   23 o   15.329   6.1332   1.6673   2.2355   3.3734   3.2304   0.0994   3.0967   19.120   7.4585   14.633   6.5514 4.487324 9.927232 
1 1 1   17   11   24 o   25.750   5.7451   6.3149   2.2626   6.7061   3.2196   5.9333   3.1803   24.888   7.5702   23.393   7.5827 1.494846 10.71468 
1 1 1   17   11   25 o   15.629   6.1426   2.0835   2.2048   5.6445   3.0453  -1.8396   3.1963   22.403   7.4290   12.648   5.9980 9.755341 9.548060 
1 1 1   17   11   26 o   16.734   6.3262   2.9890   2.2744  -0.0143   3.2336   5.9296   3.1996   13.606   6.3162   21.433   7.5976 -7.827287 9.880203 
1 1 1   17   12    0 o  141.861   2.4471  158.277   5.4441  158.277   5.4441  158.277   5.4441  141.861   2.4471  141.861   2.4471 0.000000 0.000000 
1 1 1   17   12    1 o   91.827   2.0459   66.299   2.9482   62.080   4.1026   70.804   4.2397   88.711   2.9511   94.762   2.8542 -6.050728 4.105517 
1 1 1   17   12    2 o   52.945   2.9713   22.160   2.4588   24.143   3.4820   20.188   3.4727   55.101   4.0552   50.287   4.4463 4.813522 6.017841 
1 1 1   17   12    3 o  113.546   1.8642  101.341   3.3218  105.074   4.7150   97.663   4.6806  115.522   2.6008  111.363   2.6783 4.159676 3.733248 
1 1 1   17   12    4 o   96.484   1.9779   73.194   2.9948   74.149   4.2548   72.256   4.2160   96.973   2.7988   95.724   2.8096 1.248726 3.965755 
1 1 1   17   12    5 o  147.419   1.7120  170.794   3.9606  170.415   5.5700  171.182   5.6327  147.140   2.4122  147.466   2.4340 -0.3262634 3.426813 
1 1 1   17   12    6 o   42.924   3.5357   14.657   2.3606   12.816   3.3598   16.451   3.3173   39.705   5.5430   45.261   4.7407 -5.555874 7.293774 
1 1 1   17   12    7 f  160.431   1.6782  202.299   4.2251  205.846   6.0188  198.853   5.9325  161.693   2.3720  158.922   2.3788 2.771591 3.359267 
1 1 1   17   12    8 o   90.381   2.0554   64.275   2.9152   63.850   4.1168   64.702   4.1288   89.907   2.9217   90.508   2.9107 -0.6007233 4.124127 
1 1 1   17   12    9 o   40.128   3.7196   12.869   2.3157   10.870   3.2668   14.888   3.2830   36.318   5.9368   42.902   4.9680 -6.584217 7.741241 
1 1 1   17   12   10 f   83.519   2.1754   54.983   2.8488   55.180   3.9879   54.777   4.0711   83.486   3.0489   83.162   3.1250 0.3240891 4.365982 
1 1 1   17   12   11 o   34.962   4.6870   9.9475   2.5069   7.8453   3.5056   12.147   3.5862   30.285   7.4325   38.244   6.1866 -7.958738 9.670331 
1 1 1   17   12   12 o   14.663   6.1588   0.3834   2.3980  -0.2725   3.4143   1.0220   3.3688   16.360   7.1178   17.877   7.3869 -1.517317 10.25815 
1 1 1   17   12   13 o   63.647   2.8607   32.156   2.8500   35.321   4.0733   29.121   3.9891   66.382   3.9277   60.140   4.2542 6.241360 5.790109 
1 1 1   17   12   14 o   41.244   3.8977   13.729   2.4928   14.983   3.5120   12.457   3.5388   42.593   5.3736   38.524   6.0530 4.069702 8.094153 
1 1 1   17   12   15 o   57.632   3.1866   26.531   2.8708   25.562   4.0388   27.521   4.0815   56.017   4.6358   58.196   4.5041 -2.178875 6.463595 
1 1 1   17   12   16 o   69.381   2.7645   38.306   3.0040   38.052   4.2394   38.562   4.2572   68.654   3.9516   69.119   3.9412 -0.4648056 5.581057 
1 1 1   17   12   17 o   77.122   2.6132   47.312   3.1582   43.142   4.3377   52.015   4.6071   73.092   3.7947   80.351   3.6633 -7.258537 5.274436 
1 1 1   17   12   18 o   59.213   3.0940   28.144   2.8651   33.052   4.0728   23.335   4.0313   63.656   4.0989   53.004   4.9021 10.65268 6.389933 
1 1 1   17   12   19 o   16.144   6.4301   1.4910   2.4460  -1.3806   3.3504   4.7680   3.5791   14.507   6.6221   23.157   8.0489 -8.649877 10.42293 
1 1 1   17   12   20 o   11.776   5.4960  -1.8061   2.5002  -5.3646   3.5197   1.8182   3.5521   11.845   5.7816   18.175   7.5543 -6.329920 9.512863 
1 1 1   17   12   21 o   18.756   6.6946   3.1167   2.4882   3.2620   3.4668   2.9623   3.5732   19.690   7.7132   19.340   7.7486 0.3507061 10.93321 
1 1 1   17   12   22 o   30.664   5.3525   8.5207   2.4821   9.6467   3.4733   7.3456   3.5482   30.972   7.2713   26.283   7.9372 4.688604 10.76434 
1 1 1   17   12   23 o   15.667   6.3286   1.7885   2.4045  -1.6975   3.3804   5.3587   3.4209   13.411   6.3011   22.242   7.8586 -8.830810 10.07284 
1 1 1   17   12   24 o   17.971   6.5661   3.1300   2.4109   1.9910   3.4231   4.2512   3.3963   16.890   7.2360   20.026   7.6919 -3.135910 10.56056 
1 1 1   17   12   25 o   18.365   6.7109   3.6379   2.5186   3.5491   3.5743   3.7256   3.5496   18.158   7.5651   18.386   7.5885 -0.2280045 10.71517 
1 1 1   17   12   26 o   12.377   5.6098   0.2965   2.3515  -1.6093   3.4928   1.8765   3.1802   12.522   6.0270   15.091   6.7054 -2.568963 9.015933 
1 1 1   17   13    0 o   9.6991   6.6055  -1.7354   3.0859  -1.7354   3.0859  -1.7354   3.0859   9.6991   6.6055   9.6991   6.6055 0.000000 0.000000 
1 1 1   17   13    1 o   94.648   2.0138   70.448   2.9910   70.502   4.2051   70.394   4.2553   94.538   2.8376   94.459   2.8740 0.7892609E-01 4.038823 
1 1 1   17   13    2 o   19.507   6.3558   2.9589   2.2328   3.0406   3.1809   2.8794   3.1349   20.969   7.5591   20.611   7.4938 0.3581467 10.64412 
1 1 1   17   13    3 o   61.615   2.6163   29.959   2.5240   29.805   3.5376   30.119   3.6024   61.283   3.6955   61.597   3.7443 -0.3138275 5.260908 
1 1 1   17   13    4 o   74.233   2.3504   43.423   2.7346   39.659   3.8262   47.354   3.9097   70.761   3.4561   77.381   3.2267 -6.619934 4.728244 
1 1 1   17   13    5 o   74.298   2.3401   43.504   2.7250   39.719   3.8195   47.427   3.8889   70.806   3.4478   77.435   3.2072 -6.629189 4.708875 
1 1 1   17   13    6 o   93.067   2.0540   68.152   2.9999   69.789   4.2820   66.574   4.2042   94.004   2.9061   91.808   2.9218 2.195763 4.120966 
1 1 1   17   13    7 o   42.093   3.9977   14.183   2.6091   14.701   3.6234   13.625   3.7601   42.481   5.5692   40.732   6.0673 1.749306 8.235840 
1 1 1   17   13    8 o   94.022   2.2186   69.631   3.2736   67.195   4.6048   72.120   4.6547   92.121   3.1900   95.463   3.1112 -3.341370 4.455988 
1 1 1   17   13    9 o   67.412   2.7494   35.948   2.9025   38.913   4.1334   33.064   4.0768   69.895   3.7825   64.338   4.0585 5.557343 5.547827 
1 1 1   17   13   10 o   25.945   6.2637   5.6880   2.5211   7.7512   3.5312   3.5428   3.6006   30.064   7.5076   22.160   8.0350 7.903769 10.99661 
1 1 1   17   13   11 o   15.130   6.1848   0.7908   2.3288  -1.1787   3.3210   2.6964   3.2665   15.134   6.7794   20.209   7.5943 -5.075809 10.18004 
1 1 1   17   13   12 o   19.297   6.5393   2.9096   2.3583   2.3222   3.3681   3.4746   3.3031   19.694   7.6345   21.525   7.7099 -1.830774 10.85025 
1 1 1   17   13   13 o   46.893   3.6485   17.659   2.6638   16.426   3.6429   19.075   3.9050   44.651   5.3023   48.178   5.2498 -3.527077 7.461545 
1 1 1   17   13   14 f   16.795   6.6141   1.5320   2.5608   4.1094   3.6562  -0.9499   3.5879   22.805   8.1178   15.853   7.0781 6.951449 10.77026 
1 1 1   17   13   15 o   74.957   2.6666   44.652   3.1317   44.289   4.4147   45.019   4.4432   74.168   3.8057   74.782   3.7986 -0.6136322 5.377001 
1 1 1   17   13   16 o   70.626   2.7163   39.722   3.0049   44.464   4.2987   35.191   4.2022   74.270   3.6999   65.859   4.0860 8.411415 5.512228 
1 1 1   17   13   17 o   35.295   4.9744   10.438   2.6789   8.9887   3.7355   11.972   3.8440   31.453   7.6438   36.853   6.9002 -5.399328 10.29765 
1 1 1   17   13   18 o   15.826   6.4671   1.1618   2.5452   3.2932   3.5530  -1.0847   3.6477   20.749   7.8924   15.483   7.0055 5.265415 10.55306 
1 1 1   17   13   19 o   15.410   6.4855   0.8370   2.6676  -4.0830   3.6958   6.1878   3.8542   13.077   6.2693   25.366   8.3555 -12.28986 10.44597 
1 1 1   17   13   20 o   16.949   6.6795   2.0395   2.6135   2.7831   3.8006   1.3724   3.5996   19.458   7.9210   17.431   7.4427 2.027222 10.86906 
1 1 1   17   13   21 o   13.252   5.9346  -0.2632   2.5426   3.7032   3.7596  -3.6063   3.4516   20.207   7.9965   12.442   5.9894 7.764632 9.990803 
1 1 1   17   13   22 o   42.506   4.5730   15.824   3.0025   22.121   5.0879   12.459   3.7192   47.190   7.0894   35.414   6.9404 11.77538 9.921122 
1 1 1   17   13   23 o   11.739   5.4414  -1.0629   2.3866  -1.1440   3.4386  -0.9875   3.3151   13.867   6.4629   13.776   6.3951 0.9079075E-01 9.092098 
1 1 1   17   13   24 o   17.248   6.4196   2.9006   2.3227  -1.9039   3.1796   8.3980   3.4012   12.537   5.9562   27.194   7.6503 -14.65670 9.695491 
1 1 1   17   13   25 o   13.844   5.8536   1.4091   2.1895   2.6381   3.1261   0.2257   3.0676   16.292   6.9456   13.574   6.2481 2.717932 9.342410 
1 1 1   17   14    0 o   18.531   9.1686   4.0673   3.2047   4.0673   3.2047   4.0673   3.2047   18.531   9.1686   18.531   9.1686 0.000000 0.000000 
1 1 1   17   14    1 o   43.716   3.5145   15.209   2.3908   17.136   3.3570   13.224   3.4057   46.181   4.6974   40.310   5.5293 5.871017 7.255280 
1 1 1   17   14    2 o   64.270   2.5851   32.603   2.6019   32.856   3.6580   32.345   3.7018   64.333   3.6381   63.815   3.7125 0.5182953 5.197906 
1 1 1   17   14    3 o   66.213   2.7816   34.639   2.8839   32.507   3.9790   36.997   4.1857   63.906   3.9875   68.206   3.9272 -4.300133 5.596642 
1 1 1   17   14    4 o   48.694   3.7710   18.898   2.8592   19.452   3.8961   18.252   4.2089   49.089   5.1334   47.356   5.7835 1.733498 7.733048 
1 1 1   17   14    5 o   62.786   3.0537   31.215   2.9998   29.506   4.1356   33.114   4.3578   60.747   4.3673   64.379   4.3387 -3.631828 6.156101 
1 1 1   17   14    6 o  112.718   2.2000  100.072   3.8916  101.408   5.3984   98.627   5.6152  113.234   3.0407  111.619   3.2090 1.615036 4.420849 
1 1 1   17   14    7 o   18.280   6.6855   2.2621   2.5004   5.2722   3.5145  -0.8228   3.5579   25.269   7.9478   16.179   7.1454 9.090040 10.68757 
1 1 1   17   14    8 f   75.754   2.5343   45.344   3.0085   46.293   4.1921   44.337   4.3203   76.301   3.5104   74.613   3.7012 1.687424 5.101169 
1 1 1   17   14    9 o   37.672   4.5431   11.522   2.6317   12.895   3.7147   10.138   3.7290   39.350   6.2221   34.503   7.1230 4.846512 9.457888 
1 1 1   17   14   10 o   34.751   4.7912   9.8856   2.5434   9.3621   3.5165   10.460   3.6832   33.096   6.9902   35.044   6.9429 -1.947598 9.852257 
1 1 1   17   14   11 o   23.278   6.7090   4.6029   2.5845   6.9031   3.6051   2.1706   3.7072   28.152   7.8606   20.008   7.9333 8.144279 11.16810 
1 1 1   17   14   12 o   59.810   3.0897   28.506   2.8902   28.645   4.0563   28.361   4.1191   59.504   4.3745   59.168   4.4692 0.3359146 6.253816 
1 1 1   17   14   13 f   11.409   5.3689  -2.4393   2.4711  -6.0418   3.5921   0.7976   3.4049   12.019   5.8611   17.436   7.3321 -5.416691 9.386771 
1 1 1   17   14   14 o   71.092   2.6745   40.176   2.9785   37.999   4.3527   42.094   4.0847   68.558   4.0639   72.393   3.6068 -3.834206 5.433627 
1 1 1   17   14   15 o   36.937   4.4467   11.232   2.5258   8.3196   3.6007   14.053   3.5441   30.453   7.5676   40.813   5.6878 -10.35964 9.466770 
1 1 1   17   14   16 o   31.557   5.2002   8.4208   2.4857   9.5193   3.6061   7.4264   3.4310   32.616   7.2348   28.631   7.5351 3.985098 10.44608 
1 1 1   17   14   17 o   18.208   6.5782   2.5789   2.4106   2.4967   3.4296   2.6593   3.3889   19.407   7.6507   19.600   7.6411 -0.1934052 10.81292 
1 1 1   17   14   18 f   19.995   6.8344   3.4508   2.5767   4.6685   3.6797   2.2793   3.6094   22.827   8.1419   19.093   7.7388 3.734476 11.23298 
1 1 1   17   14   19 o   15.250   6.3690   1.0282   2.5425   6.4310   3.6505  -4.0617   3.5432   25.396   8.1140   12.588   6.0615 12.80801 10.12815 
1 1 1   17   14   20 o   13.943   6.0767   0.3257   2.4976   3.5288   3.5844  -2.6969   3.4820   19.980   7.8382   13.177   6.2522 6.802960 10.02637 
1 1 1   17   14   21 o   30.501   5.3111   8.4676   2.4499   8.8598   3.4738   8.0794   3.4555   29.192   7.5326   27.664   7.6853 1.528664 10.76124 
1 1 1   17   14   22 o   15.948   6.6932   1.6614   2.8286   5.4126   3.8039  -2.9785   4.2305   22.011   8.2107   13.976   6.7023 8.035105 10.59893 
1 1 1   17   14   23 o   14.290   6.0994   1.0592   2.4158   2.4186   3.4082  -0.3134   3.4247   17.294   7.3074   14.391   6.6161 2.902970 9.857496 
1 1 1   17   14   24 o   12.430   5.6612  -0.1044   2.4311   1.1266   3.4647  -1.2982   3.4119   15.200   6.8570   13.073   6.1986 2.127668 9.243462 
1 1 1   17   14   25 o   17.058   6.3657   3.3583   2.2868   5.0101   3.3344   1.8914   3.1423   19.024   7.5299   14.985   6.6614 4.038396 10.05354 
1 1 1   17   15    0 o  142.164   3.4805  159.602   7.7545  159.602   7.7545  159.602   7.7545  142.164   3.4805  142.164   3.4805 0.000000 0.000000 
1 1 1   17   15    1 o   29.560   7.1999   7.4002   3.3085   7.6713   4.5662   7.1006   4.8003   30.063   8.9873   29.191   9.3021 0.8722973 12.93451 
1 1 1   17   15    2 o   85.562   2.6444   57.812   3.5465   60.430   5.3485   55.757   4.7378   87.149   3.9208   83.794   3.6114 3.354958 5.330572 
1 1 1   17   15    3 o   53.439   3.3066   22.689   2.7594   25.508   4.0384   20.221   3.7793   56.357   4.6063   50.064   4.8719 6.293217 6.704710 
1 1 1   17   15    4 o   81.125   2.7079   52.015   3.4425   49.180   4.5121   55.965   5.3253   78.643   3.6661   83.781   4.0625 -5.137421 5.472141 
1 1 1   17   15    5 o   49.953   3.5309   19.890   2.7500   20.758   4.0009   19.113   3.7862   50.616   5.1067   48.569   5.0408 2.046661 7.175524 
1 1 1   17   15    6 o   43.173   4.0525   14.975   2.7135   14.141   3.9365   15.729   3.7457   41.283   6.2734   43.819   5.5730 -2.536106 8.391285 
1 1 1   17   15    7 o  107.259   2.2021   90.713   3.7067   89.515   5.1287   92.024   5.3631  106.258   3.0789  107.702   3.1766 -1.444572 4.423853 
1 1 1   17   15    8 f   19.789   6.9898   2.9167   2.7061   5.5396   4.1484   0.9738   3.5703   25.920   8.6726   18.203   7.5706 7.716303 11.51210 
1 1 1   17   15    9 o   48.287   3.6982   18.697   2.7811   16.505   3.9518   20.847   3.9146   44.661   5.7734   50.572   4.9977 -5.911621 7.636072 
1 1 1   17   15   10 o   40.421   4.3753   13.277   2.7311   14.655   3.9393   12.002   3.7898   41.812   6.1903   37.574   6.6716 4.238663 9.101152 
1 1 1   17   15   11 o   28.620   6.1356   6.9963   2.6730   3.2915   3.7985   10.630   3.7620   21.685   8.1806   35.060   7.0817 -13.37439 10.82005 
1 1 1   17   15   12 o   41.173   4.2825   13.811   2.7266   12.529   3.8707   15.073   3.8416   38.209   6.6993   42.349   5.9439 -4.139755 8.956039 
1 1 1   17   15   13 o   56.232   3.3195   25.351   2.9163   26.846   4.1877   23.944   4.0635   57.271   4.7008   53.997   4.8470 3.273617 6.752058 
1 1 1   17   15   14 o   29.858   6.1032   7.7027   2.7631   10.883   4.1880   5.2513   3.6769   34.738   7.8658   24.538   8.1639 10.19999 11.33670 
1 1 1   17   15   15 o   54.609   3.6332   24.127   3.0959   25.501   4.5100   22.903   4.2574   55.259   5.2643   52.353   5.2528 2.905659 7.436714 
1 1 1   17   15   16 o   38.181   4.9706   12.263   2.9076   16.169   4.2507   8.8283   3.9860   42.976   6.5061   30.671   8.1452 12.30436 10.42464 
1 1 1   17   15   17 o   15.850   6.5659   1.0856   2.6707   1.5477   3.7730   0.6217   3.7808   18.405   7.7277   17.339   7.5174 1.066536 10.78092 
1 1 1   17   15   18 f   22.641   6.7331   4.7852   2.5681   6.9012   3.7668   2.9475   3.5104   26.284   8.2226   19.563   7.7315 6.720955 11.28661 
1 1 1   17   15   19 o   30.908   5.4988   8.5882   2.5694   5.1705   3.7278   11.681   3.5462   22.692   8.1828   35.174   6.6685 -12.48186 10.55588 
1 1 1   17   15   20 o   35.189   4.7541   10.906   2.5582   8.4292   3.7746   13.010   3.4792   27.912   8.1266   37.178   6.1803 -9.265293 10.20968 
1 1 1   17   15   21 o   12.086   5.5608  -0.8595   2.4260   0.9310   3.5475  -2.4325   3.3251   16.047   7.1086   12.720   6.0565 3.326875 9.338810 
1 1 1   17   15   22 o   11.352   5.3510  -1.6346   2.4732   3.6196   3.4930  -6.9166   3.5023   19.065   7.6535   10.534   5.2532 8.531289 9.282866 
1 1 1   17   15   23 o   21.719   6.5028   5.0344   2.3891   5.6756   3.4675   4.4549   3.2965   21.586   7.8763   19.691   7.5743 1.894775 10.92732 
1 1 1   17   15   24 o   11.461   5.3259  -0.5335   2.3084   4.5112   3.3837  -4.9257   3.1573   18.588   7.5077   10.215   5.0767 8.372606 9.063033 
1 1 1   17   16    0 o   63.257   3.9529   31.987   3.8884   31.987   3.8884   31.987   3.8884   63.257   3.9529   63.257   3.9529 0.000000 0.000000 
1 1 1   17   16    1 o   20.920   6.5859   3.5552   2.4127   4.2541   3.3670   2.8175   3.4590   23.181   7.8138   20.784   7.8139 2.396992 11.05046 
1 1 1   17   16    2 o   87.410   2.2681   60.284   3.1086   63.600   4.4317   57.073   4.3616   89.553   3.1584   84.791   3.2840 4.762146 4.556338 
1 1 1   17   16    3 o   10.948   5.1889  -2.7530   2.3861  -3.5342   3.2973  -1.8941   3.4573   13.003   6.1440   14.813   6.7483 -1.810013 9.126305 
1 1 1   17   16    4 o   45.682   4.3895   16.839   3.1081   14.639   4.4048   19.019   4.3864   41.695   6.9783   48.055   5.9430 -6.360359 9.165996 
1 1 1   17   16    5 o   54.512   3.3864   23.689   2.8826   26.878   4.1587   20.740   3.9992   57.697   4.6318   50.474   5.1196 7.223049 6.903937 
1 1 1   17   16    6 f   78.809   2.6158   49.163   3.2307   53.143   4.6401   45.419   4.5008   81.615   3.6319   75.372   3.8176 6.242493 5.269268 
1 1 1   17   16    7 o   25.239   6.9362   5.4603   2.8317   6.3836   3.7877   4.2905   4.2638   27.181   8.1991   23.906   8.7324 3.274778 11.97827 
1 1 1   17   16    8 o   44.132   4.6425   15.861   3.1671   18.424   4.6115   13.574   4.3572   46.860   6.4412   39.767   7.2491 7.092968 9.697379 
1 1 1   17   16    9 o   65.786   2.7718   34.378   2.8552   33.472   4.0198   35.300   4.0562   64.492   3.9914   66.266   3.9179 -1.774269 5.593009 
1 1 1   17   16   10 o   41.096   4.1226   13.712   2.6229   10.079   3.6704   17.504   3.7495   34.049   7.0993   46.017   5.2881 -11.96764 8.852369 
1 1 1   17   16   11 o   36.472   5.2113   11.080   2.8980   16.346   4.2945   6.6769   3.9270   43.837   6.4341   27.381   8.3669 16.45555 10.55474 
1 1 1   17   16   12 o   38.416   4.9536   12.245   2.9169   13.497   3.9714   10.778   4.2981   39.569   6.6299   34.560   8.0717 5.008770 10.44549 
1 1 1   17   16   13 o   11.200   5.3558  -3.2858   2.6599  -4.4939   3.7704  -2.0887   3.7531   13.276   6.3562   15.013   6.9106 -1.736721 9.389243 
1 1 1   17   16   14 o   14.964   6.2848   0.6166   2.4968   3.9262   3.6279  -2.3617   3.4415   22.039   8.0542   13.986   6.5007 8.052840 10.35036 
1 1 1   17   16   15 o   15.707   6.3936   1.1744   2.4759  -0.2978   3.5566   2.5588   3.4488   16.079   7.1205   19.505   7.6775 -3.426430 10.47113 
1 1 1   17   16   16 o   39.492   4.2149   12.954   2.5719   15.117   3.6921   10.916   3.5846   41.732   5.7937   34.729   6.8207 7.002693 8.949279 
1 1 1   17   16   17 o   14.641   6.1962   0.7142   2.4569   3.2628   3.4971  -1.7699   3.4526   20.037   7.7760   14.096   6.5379 5.940975 10.15926 
1 1 1   17   16   18 o   41.260   4.6229   14.644   2.9419   13.841   4.0255   15.565   4.3098   38.091   6.9919   40.371   7.0596 -2.279827 9.936009 
1 1 1   17   16   19 o   49.359   3.4828   20.306   2.6804   16.056   3.7791   24.609   3.8024   41.639   5.9526   53.239   4.5960 -11.60068 7.520468 
1 1 1   17   16   20 o   17.465   6.5455   2.7738   2.4232   2.7936   3.4725   2.7549   3.3830   18.216   7.5108   18.097   7.4324 0.1190281 10.56659 
1 1 1   17   16   21 o   32.578   4.9493   9.6473   2.4508   7.1978   3.4734   12.076   3.4586   25.214   7.8971   34.817   6.5709 -9.603155 10.27329 
1 1 1   17   16   22 o   10.872   5.1704  -1.8583   2.4089  -2.1200   3.3254  -1.5693   3.4944   12.623   6.0233   13.317   6.3022 -0.6936703 8.717690 
1 1 1   17   16   23 f   16.532   6.4215   2.9030   2.3865   4.4299   3.3035   1.2363   3.4514   18.785   7.4758   14.965   6.7882 3.820116 10.09783 
1 1 1   17   16   24 o   11.150   5.2807  -0.9614   2.4615  -1.7171   3.4947  -0.2174   3.4678   12.250   5.9288   13.213   6.2606 -0.9630432 8.622402 
1 1 1   17   17    0 o   49.304   4.9195   19.885   3.7128   19.885   3.7128   19.885   3.7128   49.304   4.9195   49.304   4.9195 0.000000 0.000000 
1 1 1   17   17    1 o   11.412   5.3606  -2.4150   2.4444  -2.4438   3.4316  -2.3853   3.4827   14.198   6.5614   14.380   6.6328 -0.1817493 9.329906 
1 1 1   17   17    2 o   19.842   6.6588   3.1046   2.4453   0.6702   3.4079   5.6882   3.5108   17.444   7.3353   25.839   7.9141 -8.395128 10.79066 
1 1 1   17   17    3 o   13.773   6.0249  -0.3638   2.4748   1.1566   3.4486  -1.9780   3.5534   18.153   7.4849   14.902   6.8090 3.251399 10.11861 
1 1 1   17   17    4 o   19.275   6.9677   2.6862   2.7049   5.1743   4.1741   0.8850   3.5516   25.208   8.6958   17.982   7.5202 7.225737 11.49652 
1 1 1   17   17    5 o   43.362   3.9631   15.165   2.6670   12.852   3.7722   17.476   3.7712   39.048   6.3757   46.105   5.3091 -7.056381 8.296740 
1 1 1   17   17    6 o   56.703   3.2637   25.667   2.8919   27.065   4.2168   24.426   3.9736   57.715   4.6963   54.824   4.6628 2.890686 6.617891 
1 1 1   17   17    7 o   46.037   4.3828   17.221   3.1282   16.496   4.1986   18.124   4.6900   44.306   6.2089   46.258   6.6517 -1.952740 9.099158 
1 1 1   17   17    8 o   11.771   5.6268  -3.6591   2.9299  -4.7863   3.9705  -2.3115   4.3414   13.687   6.5448   16.299   7.4769 -2.611908 9.936698 
1 1 1   17   17    9 o   62.097   3.3072   30.867   3.2112   28.250   4.3950   33.864   4.7034   58.753   4.8087   64.424   4.6841 -5.670959 6.713016 
1 1 1   17   17   10 o   20.268   7.1769   3.2183   2.8544   4.3312   4.0225   2.0895   4.0512   23.326   8.4876   20.145   8.1865 3.181221 11.79225 
1 1 1   17   17   11 f   52.680   4.0510   22.552   3.3233   19.404   4.9586   25.119   4.4779   47.352   6.8735   54.989   5.2528 -7.636700 8.650822 
1 1 1   17   17   12 o   13.179   6.0076  -1.3422   2.7452   2.5608   3.9315  -5.0559   3.8350   20.404   8.1438   13.056   6.2919 7.348279 10.29126 
1 1 1   17   17   13 o   54.464   3.6863   24.065   3.1322   25.420   4.2626   22.475   4.6179   55.261   4.9682   51.392   5.8286 3.869083 7.658708 
1 1 1   17   17   14 o   21.159   7.1153   3.8820   2.7920   4.8402   4.0000   2.9716   3.8989   23.505   8.4762   20.614   8.1478 2.890602 11.75729 
1 1 1   17   17   15 o   18.610   6.9334   2.7027   2.7108   6.7814   3.9054  -1.0894   3.7657   26.506   8.3836   15.555   7.0695 10.95121 10.96643 
1 1 1   17   17   16 o   13.999   6.1956  -0.1410   2.6888  -2.0516   3.7994   1.7759   3.8056   14.571   6.7920   18.328   7.7318 -3.756610 10.29131 
1 1 1   17   17   17 o   24.058   6.9027   5.6208   2.7418   10.460   3.9482   1.1138   3.8105   32.141   7.8876   17.241   7.5100 14.90068 10.89101 
1 1 1   17   17   18 o   22.049   7.2982   4.9309   2.9394   2.0310   4.6258   6.8948   3.8068   18.717   8.2110   25.102   8.3054 -6.384848 11.67905 
1 1 1   17   17   19 o   30.403   5.9654   8.8060   2.7445   8.3872   3.8582   9.2349   3.9047   27.205   8.2895   28.696   8.2388 -1.491154 11.68728 
1 1 1   17   17   20 o   17.170   6.7113   2.6470   2.6199  -0.2900   3.7412   5.4732   3.6700   14.998   6.9024   21.933   8.0866 -6.934743 10.63186 
1 1 1   17   17   21 o   10.419   5.0205  -2.5509   2.4397   0.4948   3.6322  -5.0545   3.2931   15.280   6.9440   10.850   5.3549 4.429598 8.768916 
1 1 1   17   17   22 o   18.426   6.6439   3.8045   2.4574   6.4085   3.6656   1.6789   3.3119   21.787   8.0729   15.460   6.8575 6.326470 10.59234 
1 1 1   17   17   23 o   9.9042   4.7951  -2.1088   2.2914  -2.1605   3.2524  -2.0578   3.2289   11.684   5.6698   11.710   5.6749 -0.2673721E-01 8.021916 
1 1 1   17   18    0 o   11.823   7.8962  -1.0593   4.0151  -1.0593   4.0151  -1.0593   4.0151   11.823   7.8962   11.823   7.8962 0.000000 0.000000 
1 1 1   17   18    1 o   35.963   6.1571   10.921   3.3500   7.6761   4.7809   14.050   4.6956   29.425   9.2718   40.179   7.7276 -10.75449 12.06990 
1 1 1   17   18    2 o   39.814   5.3528   13.127   3.2598   10.365   4.6502   15.796   4.5709   34.001   8.6851   42.994   7.0164 -8.993744 11.16512 
1 1 1   17   18    3 o   22.570   7.6098   4.1688   3.1935   3.9768   4.5523   4.3548   4.4811   23.576   8.9416   24.041   8.9225 -0.4649277 12.63188 
1 1 1   17   18    4 f   49.229   4.6654   19.772   3.5613   15.592   5.2710   23.282   4.8306   41.975   8.2962   52.868   5.9242 -10.89274 10.19423 
1 1 1   17   18    5 o   41.558   4.8152   14.187   3.0823   10.198   4.3861   18.079   4.3325   33.725   8.3357   46.399   6.0975 -12.67338 10.32779 
1 1 1   17   18    6 o   37.427   5.2476   11.654   2.9976   7.4865   4.1557   16.174   4.3280   28.878   8.5594   43.591   6.5273 -14.71318 10.76426 
1 1 1   17   18    7 o   57.386   3.9021   26.596   3.4932   23.579   5.0404   29.384   4.8455   52.893   6.1893   59.677   5.2267 -6.784092 8.101014 
1 1 1   17   18    8 o   62.465   3.3657   31.297   3.2870   26.153   4.5961   36.684   4.7030   56.193   5.2736   67.085   4.4931 -10.89285 6.928108 
1 1 1   17   18    9 o   20.789   7.1925   3.5205   2.8565   5.1899   4.0742   1.9064   4.0061   24.627   8.5859   19.747   8.0966 4.879585 11.80136 
1 1 1   17   18   10 o   48.200   4.2410   18.999   3.1753   18.493   4.4859   19.507   4.4951   46.446   6.3182   47.833   6.1289 -1.387142 8.802482 
1 1 1   17   18   11 o   14.853   6.6748  -0.9197   3.2472  -2.4658   4.8771   0.3116   4.3522   16.938   7.8258   18.352   8.0095 -1.413893 11.19800 
1 1 1   17   18   12 o   62.719   3.2881   31.722   3.2250   34.554   4.7542   29.308   4.3893   64.558   4.7254   59.418   4.7468 5.139946 6.697858 
1 1 1   17   18   13 o   16.111   6.6699   1.1160   2.7537   1.1700   3.8850   1.0615   3.9036   18.210   7.7525   18.116   7.7433 0.9453773E-01 10.95722 
1 1 1   17   18   14 f   11.574   5.4900  -2.6523   2.6814  -4.1694   3.8195  -1.1778   3.7653   13.285   6.3704   15.415   7.0304 -2.129726 9.487248 
1 1 1   17   18   15 f   23.298   7.0235   5.1696   2.7801  -0.0541   3.9123   10.497   3.9511   16.452   7.3651   32.669   7.8125 -16.21660 10.73684 
1 1 1   17   18   16 o   17.631   7.0032   2.3647   2.8937  -1.3143   4.0371   6.2519   4.1498   15.306   7.0888   24.295   8.6484 -8.988594 11.18242 
1 1 1   17   18   17 o   26.061   6.9447   6.8110   2.8914   6.9313   4.0499   6.6859   4.1295   24.879   8.5661   24.417   8.6337 0.4620819 12.16216 
1 1 1   17   18   18 o   25.102   7.0345   6.5289   2.8816   4.6510   4.0495   8.4552   4.1013   20.921   8.2927   26.870   8.6020 -5.949224 11.94837 
1 1 1   17   18   19 o   16.743   6.8351   2.2915   2.8396  -2.9093   4.0246   7.4473   4.0072   13.554   6.5096   24.847   8.5221 -11.29368 10.72383 
1 1 1   17   18   20 o   18.622   6.8570   3.5818   2.6373   6.0344   3.8819   1.4791   3.5942   22.206   8.2923   16.217   7.1709 5.989866 10.96286 
1 1 1   17   18   21 o   13.491   5.9851   0.6979   2.5238  -1.9868   3.5847   3.3367   3.5540   12.821   6.1540   17.619   7.4542 -4.797793 9.666262 
1 1 1   17   18   22 o   10.296   4.9923  -2.2693   2.5087  -3.5232   3.6634  -1.1621   3.4424   11.609   5.7135   12.645   6.0592 -1.035975 8.328164 
1 1 1   17   19    0 o   9.2916   6.5187  -3.5836   3.6174  -3.5836   3.6174  -3.5836   3.6174   9.2916   6.5187   9.2916   6.5187 0.000000 0.000000 
1 1 1   17   19    1 f   9.7805   4.8324  -5.7659   2.7090  -9.2202   3.7829  -2.1300   3.8811   10.967   5.4676   15.386   7.0624 -4.419207 8.931491 
1 1 1   17   19    2 o   44.469   4.2158   16.093   2.9069   21.813   4.1673   10.673   4.0567   51.361   5.2438   34.701   7.6552 16.65970 9.278946 
1 1 1   17   19    3 o   34.370   5.4978   9.9335   2.8654   7.6912   4.0399   12.204   4.0649   29.189   8.3802   37.376   7.1913 -8.187670 11.04272 
1 1 1   17   19    4 o   14.433   6.2900  -0.1694   2.6756  -2.2869   3.7644   1.9925   3.8036   14.950   6.8961   19.631   7.9488 -4.680156 10.52328 
1 1 1   17   19    5 o   13.893   6.1619  -0.5886   2.6735  -1.1493   3.8312  -0.0563   3.7326   16.094   7.2396   16.990   7.4163 -0.8962116 10.36407 
1 1 1   17   19    6 o   77.642   2.5579   47.912   3.1124   45.421   4.4322   50.336   4.3717   75.032   3.7763   79.132   3.5293 -4.100044 5.168741 
1 1 1   17   19    7 o   22.950   7.3042   4.5750   2.9605   5.9540   4.2856   3.3163   4.0946   25.910   8.8149   21.716   8.4178 4.193663 12.18860 
1 1 1   17   19    8 o   20.646   6.8591   3.5863   2.5957   2.6555   3.7216   4.4681   3.6222   20.241   7.9728   23.017   8.0904 -2.775583 11.35871 
1 1 1   17   19    9 o   19.536   6.8952   3.0653   2.6330   7.3293   3.7532  -1.0667   3.6947   28.192   8.0722   15.712   7.0851 12.47969 10.74051 
1 1 1   17   19   10 o   23.908   6.7765   5.1135   2.6584   3.7417   3.8212   6.4002   3.7008   21.775   8.2070   26.304   8.1378 -4.528799 11.55766 
1 1 1   17   19   11 o   29.330   6.8118   7.7785   3.0751   2.6737   4.2012   13.670   4.5133   20.534   8.3396   38.487   7.7412 -17.95229 11.37866 
1 1 1   17   19   12 o   31.487   5.6625   8.6605   2.6951   11.293   3.7977   5.9897   3.8253   35.094   7.1390   25.138   8.3259 9.956434 10.96747 
1 1 1   17   19   13 o   20.729   6.8794   3.8877   2.6112   2.2978   3.6413   5.5708   3.7465   18.901   7.7309   24.045   8.2404 -5.144251 11.29916 
1 1 1   17   19   14 o   17.272   6.7086   2.2604   2.6046   1.2327   3.6798   3.2923   3.6872   17.318   7.4620   19.975   7.9146 -2.657511 10.87755 
1 1 1   17   19   15 o   21.748   6.8205   4.6056   2.5900   9.2486   3.6832   0.0635   3.6429   30.033   7.7597   15.758   7.0764 14.27559 10.50183 
1 1 1   17   19   16 o   10.591   5.0884  -2.7077   2.4640  -5.9408   3.4463   0.6730   3.5241   11.017   5.4446   15.931   7.0698 -4.914550 8.923320 
1 1 1   17   19   17 o   18.037   6.7226   3.0764   2.5489   2.6684   3.6073   3.4832   3.6022   18.057   7.5671   19.132   7.7397 -1.074673 10.82422 
1 1 1   17   19   18 o   15.425   6.4640   1.5889   2.6323   2.9961   3.8183   0.3143   3.6338   18.357   7.7443   15.322   6.9563 3.034345 10.40982 
1 1 1   17   19   19 o   13.548   6.0476   0.3180   2.6178   1.2155   3.7217  -0.5609   3.6830   16.051   7.1844   14.424   6.7113 1.626074 9.831477 
1 1 1   17   19   20 o   19.665   6.8328   4.4023   2.5791   4.2189   3.6958   4.5764   3.6009   18.758   7.7429   19.267   7.7581 -0.5084553 10.96083 
1 1 1   17   19   21 o   15.810   6.5090   2.7044   2.6029  -1.8143   3.6566   7.3457   3.7059   12.543   6.0689   22.085   8.1289 -9.542139 10.14445 
1 1 1   17   20    0 o   13.076   8.2590   0.9097   3.6129   0.9097   3.6129   0.9097   3.6129   13.076   8.2590   13.076   8.2590 0.000000 0.000000 
1 1 1   17   20    1 o   31.522   5.6695   8.4724   2.7014   5.5682   3.7687   11.541   3.8742   25.117   8.2618   36.207   7.0721 -11.08992 10.87528 
1 1 1   17   20    2 o   29.321   5.9672   7.4179   2.6522   9.3746   3.7775   5.5156   3.7246   32.288   7.5849   24.993   8.2128 7.294744 11.17948 
1 1 1   17   20    3 o   17.034   6.7017   1.6940   2.6268   0.2658   3.7215   3.1121   3.7083   17.226   7.4635   20.941   8.0389 -3.714378 10.96938 
1 1 1   17   20    4 o   34.456   5.1450   9.9801   2.6969   6.5393   3.8126   13.426   3.8154   26.807   8.2540   39.422   6.3855 -12.61480 10.43565 
1 1 1   17   20    5 o   45.223   3.9191   16.659   2.7539   14.483   3.8356   18.975   3.9563   41.071   6.1392   47.537   5.3990 -6.465435 8.175487 
1 1 1   17   20    6 o   20.157   6.9607   3.3502   2.6748   2.8635   3.7746   3.8412   3.7909   20.537   8.0474   22.032   8.2010 -1.494801 11.48985 
1 1 1   17   20    7 o   40.869   5.2328   14.079   3.2792   17.254   5.0293   11.732   4.3251   43.772   7.5969   35.726   7.9222 8.046066 10.97604 
1 1 1   17   20    8 f   43.113   4.5444   15.440   3.0285   17.612   4.3130   13.327   4.2534   45.014   6.2760   38.403   7.3249 6.611538 9.645853 
1 1 1   17   20    9 o   22.167   7.1200   4.3876   2.8082   2.4785   3.9880   6.2652   3.9549   19.992   8.1231   25.807   8.4620 -5.814960 11.72985 
1 1 1   17   20   10 o   30.195   6.3619   8.1786   2.9193   6.2522   4.0800   10.200   4.1789   25.575   8.6013   32.582   8.1847 -7.006952 11.87317 
1 1 1   17   20   11 o   28.821   7.7371   7.9985   3.5725   7.6851   4.8639   8.3656   5.2644   27.387   9.3891   28.257   9.7648 -0.8704929 13.54648 
1 1 1   17   20   12 o   13.941   6.1869  -0.1676   2.6994   1.2406   3.9203  -1.4371   3.7224   17.772   7.6799   14.849   6.8522 2.922632 10.29240 
1 1 1   17   20   13 o   21.036   6.8777   4.2256   2.6135   2.2689   3.6847   6.2065   3.7075   18.413   7.6770   24.476   8.1989 -6.063080 11.23202 
1 1 1   17   20   14 o   9.5510   4.7342  -5.3163   2.6772  -4.5292   3.8307  -6.0678   3.7432   12.614   6.1285   11.645   5.7397 0.9689207 8.396601 
1 1 1   17   20   15 o   19.093   7.0176   3.5321   2.7603   0.0959   3.8418   7.1988   3.9685   15.730   7.1457   25.049   8.4830 -9.318910 11.09160 
1 1 1   17   20   16 o   14.901   6.3865   1.1260   2.6684  -2.7091   3.8243   4.7651   3.7252   13.386   6.4069   20.884   8.0468 -7.497536 10.28585 
1 1 1   17   20   17 o   18.184   6.7676   3.2765   2.5814   4.8465   3.6602   1.7228   3.6411   20.748   7.9810   16.681   7.3022 4.066498 10.81754 
1 1 1   17   20   18 o   11.484   5.3957  -1.3454   2.4786   0.6968   3.4878  -3.4292   3.5231   15.208   6.8683   12.139   5.8933 3.068414 9.050078 
1 1 1   17   20   19 o   18.090   6.6719   3.6233   2.4986   2.9163   3.5535   4.3146   3.5139   17.054   7.3404   18.843   7.6364 -1.788383 10.59227 
1 1 1   17   20   20 o   22.322   6.6533   5.9616   2.5054   5.4129   3.5269   6.5205   3.5596   19.336   7.7147   20.969   7.9172 -1.632889 11.05440 
1 1 1   17   21    0 o   15.088   8.9757   2.3890   3.7191   2.3890   3.7191   2.3890   3.7191   15.088   8.9757   15.088   8.9757 0.000000 0.000000 
1 1 1   17   21    1 o   12.603   5.8035  -1.5970   2.6504  -0.2038   3.8004  -2.9162   3.6981   16.749   7.3914   14.115   6.6186 2.634218 9.921649 
1 1 1   17   21    2 o   35.718   5.0531   10.748   2.7534   10.589   3.8641   10.912   3.9244   34.190   7.4158   34.713   7.4285 -0.5225868 10.49647 
1 1 1   17   21    3 o   56.970   3.3428   26.195   2.9755   28.607   4.2043   23.774   4.2117   58.837   4.5896   53.295   5.0978 5.542763 6.859449 
1 1 1   17   21    4 o   14.938   6.3723   0.4284   2.6342  -1.4246   3.7805   2.1769   3.6724   15.476   7.0530   19.290   7.8106 -3.813331 10.52380 
1 1 1   17   21    5 o   24.499   6.7878   5.4151   2.6995   4.4771   3.8238   6.3472   3.8117   22.830   8.2799   26.062   8.2872 -3.232273 11.71471 
1 1 1   17   21    6 o   12.705   5.8318  -1.4066   2.6466   0.0734   3.7370  -2.8959   3.7487   16.747   7.3623   14.127   6.6368 2.620310 9.912188 
1 1 1   17   21    7 o   46.307   4.3627   17.819   3.1330   12.582   4.7663   21.803   4.1574   36.082   8.5494   50.607   5.3139 -14.52505 10.06625 
1 1 1   17   21    8 o   31.022   5.9352   8.5191   2.7842   7.2752   3.9769   9.7149   3.8992   27.299   8.4342   31.923   7.8410 -4.624010 11.51600 
1 1 1   17   21    9 o   22.563   6.9488   4.7232   2.7020   2.0189   3.8165   7.4407   3.8258   18.789   7.8218   27.437   8.2321 -8.647774 11.35554 
1 1 1   17   21   10 o   16.429   6.7922   1.4759   2.8502   9.8964   4.1288  -6.1900   3.9395   31.228   8.2884   12.238   6.0034 18.98958 10.23415 
1 1 1   17   21   11 o   12.003   5.6972  -2.5414   2.8970  -1.9976   3.9538  -3.1719   4.2569   14.679   6.8704   14.427   6.8647 0.2514343 9.712138 
1 1 1   17   21   12 o   12.103   5.6804  -1.8186   2.7345  -1.4640   3.8787  -2.1690   3.8557   14.771   6.8774   14.201   6.6901 0.5693722 9.594630 
1 1 1   17   21   13 o   13.704   6.0823   0.1250   2.6096   3.3581   3.7714  -2.8448   3.6145   19.348   7.8852   13.112   6.2629 6.236095 10.06981 
1 1 1   17   21   14 o   16.347   6.6646   2.0447   2.6953   0.0134   3.6763   4.4056   3.9632   15.280   6.9604   20.488   8.1767 -5.207432 10.73804 
1 1 1   17   21   15 o   16.430   6.7194   2.1655   2.7504   6.3930   3.8978  -2.0267   3.8815   23.148   8.3646   13.851   6.5803 9.297024 10.64267 
1 1 1   17   21   16 o   12.241   5.7181  -1.1777   2.7167   3.5424   3.8903  -5.6704   3.7955   18.838   7.8737   11.570   5.7170 7.268019 9.730336 
1 1 1   17   21   17 o   14.446   6.3082   1.0396   2.7028   1.5014   3.8434   0.5877   3.8016   16.249   7.2850   15.371   7.0309 0.8776302 10.12447 
1 1 1   17   21   18 o   11.818   5.5618  -1.0203   2.6534  -4.5385   3.7079   2.6723   3.7986   11.500   5.6766   16.704   7.3798 -5.204282 9.310493 
1 1 1   17   21   19 o   11.337   5.3640  -0.9191   2.5281  -1.0873   3.7136  -0.7738   3.4513   12.951   6.2285   12.841   6.1299 0.1091366 8.738970 
1 1 1   17   22    0 o   19.170   9.9360   4.8375   3.8620   4.8375   3.8620   4.8375   3.8620   19.170   9.9360   19.170   9.9360 0.000000 0.000000 
1 1 1   17   22    1 o   33.845   5.4572   9.8898   2.7999   12.963   3.9876   6.9015   3.9323   37.847   6.9706   26.817   8.4030 11.02986 10.91788 
1 1 1   17   22    2 o   22.016   7.1209   4.3618   2.8056   6.1595   3.9144   2.4626   4.0234   25.468   8.4218   19.896   8.1308 5.571764 11.70630 
1 1 1   17   22    3 o   21.572   7.1706   4.1611   2.8367   2.4570   4.0360   5.8248   3.9878   19.863   8.1334   24.835   8.5020 -4.971951 11.76589 
1 1 1   17   22    4 o   14.410   6.3130  -0.0085   2.7263   0.6130   3.8502  -0.6335   3.8610   17.366   7.5571   16.130   7.2610 1.235840 10.48009 
1 1 1   17   22    5 o   15.413   6.6060   0.5840   2.8550  -1.6520   3.9666   2.9874   4.1125   15.387   7.0906   20.476   8.2746 -5.089227 10.89705 
1 1 1   17   22    6 o   18.826   7.2077   2.7633   2.9756   3.5441   4.2602   2.0195   4.1580   21.200   8.4720   19.212   8.0920 1.987532 11.71563 
1 1 1   17   22    7 o   36.715   5.7568   11.987   3.2080   13.720   4.8234   10.612   4.2959   36.895   8.5048   32.395   8.3857 4.500740 11.94368 
1 1 1   17   22    8 o   13.531   6.0756  -0.4333   2.6842  -0.6705   3.8180  -0.2015   3.7744   15.596   7.0999   15.950   7.1795 -0.3544846 10.09724 
1 1 1   17   22    9 o   12.695   5.8311  -1.0574   2.6519  -3.4235   3.7615   1.2809   3.7394   13.270   6.3519   17.256   7.4789 -3.986700 9.812264 
1 1 1   17   22   10 o   17.767   6.8665   2.6596   2.7184   1.2041   3.8073   4.1733   3.8827   17.059   7.4674   20.810   8.1596 -3.750525 11.06076 
1 1 1   17   22   11 o   12.214   5.7554  -1.8966   2.8566   2.4079   3.7962  -7.5154   4.3372   18.170   7.6965   12.071   5.9908 6.098653 9.753240 
1 1 1   17   22   12 o   26.284   6.8664   7.0707   2.8628   5.9035   3.8974   8.4383   4.2188   22.748   8.3424   26.586   8.7410 -3.838213 12.08306 
1 1 1   17   22   13 o   13.437   6.0958  -0.2111   2.7840   0.9822   3.7866  -1.6151   4.1073   16.185   7.2457   14.510   6.8567 1.674940 9.975687 
1 1 1   17   22   14 o   10.219   5.0554  -5.1215   2.9989  -8.9362   4.3246  -1.5880   4.1621   11.249   5.6431   14.474   6.8580 -3.224466 8.881288 
1 1 1   17   22   15 o   10.458   5.1347  -4.1464   2.9009  -3.3193   4.0804  -4.9917   4.1248   13.164   6.3792   12.385   6.0890 0.7788610 8.818769 
1 1 1   17   22   16 o   14.059   6.3154   0.5859   2.9040   2.7141   4.1224  -1.5106   4.0915   17.389   7.6850   13.999   6.6802 3.390355 10.18258 
1 1 1   17   22   17 o   18.234   7.6178   4.3002   3.6388   5.5867   5.2455   3.1069   5.0521   19.015   8.5190   17.132   7.9329 1.882780 11.64068 
1 1 1   17   22   18 o   11.739   5.6340  -1.3012   3.0023   0.6518   4.4397  -2.9469   4.0753   14.494   6.9281   12.247   6.0275 2.247180 9.183097 
1 1 1   17   23    0 o   14.018   9.3341  -0.0463   5.5381  -0.0463   5.5381  -0.0463   5.5381   14.018   9.3341   14.018   9.3341 0.000000 0.000000 
1 1 1   17   23    1 o   18.879   8.0130   1.9316   4.1291   15.056   5.7357 -12.1866   5.9490   37.359   9.6991   13.591   6.7883 23.76805 11.83865 
1 1 1   17   23    2 o   22.719   8.1999   4.9568   3.7445   8.4346   5.6502   2.2330   5.0003   27.533   10.053   20.116   8.6832 7.416782 13.28389 
1 1 1   17   23    3 o   28.907   8.2087   8.5223   3.8972   5.4149   5.3131   12.141   5.7338   23.626   9.4546   32.545   10.139 -8.918961 13.86340 
1 1 1   17   23    4 o   12.013   5.7830  -3.6633   3.2193  -4.9632   4.4954  -2.2948   4.6125   13.890   6.7227   15.699   7.3710 -1.808818 9.976306 
1 1 1   17   23    5 o   23.738   7.2564   5.5598   2.9534   3.5415   4.2369   7.4674   4.1190   20.532   8.3615   26.431   8.6339 -5.898010 12.01915 
1 1 1   17   23    6 o   27.509   6.8904   7.3841   2.9679   3.7683   4.2965   10.684   4.1046   20.686   8.4215   32.037   8.1470 -11.35142 11.71729 
1 1 1   17   23    7 o   15.016   6.6316   0.3739   3.0645   2.3539   4.8116  -0.9774   3.9750   19.315   8.4261   15.305   7.0691 4.010589 10.99868 
1 1 1   17   23    8 o   16.961   6.8468   2.1938   2.8124  -0.1423   3.9533   4.5874   4.0017   15.826   7.2125   21.209   8.2931 -5.382433 10.99073 
1 1 1   17   23    9 o   12.894   5.9138  -0.7549   2.7140  -1.3234   3.7723  -0.1448   3.9078   14.427   6.7390   15.603   7.1337 -1.176111 9.813415 
1 1 1   17   23   10 o   12.398   5.7770  -1.2472   2.7451  -4.0268   3.8790   1.5417   3.8854   12.725   6.1791   16.984   7.4852 -4.258574 9.706167 
1 1 1   17   23   11 o   16.137   6.7565   1.8839   2.8722   0.5095   3.7707   3.7835   4.4329   15.685   7.1069   19.535   8.2975 -3.850639 10.92510 
1 1 1   17   23   12 o   22.527   6.9052   5.4322   2.6721   3.2220   3.8233   7.5425   3.7359   18.442   7.7632   25.050   8.2250 -6.607906 11.31005 
1 1 1   17   23   13 o   12.172   5.6702  -1.0143   2.6418   0.4244   3.7230  -2.4735   3.7494   15.283   6.9780   13.141   6.3041 2.141601 9.403884 
1 1 1   17   23   14 o   11.657   5.5366  -1.7323   2.7441  -1.0268   3.9344  -2.4006   3.8291   14.216   6.7155   13.161   6.3283 1.055097 9.227414 
1 1 1   17   23   15 o   16.355   6.7322   2.6614   2.7836   3.3484   3.9824   2.0050   3.8925   17.567   7.6645   16.196   7.2905 1.371235 10.57813 
1 1 1   17   23   16 f   10.897   5.2538  -1.9117   2.6804  -9.1699   3.7701   5.5067   3.8115   9.6537   4.8937   19.189   7.8859 -9.535493 9.280931 
1 1 1   17   23   17 o   8.6983   4.3540  -4.7815   2.5080  -5.0399   3.5351  -4.5196   3.5587   10.474   5.2316   10.724   5.3396 -0.2505426 7.475396 
1 1 1   17   24    0 o   10.672   7.3179  -1.5507   3.9321  -1.5507   3.9321  -1.5507   3.9321   10.672   7.3179   10.672   7.3179 0.000000 0.000000 
1 1 1   17   24    1 o   16.881   6.8470   2.0660   2.8276   2.4434   3.9882   1.6846   4.0096   18.615   7.8870   17.792   7.7276 0.8226547 11.04172 
1 1 1   17   24    2 o   25.391   6.9554   6.4507   2.8528   0.1124   4.0332   12.796   4.0356   16.252   7.3586   35.615   7.4600 -19.36214 10.47854 
1 1 1   17   24    3 o   20.052   7.5778   3.8953   3.2627   2.5582   4.6769   5.1630   4.5539   19.213   8.3452   22.097   8.7826 -2.883896 12.11513 
1 1 1   17   24    4 o   19.166   7.2420   3.4750   2.9796   3.4730   4.1761   3.4771   4.2526   19.753   8.1991   19.800   8.2508 -0.4747772E-01 11.63183 
1 1 1   17   24    5 o   27.701   7.0051   7.8026   3.0466   5.0812   4.3546   10.412   4.2639   21.690   8.5988   30.292   8.5810 -8.602390 12.14795 
1 1 1   17   24    6 o   17.845   7.1179   2.7909   3.0014   3.5019   4.2749   2.0998   4.2151   19.549   8.2178   17.992   7.8668 1.557262 11.37622 
1 1 1   17   24    7 o   12.766   6.1230  -2.8632   3.5329  -0.0171   5.0308  -5.6326   4.9625   16.883   7.8513   13.703   6.7251 3.180390 10.33781 
1 1 1   17   24    8 o   19.540   7.2492   3.9669   2.9574   4.6620   4.1801   3.2702   4.1848   20.546   8.3280   18.882   8.0426 1.663727 11.57752 
1 1 1   17   24    9 o   16.445   6.9974   1.9598   3.1623  -1.3767   4.4381   5.4008   4.5070   15.008   7.1024   21.232   8.6323 -6.224057 11.17860 
1 1 1   17   24   10 o   14.773   6.5115   0.8994   2.9411  -0.2327   4.1518   2.0397   4.1668   15.334   7.1316   17.289   7.6790 -1.954594 10.47982 
1 1 1   17   24   11 o   19.159   7.2536   3.9821   2.9927   1.4533   4.2566   6.4539   4.2084   16.687   7.5570   22.344   8.5674 -5.657381 11.42404 
1 1 1   17   24   12 o   22.630   6.9954   5.7367   2.7353   7.7742   3.8854   3.7345   3.8515   24.463   8.3915   18.558   7.8007 5.904766 11.45725 
1 1 1   17   24   13 o   12.508   5.7496  -0.2531   2.5851   1.7100   3.6708  -2.1844   3.6411   15.861   7.1146   12.768   6.1475 3.092908 9.402605 
1 1 1   17   24   14 o   12.933   5.8775   0.4338   2.6026   1.5788   3.7269  -0.6561   3.6360   15.191   6.9533   13.360   6.3532 1.831288 9.418727 
1 1 1   17   24   15 o   10.278   4.9935  -2.1978   2.5418  -1.4074   3.6091  -2.9756   3.5804   12.460   6.0290   11.561   5.6819 0.8988380 8.284456 
1 1 1   17   24   16 o   18.481   6.7971   4.6996   2.5902   2.7018   3.6983   6.6230   3.6288   15.171   6.9376   19.697   7.8364 -4.525995 10.46612 
1 1 1   17   25    0 o   20.933   10.275   6.5645   4.0111   6.5645   4.0111   6.5645   4.0111   20.933   10.275   20.933   10.275 0.000000 0.000000 
1 1 1   17   25    1 o   11.485   5.4871  -2.3780   2.7784  -3.7675   3.9225  -0.9789   3.9360   12.893   6.2496   14.737   6.8837 -1.844045 9.297494 
1 1 1   17   25    2 o   15.399   6.5799   1.3751   2.8170   1.7738   3.9907   0.9791   3.9771   17.191   7.5810   16.408   7.3791 0.7829418 10.57936 
1 1 1   17   25    3 o   17.174   7.1374   2.4256   3.1703   3.7314   4.9650   1.5268   4.1193   19.663   8.5689   17.022   7.5930 2.641550 11.44902 
1 1 1   17   25    4 f   12.072   5.7323  -2.0050   2.9385  -2.0231   4.2349  -1.9883   4.0808   14.354   6.8345   14.145   6.7279 0.2083654 9.590360 
1 1 1   17   25    5 o   12.848   5.9984  -1.1347   2.9832  -0.9458   4.2532  -1.3177   4.1853   15.043   7.0678   14.694   6.9368 0.3491001 9.903164 
1 1 1   17   25    6 o   13.149   6.1167  -0.8976   3.0566   0.8447   4.1695  -2.9219   4.4942   16.243   7.4042   14.081   6.7921 2.162309 10.04761 
1 1 1   17   25    7 o   13.094   6.1036  -0.9339   3.0692  -2.4682   3.9172   1.5053   4.9392   13.423   6.4404   17.355   7.9664 -3.931952 10.24417 
1 1 1   17   25    8 o   14.441   6.4161   0.7348   2.9113   3.7524   4.1209  -2.2721   4.1135   18.880   8.0089   13.784   6.6100 5.095712 10.38432 
1 1 1   17   25    9 o   10.118   5.0038  -4.7885   2.9298  -6.3859   4.0236  -2.9859   4.2744   11.513   5.7233   13.517   6.5453 -2.003532 8.694627 
1 1 1   17   25   10 o   15.145   6.6419   1.4170   3.0248  -1.4130   4.1236   4.7138   4.4506   14.090   6.7188   19.496   8.2987 -5.405996 10.67755 
1 1 1   17   25   11 o   13.150   6.1294  -0.4105   3.0935   2.1654   4.4412  -2.8382   4.3114   16.644   7.6079   13.272   6.4605 3.372550 9.980859 
1 1 1   17   25   12 o   15.429   6.7478   2.2127   3.1029   0.4190   4.3335   4.1002   4.4451   14.740   6.9883   17.617   7.8710 -2.876548 10.52569 
1 1 1   17   25   13 o   13.841   6.3679   1.0553   3.1810   2.6256   4.3650  -0.7232   4.6454   15.737   7.3167   13.848   6.7331 1.888743 9.943242 
1 1 1   17   25   14 o   15.798   6.9233   3.3133   3.2808   6.3997   4.6840   0.3405   4.5969   18.082   8.0792   13.952   6.7635 4.130083 10.53653 
1 1 1   17   26    0 o   7.9092   5.7985 -10.0323   4.6823 -10.0323   4.6823 -10.0323   4.6823   7.9092   5.7985   7.9092   5.7985 0.000000 0.000000 
1 1 1   17   26    1 o   17.774   7.1961   3.1251   3.1170   1.7757   4.3796   4.5101   4.4371   17.044   7.6973   19.765   8.3439 -2.720884 11.35206 
1 1 1   17   26    2 o   9.5175   4.7656  -6.5632   3.0161  -5.2675   4.3141  -7.8021   4.2183   12.522   6.1700   11.348   5.6754 1.173384 8.383261 
1 1 1   17   26    3 o   11.234   5.4484  -3.1257   2.9911   0.5008   4.1637  -6.9927   4.2995   15.739   7.2572   11.770   5.8617 3.969035 9.328771 
1 1 1   17   26    4 o   15.951   6.6953   2.0474   2.8310   3.7069   4.0377   0.4427   3.9705   18.685   7.9269   15.441   7.1078 3.244170 10.64691 
1 1 1   17   26    5 o   15.466   6.5811   1.7606   2.7974  -1.2841   3.9239   4.9078   3.9893   14.029   6.6508   20.065   8.1348 -6.035457 10.50751 
1 1 1   17   26    6 o   15.159   6.4914   1.6248   2.7524  -0.4716   3.8800   3.7485   3.9051   14.472   6.7841   18.490   7.8178 -4.017532 10.35095 
1 1 1   17   26    7 o   10.607   5.1548  -2.9568   2.7138  -5.9507   3.7797   0.2288   3.8989   11.147   5.5424   14.910   6.9264 -3.763074 8.870915 
1 1 1   17   26    8 o   12.079   5.6631  -0.8935   2.7056   3.7246   3.8338  -5.4758   3.8189   17.984   7.6800   11.314   5.6160 6.669977 9.514259 
1 1 1   17   26    9 o   11.417   5.4344  -1.4006   2.6730  -1.2979   3.8261  -1.4985   3.7358   13.281   6.3702   13.040   6.2650 0.2411070 8.934771 
1 1 1   17   26   10 o   11.650   5.5159  -0.8855   2.6830   4.6535   3.8434  -6.1500   3.7470   17.977   7.6837   10.568   5.2945 7.409052 9.331234 
1 1 1   17   26   11 o   13.499   6.0897   1.2155   2.7328   2.0920   3.8886   0.3601   3.8413   15.016   6.9553   13.716   6.5247 1.300044 9.536654 
1 1 1   17   26   12 o   9.2020   4.5799  -3.9826   2.6077  -3.5898   3.6439  -4.3949   3.7334   11.088   5.5006   10.868   5.4203 0.2197990 7.722395 
1 1 1   17   27    0 f   16.213   9.4811   4.5078   4.0268   4.5078   4.0268   4.5078   4.0268   16.213   9.4811   16.213   9.4811 0.000000 0.000000 
1 1 1   17   27    1 o   20.105   7.0884   4.7619   2.7820   0.1119   3.8974   9.5925   3.9723   14.686   6.8567   26.725   8.4554 -12.03899 10.88616 
1 1 1   17   27    2 o   12.986   5.9706  -0.0976   2.7895  -5.8073   3.9498   5.5844   3.9402   11.401   5.6679   20.314   8.1376 -8.913291 9.916895 
1 1 1   17   27    3 o   14.000   6.2326   0.9331   2.7610  -2.3426   3.8675   4.3376   3.9428   12.917   6.2479   18.613   7.8620 -5.696186 10.04227 
1 1 1   17   27    4 o   13.165   6.0280   0.1858   2.8043   0.1515   3.9320   0.2214   4.0007   14.523   6.8148   14.643   6.8719 -0.1194553 9.678039 
1 1 1   17   27    5 o   10.663   5.1790  -2.5780   2.7301  -4.0683   3.7907  -0.9718   3.9353   11.703   5.7700   13.595   6.5049 -1.891973 8.695233 
1 1 1   17   27    6 o   9.1244   4.5628  -5.2197   2.7239  -5.8338   3.8500  -4.6041   3.8545   10.915   5.4531   11.422   5.6651 -0.5075359 7.863175 
1 1 1   17   27    7 o   13.588   6.1282   1.1104   2.7650   0.4317   3.8933   1.8010   3.9275   14.020   6.6401   15.057   6.9797 -1.036666 9.633668 
1 1 1   17   27    8 o   15.120   6.6405   2.5222   3.0332   4.3190   4.3178   0.7716   4.2620   16.842   7.6209   14.232   6.7987 2.610432 10.21277 
1 1 1   17   27    9 o   14.250   6.3806   2.0167   2.9379   0.9303   4.2414   3.0186   4.0733   14.030   6.7235   15.415   7.1327 -1.385669 9.802105 
1 1 1   17   27   10 o   18.041   7.0838   4.9854   2.9298   5.1332   4.1081   4.8325   4.1796   16.924   7.5637   16.605   7.5073 0.3183918 10.65682 
1 1 1   17   28    0 f   9.0878   6.4541  -2.5754   3.9164  -2.5754   3.9164  -2.5754   3.9164   9.0878   6.4541   9.0878   6.4541 0.000000 0.000000 
1 1 1   17   28    1 o   12.342   5.7752  -0.0113   2.7908  -5.9379   3.9245   6.0525   3.9696   10.722   5.3785   18.893   7.9291 -8.170879 9.581116 
1 1 1   17   28    2 o   11.079   5.3423  -1.5399   2.7746  -3.1625   3.9315   0.0701   3.9163   11.815   5.8348   13.530   6.4778 -1.714440 8.718219 
1 1 1   17   28    3 o   11.177   5.3800  -1.3670   2.7849   1.0938   3.9854  -3.7150   3.8930   14.171   6.7134   11.473   5.6908 2.697586 8.800848 
1 1 1   17   28    4 o   11.957   5.6399  -0.2196   2.7558   1.3774   3.8529  -1.8924   3.9432   14.176   6.6810   12.292   6.0251 1.883337 8.996515 
1 1 1   17   28    5 o   13.175   6.0145   1.1799   2.7645   1.4581   3.9491   0.9126   3.8711   14.128   6.6902   13.719   6.5331 0.4085894 9.350912 
1 1 1   17   28    6 o   11.876   5.6482  -0.2847   2.8755   4.9611   3.9848  -5.9842   4.1536   16.813   7.4859   10.719   5.3974 6.094226 9.228830 
1 1 1   17   28    7 o   9.0826   4.5630  -5.1750   2.8792  -2.6740   4.0336  -7.7731   4.1112   11.738   5.8172   10.078   5.1090 1.660110 7.742189 
1 1 1   18    0    0 o  344.850   5.0584  935.259   27.362  935.259   27.362  935.259   27.362  344.850   5.0584  344.850   5.0584 0.000000 0.000000 
1 1 1   18    0    1 o  117.258   2.8458  108.189   5.2297  108.189   5.2297  108.189   5.2297  117.258   2.8458  117.258   2.8458 0.000000 0.000000 
1 1 1   18    0    2 o  255.324   2.6241  512.144   10.512  512.144   10.512  512.144   10.512  255.324   2.6241  255.324   2.6241 0.000000 0.000000 
1 1 1   18    0    3 o   60.886   3.9491   29.514   3.7364   29.514   3.7364   29.514   3.7364   60.886   3.9491   60.886   3.9491 0.000000 0.000000 
1 1 1   18    0    4 o   84.449   3.1719   56.274   4.1901   56.274   4.1901   56.274   4.1901   84.449   3.1719   84.449   3.1719 0.000000 0.000000 
1 1 1   18    0    5 o  203.171   2.2085  324.246   7.0396  324.246   7.0396  324.246   7.0396  203.171   2.2085  203.171   2.2085 0.000000 0.000000 
1 1 1   18    0    6 o  314.513   2.4267  777.041   11.976  777.041   11.976  777.041   11.976  314.513   2.4267  314.513   2.4267 0.000000 0.000000 
1 1 1   18    0    7 o   10.383   6.8175  -0.4488   2.7934  -0.4488   2.7934  -0.4488   2.7934   10.383   6.8175   10.383   6.8175 0.000000 0.000000 
1 1 1   18    0    8 o  101.224   2.5262   80.645   4.0072   80.645   4.0072   80.645   4.0072  101.224   2.5262  101.224   2.5262 0.000000 0.000000 
1 1 1   18    0    9 o  245.818   2.2700  474.764   8.7550  474.764   8.7550  474.764   8.7550  245.818   2.2700  245.818   2.2700 0.000000 0.000000 
1 1 1   18    0   10 o   14.480   8.1526   2.2364   2.8162   2.2364   2.8162   2.2364   2.8162   14.480   8.1526   14.480   8.1526 0.000000 0.000000 
1 1 1   18    0   11 o   55.960   3.5325   24.939   3.0735   24.939   3.0735   24.939   3.0735   55.960   3.5325   55.960   3.5325 0.000000 0.000000 
1 1 1   18    0   12 o   34.768   5.6898   10.286   2.8549   10.286   2.8549   10.286   2.8549   34.768   5.6898   34.768   5.6898 0.000000 0.000000 
1 1 1   18    0   13 o   34.198   5.8481   10.026   2.8632   10.026   2.8632   10.026   2.8632   34.198   5.8481   34.198   5.8481 0.000000 0.000000 
1 1 1   18    0   14 o  199.528   2.2357  313.084   6.9986  313.084   6.9986  313.084   6.9986  199.528   2.2357  199.528   2.2357 0.000000 0.000000 
1 1 1   18    0   15 o   24.458   8.4293   6.2262   2.9124   6.2262   2.9124   6.2262   2.9124   24.458   8.4293   24.458   8.4293 0.000000 0.000000 
1 1 1   18    0   16 o   29.858   7.4696   8.3295   3.0277   8.3295   3.0277   8.3295   3.0277   29.858   7.4696   29.858   7.4696 0.000000 0.000000 
1 1 1   18    0   17 o   38.513   5.4928   12.514   3.1247   12.514   3.1247   12.514   3.1247   38.513   5.4928   38.513   5.4928 0.000000 0.000000 
1 1 1   18    0   18 o   13.926   8.1334   1.9833   2.9569   1.9833   2.9569   1.9833   2.9569   13.926   8.1334   13.926   8.1334 0.000000 0.000000 
1 1 1   18    0   19 o   15.854   8.6146   2.9985   3.0201   2.9985   3.0201   2.9985   3.0201   15.854   8.6146   15.854   8.6146 0.000000 0.000000 
1 1 1   18    0   20 o   33.784   6.7518   10.244   3.1767   10.244   3.1767   10.244   3.1767   33.784   6.7518   33.784   6.7518 0.000000 0.000000 
1 1 1   18    0   21 o   52.826   4.1058   22.672   3.3551   22.672   3.3551   22.672   3.3551   52.826   4.1058   52.826   4.1058 0.000000 0.000000 
1 1 1   18    0   22 o   13.482   8.0434   1.8738   3.0029   1.8738   3.0029   1.8738   3.0029   13.482   8.0434   13.482   8.0434 0.000000 0.000000 
1 1 1   18    0   23 o   15.049   8.7505   2.7670   3.3983   2.7670   3.3983   2.7670   3.3983   15.049   8.7505   15.049   8.7505 0.000000 0.000000 
1 1 1   18    0   24 o   14.316   8.5261   2.4698   3.3629   2.4698   3.3629   2.4698   3.3629   14.316   8.5261   14.316   8.5261 0.000000 0.000000 
1 1 1   18    0   25 o   32.952   7.9278   10.852   3.5549   10.852   3.5549   10.852   3.5549   32.952   7.9278   32.952   7.9278 0.000000 0.000000 
1 1 1   18    0   26 o   12.842   7.8601   1.8666   3.0233   1.8666   3.0233   1.8666   3.0233   12.842   7.8601   12.842   7.8601 0.000000 0.000000 
1 1 1   18    0   27 o   14.847   8.2851   3.2825   2.8765   3.2825   2.8765   3.2825   2.8765   14.847   8.2851   14.847   8.2851 0.000000 0.000000 
1 1 1   18    0   28 o   15.086   8.3477   3.6631   2.8914   3.6631   2.8914   3.6631   2.8914   15.086   8.3477   15.086   8.3477 0.000000 0.000000 
1 1 1   18    1    0 o  106.434   4.1038   89.476   6.8313   89.476   6.8313   89.476   6.8313  106.434   4.1038  106.434   4.1038 0.000000 0.000000 
1 1 1   18    1    1 o  241.762   1.9462  459.071   7.3839  460.641   10.926  457.752   10.018  242.033   2.8765  241.313   2.6454 0.7200165 3.908017 
1 1 1   18    1    2 o   56.423   2.9187   25.103   2.5756   26.221   3.6764   24.026   3.6094   57.535   4.0986   55.047   4.2102 2.488037 5.875740 
1 1 1   18    1    3 f  100.124   2.0765   78.753   3.2626   78.303   4.6122   79.205   4.6160   99.734   2.9501  100.309   2.9355 -0.5751495 4.161748 
1 1 1   18    1    4 o   51.594   3.1611   21.025   2.5472   22.022   3.6541   20.082   3.5525   52.640   4.4655   50.238   4.5556 2.402344 6.379143 
1 1 1   18    1    5 o  175.637   1.5606  242.231   4.3015  240.741   6.0672  243.738   6.0996  175.031   2.2088  176.117   2.2069 -1.086197 3.122432 
1 1 1   18    1    6 o  140.868   1.6007  155.835   3.5385  157.523   5.0252  154.176   4.9835  141.570   2.2619  140.057   2.2674 1.512894 3.202662 
1 1 1   18    1    7 o  262.634   1.6259  541.727   6.7013  538.349   9.4401  545.159   9.5145  261.693   2.2987  263.341   2.3023 -1.648926 3.253378 
1 1 1   18    1    8 o  140.127   1.6001  154.222   3.5186  154.627   4.9805  153.819   4.9716  140.242   2.2630  139.875   2.2649 0.3672180 3.201732 
1 1 1   18    1    9 o   85.772   1.9284   57.815   2.5957   56.671   3.6598   58.972   3.6821   84.807   2.7536   86.519   2.7153 -1.711494 3.867181 
1 1 1   18    1   10 o  140.060   1.7244  154.132   3.7902  158.808   5.8419  150.734   4.9807  142.043   2.6208  138.436   2.2927 3.607193 3.482061 
1 1 1   18    1   11 o   62.850   2.2838   31.116   2.2488   31.965   3.1835   30.270   3.1770   63.584   3.2007   61.859   3.2845 1.725235 4.586128 
1 1 1   18    1   12 o   55.132   2.5406   23.986   2.1922   26.289   3.1348   21.781   3.0669   57.585   3.4852   52.351   3.7581 5.234337 5.125437 
1 1 1   18    1   13 o   95.315   1.8471   71.441   2.7629   68.420   3.8633   74.603   3.9528   93.134   2.6460   97.265   2.5919 -4.130829 3.703964 
1 1 1   18    1   14 o   33.909   3.9810   9.2499   2.0781   9.5458   2.9528   8.9596   2.9251   34.029   5.7328   32.905   5.8805 1.124115 8.212526 
1 1 1   18    1   15 o  108.286   1.7966   92.270   3.0531   91.239   4.3103   93.309   4.3252  107.523   2.5545  108.740   2.5346 -1.217567 3.598538 
1 1 1   18    1   16 o   57.758   2.5794   26.408   2.3321   26.758   3.3100   26.064   3.2863   57.882   3.6628   57.118   3.6859 0.7645912 5.196347 
1 1 1   18    1   17 o   36.259   3.9301   10.622   2.2006   8.5188   3.1040   12.748   3.1201   31.653   6.4675   39.376   5.1745 -7.722391 8.282779 
1 1 1   18    1   18 o   31.856   4.5115   8.3325   2.1924   8.2027   3.0589   8.4697   3.1437   30.931   6.5083   31.414   6.5878 -0.4823704 9.260454 
1 1 1   18    1   19 o   45.705   3.2391   16.740   2.3082   14.195   3.1997   19.502   3.3330   41.455   5.0206   48.942   4.3860 -7.486931 6.666600 
1 1 1   18    1   20 o   45.731   3.4943   16.859   2.4887   14.339   3.2669   20.344   3.8415   41.514   5.1232   49.600   5.0036 -8.086224 7.161247 
1 1 1   18    1   21 o   17.572   6.2260   2.3993   2.1484   5.4829   3.0820  -0.5154   2.9964   24.709   7.3829   14.683   6.5171 10.02658 9.847826 
1 1 1   18    1   22 o   34.772   4.3755   10.103   2.3349   11.090   3.3215   9.1384   3.2829   35.447   6.1964   31.758   6.7928 3.689535 9.194409 
1 1 1   18    1   23 o   26.390   5.8099   6.2860   2.3408   4.1917   3.2994   8.4086   3.3216   21.393   7.7003   29.676   7.2055 -8.283117 10.54579 
1 1 1   18    1   24 o   17.900   6.5481   2.7891   2.3988   3.2990   3.3923   2.2791   3.3926   19.500   7.6325   18.025   7.4272 1.474434 10.64980 
1 1 1   18    1   25 o   39.747   3.8505   13.397   2.3717   13.936   3.4718   12.924   3.2476   38.734   5.8974   37.467   5.7031 1.266972 8.203897 
1 1 1   18    1   26 o   29.209   5.0652   7.7717   2.2376   5.4424   3.1139   10.259   3.2177   22.501   7.5135   32.193   6.5913 -9.691244 9.994913 
1 1 1   18    1   27 o   17.589   6.0341   3.1379   2.0090   1.2775   2.7968   5.1212   2.8878   14.821   6.4453   21.137   7.2349 -6.315404 9.689480 
1 1 1   18    1   28 o   19.060   6.0670   4.0063   2.0425   4.1781   2.9062   3.8388   2.8710   18.431   7.1059   17.883   7.0151 0.5479012 9.985277 
1 1 1   18    2    0 o  102.476   3.5780   82.838   5.7380   82.838   5.7380   82.838   5.7380  102.476   3.5780  102.476   3.5780 0.000000 0.000000 
1 1 1   18    2    1 o  182.204   2.1932  260.825   6.2712  267.860   8.9463  254.028   8.7932  184.529   3.0894  179.697   3.1182 4.832031 4.389451 
1 1 1   18    2    2 o   92.611   2.3143   67.396   3.3634   67.782   4.7779   67.017   4.7356   92.750   3.2878   92.225   3.2772 0.5242081 4.642203 
1 1 1   18    2    3 o  132.820   1.8784  138.559   3.9153  135.236   5.5169  141.931   5.5576  131.151   2.6805  134.362   2.6357 -3.211441 3.759290 
1 1 1   18    2    4 o   91.902   1.9176   66.343   2.7656   71.792   4.0810   61.716   3.7608   95.510   2.7256   88.550   2.7095 6.959862 3.843207 
1 1 1   18    2    5 o  289.288   1.6684  657.224   7.5741  660.134   10.720  654.324   10.703  289.803   2.3572  288.524   2.3638 1.279419 3.338218 
1 1 1   18    2    6 o  113.815   1.7031  101.741   3.0420  100.625   4.2933  102.866   4.3107  113.134   2.4182  114.388   2.4014 -1.254105 3.407955 
1 1 1   18    2    7 o  223.917   1.5808  393.769   5.5549  394.985   7.8569  392.554   7.8548  224.163   2.2335  223.471   2.2398 0.6920776 3.163067 
1 1 1   18    2    8 o  150.378   1.5886  177.610   3.7490  179.033   5.2820  176.166   5.3219  150.907   2.2304  149.689   2.2655 1.217560 3.179206 
1 1 1   18    2    9 o  129.573   1.6494  131.889   3.3539  139.055   4.7940  125.019   4.6938  132.975   2.2973  126.076   2.3724 6.899353 3.302399 
1 1 1   18    2   10 o   47.239   3.1224   17.664   2.3018   18.938   3.5085   16.702   3.0498   48.671   4.6499   45.745   4.2988 2.926266 6.332553 
1 1 1   18    2   11 o  112.001   1.7210   98.575   3.0250  101.080   4.2881   96.094   4.2678  113.333   2.4110  110.496   2.4613 2.837646 3.445404 
1 1 1   18    2   12 o  115.278   1.7009  104.442   3.0770  105.346   4.3854  103.566   4.3184  115.680   2.4157  114.701   2.3991 0.9790497 3.404608 
1 1 1   18    2   13 o   57.542   2.4868   26.133   2.2403   22.239   3.1426   30.158   3.1945   52.853   3.8145   61.688   3.3120 -8.834866 5.051740 
1 1 1   18    2   14 o   46.260   2.9909   16.976   2.1596   16.096   3.0240   17.891   3.0853   44.764   4.3599   47.253   4.2045 -2.488651 6.056996 
1 1 1   18    2   15 o  102.977   1.8271   83.457   2.9527   88.011   4.2254   79.110   4.1277  105.599   2.5497  100.064   2.6309 5.534927 3.663713 
1 1 1   18    2   16 o   18.762   6.1588   2.7854   2.0947   6.0668   3.0048  -0.3171   2.9217   26.634   7.0714   15.085   6.5734 11.54899 9.654815 
1 1 1   18    2   17 o   79.567   2.1476   49.991   2.6792   50.547   3.7898   49.435   3.7881   79.760   3.0333   78.866   3.0666 0.8941803 4.313344 
1 1 1   18    2   18 o   20.582   6.1589   3.5585   2.1436   3.7799   3.0077   3.3299   3.0558   21.671   7.3844   20.862   7.4219 0.8090305 10.46969 
1 1 1   18    2   19 o   13.269   5.6925   0.0628   2.1240  -2.8688   2.9786   3.0956   3.0295   12.503   5.8870   20.292   7.3685 -7.788829 9.431429 
1 1 1   18    2   20 o   50.412   3.4500   20.460   2.7129   22.197   3.9176   18.859   3.7604   51.885   4.8683   47.678   5.1053 4.206921 7.054407 
1 1 1   18    2   21 o   18.506   6.2484   2.8115   2.1531   5.0400   3.0515   0.6022   3.0384   23.773   7.3952   16.134   6.8617 7.639660 10.08823 
1 1 1   18    2   22 o   25.069   5.9050   5.5865   2.2846   5.8449   3.2841   5.3443   3.1801   25.001   7.6537   24.023   7.5609 0.9781189 10.75853 
1 1 1   18    2   23 o   32.132   4.7132   8.8723   2.3060   8.5080   3.2513   9.2411   3.2712   29.942   7.0387   31.398   6.8334 -1.456066 9.810171 
1 1 1   18    2   24 o   41.533   3.7352   14.445   2.4085   15.852   3.3855   13.004   3.4272   42.327   5.2064   37.621   6.0070 4.706284 7.949243 
1 1 1   18    2   25 o   19.064   6.2819   3.4651   2.1785   1.6959   3.1432   5.1005   3.0221   16.628   7.0213   22.234   7.4015 -5.606211 10.20198 
1 1 1   18    2   26 o   24.460   5.7824   5.7354   2.1843   5.2496   3.1173   6.2041   3.0616   22.091   7.5180   24.059   7.3945 -1.968317 10.54507 
1 1 1   18    2   27 o   15.936   6.1930   2.3780   2.2205   6.4400   3.2759  -1.0746   3.0202   23.059   7.7067   12.709   5.9664 10.35002 9.746317 
1 1 1   18    2   28 o   13.968   5.8685   1.5665   2.1782   2.4369   2.9994   0.5952   3.1685   15.798   6.7708   13.909   6.3831 1.889035 9.305213 
1 1 1   18    3    0 o  163.008   3.1219  209.002   7.9795  209.002   7.9795  209.002   7.9795  163.008   3.1219  163.008   3.1219 0.000000 0.000000 
1 1 1   18    3    1 f   91.799   2.5928   66.298   3.7314   68.341   5.2983   64.287   5.2561   93.086   3.6339   90.268   3.7184 2.818588 5.199207 
1 1 1   18    3    2 o   34.722   5.5679   9.7753   2.9314   3.8690   4.0589   16.215   4.2382   23.801   8.5440   44.808   6.1926 -21.00736 10.55213 
1 1 1   18    3    3 o   63.944   2.4980   32.190   2.5019   27.524   3.5075   37.023   3.5697   58.981   3.8099   68.500   3.3308 -9.518986 5.060541 
1 1 1   18    3    4 o  220.597   1.6283  382.144   5.6368  379.213   8.1689  384.808   7.7881  219.651   2.3699  221.285   2.2427 -1.634064 3.262819 
1 1 1   18    3    5 f   57.986   2.5609   26.490   2.3247   24.748   3.2780   28.253   3.2972   55.909   3.7579   59.783   3.5302 -3.873516 5.156008 
1 1 1   18    3    6 o  252.247   1.6624  499.736   6.5808  495.569   8.9813  504.565   9.6702  251.089   2.2793  253.327   2.4325 -2.237549 3.333485 
1 1 1   18    3    7 o  169.675   1.5798  226.106   4.2065  229.462   5.9849  222.830   5.9136  170.851   2.2322  168.363   2.2382 2.487701 3.161055 
1 1 1   18    3    8 o  181.951   1.5621  260.021   4.4605  263.356   6.3190  256.709   6.2972  183.026   2.2000  180.699   2.2207 2.327835 3.125949 
1 1 1   18    3    9 o   36.974   3.6302   10.890   2.0792   11.827   2.9539   9.9690   2.9272   38.297   5.0370   35.008   5.5100 3.288879 7.465356 
1 1 1   18    3   10 o   90.297   2.2155   64.126   3.1394   67.651   4.4993   60.780   4.3827   92.593   3.1008   87.745   3.1881 4.848068 4.447357 
1 1 1   18    3   11 o   97.819   1.8277   75.210   2.8057   77.595   3.9775   72.848   3.9583   99.243   2.5560   96.146   2.6259 3.096985 3.664499 
1 1 1   18    3   12 o  159.812   1.5966  200.695   4.0041  198.572   5.6387  202.855   5.6869  158.846   2.2620  160.550   2.2571 -1.704910 3.195538 
1 1 1   18    3   13 o  133.256   1.6523  139.590   3.4552  143.257   4.9361  136.067   4.8383  134.872   2.3321  131.441   2.3456 3.431137 3.307678 
1 1 1   18    3   14 o   48.663   2.8965   18.769   2.2020   16.638   3.1165   20.893   3.1116   45.495   4.4208   51.150   3.9060 -5.655663 5.899201 
1 1 1   18    3   15 o   42.461   3.3128   14.375   2.1900   15.863   3.1056   12.903   3.0886   44.325   4.5281   39.784   5.0616 4.541508 6.791425 
1 1 1   18    3   16 o   69.855   2.3100   38.551   2.5288   35.292   3.5081   42.077   3.6485   66.575   3.3687   72.757   3.2033 -6.182587 4.648564 
1 1 1   18    3   17 o  111.634   1.8267   98.192   3.2002   98.473   4.5129   97.908   4.5386  111.565   2.5777  111.237   2.6000 0.3282928 3.661185 
1 1 1   18    3   18 o   53.172   2.8650   22.506   2.3818   23.499   3.4053   21.555   3.3326   53.956   4.0512   51.630   4.1480 2.326145 5.798132 
1 1 1   18    3   19 o   23.853   5.9044   4.8922   2.1982   3.6199   3.1394   6.1159   3.0790   21.356   7.5299   26.366   7.2274 -5.010221 10.43717 
1 1 1   18    3   20 o   29.296   5.7159   7.3475   2.5334   4.8307   3.6228   9.7563   3.5441   23.756   8.1042   33.266   7.0105 -9.509405 10.71565 
1 1 1   18    3   21 o   34.171   4.3732   9.6835   2.2914   6.3678   3.1106   13.618   3.3883   26.502   7.2643   40.017   5.5442 -13.51490 9.138248 
1 1 1   18    3   22 o   18.331   6.4365   2.7853   2.2922   5.5580   3.2559   0.0609   3.2275   24.365   7.6480   15.605   6.8516 8.759994 10.26824 
1 1 1   18    3   23 o   34.312   4.5351   10.055   2.3822   6.7677   3.3429   13.446   3.3956   26.194   7.6539   38.874   5.7385 -12.68040 9.566243 
1 1 1   18    3   24 f   22.767   6.2746   4.9439   2.3136   7.1368   3.2933   2.8071   3.2508   26.437   7.5588   18.568   7.4072 7.868690 10.58311 
1 1 1   18    3   25 o   18.483   6.1575   3.2242   2.0915   4.2100   2.9545   2.2340   2.9611   20.499   7.2973   17.148   6.9875 3.351131 10.10331 
1 1 1   18    3   26 o   14.758   6.0299   1.4727   2.2122   1.2338   3.1195   1.7144   3.1377   15.719   6.8217   16.343   6.9625 -0.6234503 9.747439 
1 1 1   18    3   27 o   15.036   6.1387   1.8881   2.2907  -0.3368   3.2607   4.0561   3.2187   13.672   6.3454   18.835   7.4159 -5.162823 9.760091 
1 1 1   18    3   28 o   22.498   6.2628   5.6509   2.2922   4.4853   3.2379   6.8222   3.2456   18.603   7.4018   22.584   7.6713 -3.981102 10.66000 
1 1 1   18    4    0 o  101.627   3.5701   81.488   5.6778   81.488   5.6778   81.488   5.6778  101.627   3.5701  101.627   3.5701 0.000000 0.000000 
1 1 1   18    4    1 o  173.430   2.0094  236.284   5.4689  242.104   7.8945  230.913   7.5832  175.447   2.8673  171.350   2.8201 4.096222 4.021709 
1 1 1   18    4    2 o   50.275   3.1933   19.972   2.5064   18.386   3.4640   21.715   3.6310   48.032   4.6538   52.265   4.4699 -4.232735 6.452730 
1 1 1   18    4    3 o  222.100   1.8155  387.446   6.3278  374.787   8.7804  401.125   9.1273  218.333   2.5626  225.872   2.5750 -7.539093 3.632865 
1 1 1   18    4    4 o  122.022   1.9158  116.966   3.6686  122.226   5.2136  111.808   5.1630  124.667   2.6649  119.226   2.7595 5.441246 3.836169 
1 1 1   18    4    5 o  348.354   2.0760  953.554   11.349  943.439   14.756  968.203   17.757  346.324   2.7151  350.661   3.2268 -4.337585 4.217093 
1 1 1   18    4    6 o  114.838   1.8921  103.610   3.4098  103.288   4.6551  103.982   5.0086  114.595   2.5886  114.959   2.7763 -0.3633652 3.795851 
1 1 1   18    4    7 o  162.429   1.6909  207.243   4.3101  210.092   6.1462  204.486   6.0457  163.451   2.3962  161.256   2.3890 2.194565 3.383646 
1 1 1   18    4    8 o  107.387   1.7967   90.607   3.0278   82.282   4.1978   99.636   4.3715  102.225   2.6189  112.543   2.4752 -10.31777 3.603480 
1 1 1   18    4    9 o  170.326   1.6442  227.912   4.3948  235.556   6.4985  221.469   5.9661  173.041   2.3931  167.810   2.2655 5.231552 3.295351 
1 1 1   18    4   10 o   66.756   2.5416   35.128   2.6577   33.441   3.6389   37.057   3.8910   64.982   3.5822   68.407   3.6376 -3.424065 5.105357 
1 1 1   18    4   11 o   38.985   3.5319   12.101   2.1374   17.332   3.0732   7.2009   2.9746   46.585   4.2505   29.392   6.6097 17.19322 7.858467 
1 1 1   18    4   12 o   62.489   2.4139   30.793   2.3627   29.714   3.3235   31.896   3.3596   61.217   3.4738   63.447   3.3864 -2.229919 4.851298 
1 1 1   18    4   13 o   24.906   5.4532   5.1551   2.0722   8.4719   2.9515   1.9310   2.9100   31.942   6.1107   18.488   7.1151 13.45427 9.378993 
1 1 1   18    4   14 o  139.943   1.6708  154.020   3.6694  157.770   5.2214  150.361   5.1578  141.478   2.3518  138.108   2.3798 3.369415 3.345778 
1 1 1   18    4   15 o   81.076   2.1048   51.833   2.6757   51.104   3.7859   52.561   3.7822   80.297   3.0097   81.447   2.9641 -1.150032 4.224247 
1 1 1   18    4   16 o   44.630   3.2976   15.902   2.2932   13.620   3.2273   18.229   3.2591   40.766   5.1602   47.490   4.4240 -6.724308 6.797046 
1 1 1   18    4   17 o   78.168   2.1855   48.276   2.6783   50.058   3.7855   46.489   3.7899   79.345   3.0459   76.419   3.1671 2.926224 4.394082 
1 1 1   18    4   18 o   40.175   3.6615   13.012   2.2831   13.527   3.2265   12.495   3.2311   40.439   5.2048   38.742   5.4662 1.696934 7.547786 
1 1 1   18    4   19 o   15.216   6.1035   1.0920   2.2197   4.9193   3.0772  -3.0594   3.2049   23.835   7.4282   12.943   6.0980 10.89239 9.610595 
1 1 1   18    4   20 o   72.095   2.5039   41.323   2.8286   38.217   4.2444   43.804   3.7939   68.660   3.9559   73.888   3.2801 -5.227806 5.138887 
1 1 1   18    4   21 o   42.217   3.5178   14.473   2.3094   14.676   3.2609   14.270   3.2711   41.774   5.0784   41.131   5.1827 0.6435966 7.256069 
1 1 1   18    4   22 o   41.494   3.7100   14.163   2.3904   12.664   3.2944   15.830   3.4738   38.078   5.6871   42.931   5.2664 -4.852428 7.751000 
1 1 1   18    4   23 o   17.204   6.3750   2.4072   2.2858   1.3669   3.2081   3.4799   3.2578   16.796   7.0929   19.983   7.5676 -3.187027 10.37198 
1 1 1   18    4   24 o   11.164   5.3032  -2.2767   2.5197   1.7935   3.7413  -5.6555   3.4087   17.680   7.5694   11.164   5.4977 6.516264 9.355232 
1 1 1   18    4   25 o   11.019   5.1846  -1.6772   2.3032  -2.6507   3.4041  -0.8553   3.1277   12.820   6.1107   13.708   6.3096 -0.8887157 8.783617 
1 1 1   18    4   26 o   13.405   5.7673   0.6795   2.1918   3.9556   3.1210  -2.5087   3.0789   19.587   7.4094   12.060   5.7658 7.527219 9.388459 
1 1 1   18    4   27 o   13.821   5.8319   1.2869   2.1660   3.3736   3.1027  -0.6969   3.0252   17.660   7.1688   12.904   6.0299 4.755994 9.367553 
1 1 1   18    5    0 o   68.713   3.2116   37.347   3.4459   37.347   3.4459   37.347   3.4459   68.713   3.2116   68.713   3.2116 0.000000 0.000000 
1 1 1   18    5    1 o   73.120   2.3397   42.065   2.6813   40.985   3.7658   43.176   3.8186   72.072   3.3386   73.982   3.2973 -1.910378 4.692378 
1 1 1   18    5    2 o  232.340   1.7034  423.956   6.2109  419.497   8.7305  428.526   8.8375  231.010   2.4082  233.482   2.4120 -2.472229 3.408392 
1 1 1   18    5    3 f   36.684   4.4991   10.784   2.5359   11.466   3.7728   10.222   3.4249   37.419   6.6695   35.334   6.4127 2.085163 9.252270 
1 1 1   18    5    4 o   73.216   2.4679   42.195   2.8315   41.295   3.9689   43.129   4.0408   72.312   3.5079   73.906   3.4940 -1.593987 4.951090 
1 1 1   18    5    5 o   82.299   2.6094   53.327   3.3658   56.926   4.8062   49.864   4.7151   84.903   3.6155   79.425   3.7939 5.477585 5.240694 
1 1 1   18    5    6 o  202.567   1.8265  322.376   5.8062  321.915   8.2314  322.834   8.1912  202.293   2.5929  202.584   2.5765 -0.2917175 3.655358 
1 1 1   18    5    7 o   27.667   5.3110   6.2734   2.2221   8.6119   3.1439   3.9388   3.1412   32.314   6.4258   22.694   7.5457 9.620306 9.911069 
1 1 1   18    5    8 o   81.559   2.1439   52.334   2.7417   48.270   3.8341   56.587   3.9220   78.205   3.1304   84.710   2.9549 -6.505142 4.304712 
1 1 1   18    5    9 o   90.313   2.0666   64.128   2.9289   65.325   4.1559   62.947   4.1284   91.016   2.9134   89.336   2.9488 1.679558 4.145301 
1 1 1   18    5   10 o  133.762   1.9177  140.657   4.0255  140.692   5.2722  140.607   6.2336  133.689   2.5130  133.563   2.9740 0.1264496 3.893577 
1 1 1   18    5   11 o  102.192   1.9398   82.116   3.1108   82.585   4.4200   81.656   4.3791  102.337   2.7547  101.761   2.7447 0.5760727 3.888682 
1 1 1   18    5   12 o  101.126   1.9031   80.429   3.0202   80.007   4.1467   80.906   4.4078  100.721   2.6257  101.255   2.7766 -0.5337753 3.821472 
1 1 1   18    5   13 o  131.425   1.6936  135.821   3.4929  134.747   4.9446  136.891   4.9349  130.761   2.4096  131.803   2.3858 -1.042160 3.390926 
1 1 1   18    5   14 o   49.867   3.0207   19.737   2.3528   20.889   3.3506   18.617   3.3046   51.036   4.2212   48.110   4.4267 2.926773 6.116680 
1 1 1   18    5   15 o  108.392   1.8480   92.508   3.1435   94.719   4.4648   90.335   4.4267  109.495   2.5984  106.920   2.6382 2.575249 3.702934 
1 1 1   18    5   16 o   37.269   3.9034   11.207   2.2491   10.403   3.1454   12.048   3.2174   35.287   5.8873   38.155   5.5347 -2.867825 8.080371 
1 1 1   18    5   17 o   47.187   3.1747   17.783   2.3372   18.322   3.2908   17.235   3.3201   47.499   4.4672   45.988   4.6649 1.511181 6.458925 
1 1 1   18    5   18 o   76.950   2.2620   46.860   2.7285   52.872   3.9125   41.168   3.8071   81.455   3.0662   71.738   3.3914 9.717789 4.572011 
1 1 1   18    5   19 o   87.871   2.1007   61.046   2.8967   61.865   4.0705   60.205   4.1232   88.091   2.9487   86.862   3.0295 1.229370 4.227557 
1 1 1   18    5   20 o   17.961   6.4615   2.4552   2.3229   0.7537   3.5174   3.7710   3.0933   17.357   7.3824   21.371   7.4792 -4.014315 10.50900 
1 1 1   18    5   21 o   32.104   4.5434   8.6297   2.2252   7.6820   3.1519   9.5713   3.1419   29.109   6.9884   32.960   6.3040 -3.850880 9.411560 
1 1 1   18    5   22 o   12.862   5.6924  -0.2697   2.2696  -2.9025   3.1904   2.4278   3.2293   12.651   5.9972   18.607   7.3957 -5.956003 9.521716 
1 1 1   18    5   23 o   21.304   7.1369   4.3247   2.8092   6.5688   4.4782   2.8685   3.6072   24.911   8.9705   19.232   7.7576 5.678915 11.85958 
1 1 1   18    5   24 o   19.413   6.9255   3.5683   2.6624   7.2725   3.7830  -0.0671   3.7477   25.888   8.2587   15.688   7.0990 10.20037 10.89048 
1 1 1   18    5   25 o   18.488   6.6162   3.2439   2.4319   1.9247   3.4615   4.5298   3.4174   17.186   7.3171   20.914   7.7862 -3.728424 10.68481 
1 1 1   18    5   26 o   17.051   6.0892   2.7641   2.0588   5.3316   2.9466   0.3149   2.8778   22.084   7.3071   14.128   6.3213 7.955709 9.661867 
1 1 1   18    5   27 o   12.912   5.5443   0.9037   2.0182  -1.9601   2.8530   3.7721   2.8553   11.506   5.5141   18.162   7.0323 -6.656009 8.936411 
1 1 1   18    6    0 o   24.716   8.2435   6.1995   2.8483   6.1995   2.8483   6.1995   2.8483   24.716   8.2435   24.716   8.2435 0.000000 0.000000 
1 1 1   18    6    1 o  218.233   1.5777  374.005   5.4032  371.330   7.6357  376.688   7.6470  217.361   2.2385  218.925   2.2258 -1.564392 3.156762 
1 1 1   18    6    2 o  103.518   1.8039   84.175   2.9304   90.342   4.2280   78.475   4.0653  107.187   2.5135   99.859   2.5964 7.328186 3.613706 
1 1 1   18    6    3 o  191.210   1.6864  287.160   5.0603  283.122   7.0891  291.355   7.2257  189.767   2.3805  192.505   2.3918 -2.737915 3.374530 
1 1 1   18    6    4 o  155.313   1.7031  189.474   4.1509  189.601   5.8318  189.344   5.9095  155.286   2.3931  155.176   2.4267 0.1096344 3.408222 
1 1 1   18    6    5 o  247.028   1.8671  479.452   7.2380  478.469   10.222  480.442   10.250  246.611   2.6412  247.118   2.6432 -0.5075226 3.736652 
1 1 1   18    6    6 o   49.122   3.4914   19.121   2.6739   19.580   3.7360   18.638   3.8286   49.486   4.8741   48.218   5.1388 1.267780 7.082655 
1 1 1   18    6    7 o   31.599   4.6714   8.0733   2.2467   5.9539   3.1282   10.331   3.2289   26.797   7.2600   35.547   6.0017 -8.749851 9.419558 
1 1 1   18    6    8 o  127.674   1.9582  128.130   3.9233  126.760   5.4932  129.557   5.6054  126.880   2.7589  128.268   2.7847 -1.388100 3.919939 
1 1 1   18    6    9 o  171.027   1.8472  229.901   4.9579  237.082   7.7008  224.816   6.4793  173.480   2.8286  169.018   2.4428 4.462219 3.737444 
1 1 1   18    6   10 o   79.895   2.2251   50.259   2.7871   47.714   3.8537   53.051   4.0358   77.706   3.1669   81.947   3.1441 -4.241295 4.462555 
1 1 1   18    6   11 o   26.498   5.6318   5.8195   2.2696   7.2858   3.2210   4.3735   3.1986   29.462   7.0593   23.476   7.6041 5.985588 10.37568 
1 1 1   18    6   12 o  105.386   1.9609   87.378   3.2430   89.947   4.6382   84.922   4.5361  106.747   2.7711  103.716   2.7895 3.030907 3.931940 
1 1 1   18    6   13 o  131.028   1.8183  135.069   3.7389  135.148   5.2985  134.991   5.2767  130.891   2.5795  130.818   2.5703 0.7345581E-01 3.641480 
1 1 1   18    6   14 o  182.673   1.7184  262.556   4.9261  258.629   6.9400  266.544   6.9934  181.048   2.4426  183.805   2.4245 -2.757156 3.441611 
1 1 1   18    6   15 o   41.834   3.7539   14.048   2.4383   14.947   3.4634   13.165   3.4334   42.712   5.2794   39.930   5.6358 2.781929 7.722290 
1 1 1   18    6   16 o   26.584   5.7089   5.9693   2.3106   6.4594   3.2753   5.4838   3.2600   27.306   7.4418   25.311   7.6002 1.995230 10.63684 
1 1 1   18    6   17 o   69.752   2.5220   38.566   2.7562   34.983   3.8567   42.305   3.9402   66.029   3.7373   72.740   3.4616 -6.711868 5.094138 
1 1 1   18    6   18 o   59.102   2.8741   27.830   2.6578   25.160   3.7851   30.428   3.7327   55.633   4.3706   61.424   3.8924 -5.790951 5.852567 
1 1 1   18    6   19 o   52.176   3.2331   21.840   2.6342   23.966   3.7493   19.768   3.7020   54.146   4.4516   48.943   4.8851 5.203518 6.609149 
1 1 1   18    6   20 o   45.335   3.6210   16.671   2.5547   14.399   3.5995   18.977   3.6264   41.117   5.7342   47.760   4.9082 -6.642754 7.547986 
1 1 1   18    6   21 o   29.320   5.4373   7.4409   2.4097   4.8807   3.3767   10.098   3.4399   23.238   7.8250   33.496   6.7770 -10.25861 10.35173 
1 1 1   18    6   22 f   20.130   6.4564   3.6665   2.3097   1.0340   3.2611   6.3163   3.2717   16.624   7.0907   25.521   7.6022 -8.897421 10.39574 
1 1 1   18    6   23 o   59.990   3.2533   29.552   3.0513   32.885   4.2101   25.864   4.4286   62.238   4.3376   54.202   5.2730 8.035732 6.827877 
1 1 1   18    6   24 o   19.896   7.0608   3.8438   2.7641  -1.8192   3.9522   9.2662   3.8673   14.528   6.8220   29.347   8.1217 -14.81894 10.60670 
1 1 1   18    6   25 o   25.861   5.8568   6.3815   2.3215   0.5215   3.2560   12.441   3.3109   15.228   6.7743   36.203   6.0404 -20.97530 9.076247 
1 1 1   18    6   26 o   14.609   6.0333   1.4967   2.2455   1.0618   3.1798   1.9294   3.1716   15.273   6.7495   16.296   6.9729 -1.023141 9.704459 
1 1 1   18    6   27 o   17.949   6.1017   3.4979   2.0534   5.9000   2.9408   1.2127   2.8684   21.807   7.3022   14.366   6.3766 7.440666 9.694426 
1 1 1   18    7    0 o  100.968   2.5971   80.246   4.1089   80.246   4.1089   80.246   4.1089  100.968   2.5971  100.968   2.5971 0.000000 0.000000 
1 1 1   18    7    1 o  151.126   1.6123  179.376   3.8238  178.836   5.3867  179.924   5.4288  150.829   2.2758  151.286   2.2867 -0.4566040 3.226133 
1 1 1   18    7    2 o  173.016   1.5783  235.095   4.2854  232.241   6.0304  238.007   6.0911  171.883   2.2357  174.004   2.2306 -2.121109 3.158135 
1 1 1   18    7    3 o   63.550   2.3362   31.797   2.3259   30.005   3.2547   33.666   3.3250   61.615   3.3790   65.293   3.2554 -3.677528 4.691975 
1 1 1   18    7    4 o   60.281   2.4653   28.628   2.3272   29.781   3.3164   27.510   3.2665   61.368   3.4577   58.962   3.5467 2.406429 4.953210 
1 1 1   18    7    5 o   33.737   4.3745   9.1475   2.2616   10.324   3.4077   8.2215   3.0234   35.469   6.3555   31.573   6.3227 3.895840 8.964869 
1 1 1   18    7    6 o   49.877   3.2930   19.695   2.5631   16.613   3.8357   22.182   3.4452   45.401   5.4953   52.807   4.1917 -7.406582 6.911466 
1 1 1   18    7    7 o   43.851   3.4806   15.266   2.3756   16.527   3.2962   13.904   3.4267   45.431   4.6908   41.486   5.3907 3.945030 7.145861 
1 1 1   18    7    8 o  178.793   1.7096  251.188   4.7968  249.703   6.7211  252.731   6.8480  178.139   2.4042  179.209   2.4350 -1.070374 3.421899 
1 1 1   18    7    9 o  122.816   2.0832  118.629   4.0150  122.968   5.9385  114.975   5.4492  124.883   3.0302  120.785   2.8748 4.097580 4.176916 
1 1 1   18    7   10 o   85.984   2.1769   58.207   2.9350   58.865   4.0981   57.514   4.2055   86.333   3.0295   85.313   3.1465 1.019806 4.367894 
1 1 1   18    7   11 o   67.392   2.4258   35.820   2.5613   38.141   3.7752   33.840   3.4864   69.360   3.4795   65.335   3.4122 4.025223 4.873385 
1 1 1   18    7   12 o  123.427   1.7824  119.821   3.4525  118.664   4.7780  121.086   4.9942  122.692   2.4816  123.917   2.5682 -1.225204 3.571245 
1 1 1   18    7   13 o  119.912   1.8296  113.152   3.4429  112.753   4.6993  113.613   5.0586  119.550   2.5048  119.956   2.6872 -0.4061050 3.673598 
1 1 1   18    7   14 o   80.699   2.1845   51.381   2.7639   49.708   3.8992   53.069   3.9183   79.141   3.1459   81.802   3.0577 -2.661102 4.386985 
1 1 1   18    7   15 o   61.294   2.6316   29.766   2.5254   27.189   3.5795   32.321   3.5635   58.222   3.9409   63.617   3.5839 -5.395317 5.326828 
1 1 1   18    7   16 o   55.959   2.9030   24.905   2.5406   28.865   3.7053   21.392   3.4902   59.918   3.9628   51.406   4.3677 8.511452 5.897531 
1 1 1   18    7   17 o   28.487   5.5292   6.8529   2.3826   5.2548   3.3368   8.5152   3.4033   24.708   7.7404   31.253   7.1010 -6.544874 10.50416 
1 1 1   18    7   18 o   84.952   2.4508   57.241   3.2639   59.907   4.6317   54.611   4.6002   86.473   3.4199   82.484   3.5623 3.988472 4.938145 
1 1 1   18    7   19 o   81.180   2.9649   52.641   3.7709   57.704   5.0643   46.340   5.6491   84.507   3.8287   75.075   4.8204 9.432137 6.155869 
1 1 1   18    7   20 o   21.208   6.8463   3.9008   2.5942   3.0219   3.6604   4.7877   3.6772   20.540   7.9598   23.413   8.1572 -2.873053 11.39727 
1 1 1   18    7   21 o   13.223   5.8186  -0.1909   2.3392  -4.5115   3.3300   4.0177   3.2866   11.964   5.7893   21.462   7.6902 -9.498203 9.625765 
1 1 1   18    7   22 o   50.068   3.2774   20.508   2.5609   19.584   3.5903   21.465   3.6540   47.785   4.8551   50.178   4.6948 -2.393410 6.753783 
1 1 1   18    7   23 o   27.332   6.1448   7.0209   2.5714   7.4123   3.3868   6.4883   3.9511   26.886   7.6583   24.611   8.4615 2.275051 11.41255 
1 1 1   18    7   24 o   13.732   6.1231   0.0215   2.6761   0.4861   3.8126  -0.4296   3.7572   16.158   7.2491   15.238   6.9772 0.9206295 10.06135 
1 1 1   18    7   25 o   20.437   6.5973   4.2110   2.4089   6.2636   3.3335   1.9677   3.4850   23.820   7.7663   17.079   7.3086 6.741341 10.66445 
1 1 1   18    7   26 o   17.780   6.6247   3.2695   2.4748  -0.5418   3.4973   7.0921   3.5024   13.981   6.5169   24.019   7.9672 -10.03706 10.29299 
1 1 1   18    7   27 o   21.574   6.6011   5.4024   2.4433   5.9613   3.4382   4.8321   3.4728   20.799   7.7965   19.027   7.6337 1.771839 10.91137 
1 1 1   18    8    0 o  159.102   2.2634  198.942   5.6488  198.942   5.6488  198.942   5.6488  159.102   2.2634  159.102   2.2634 0.000000 0.000000 
1 1 1   18    8    1 o   79.607   2.0559   49.842   2.5662   51.007   3.6318   48.679   3.6265   80.444   2.8816   78.576   2.9462 1.868179 4.121118 
1 1 1   18    8    2 o   98.241   1.8425   75.831   2.8405   77.327   4.0189   74.339   4.0152   99.106   2.5863   97.164   2.6357 1.941330 3.692657 
1 1 1   18    8    3 o  125.608   1.6739  123.939   3.2996  119.907   4.6590  127.997   4.6736  123.472   2.4045  127.578   2.3344 -4.105934 3.351232 
1 1 1   18    8    4 o   65.776   2.3202   34.067   2.3912   34.080   3.3486   34.054   3.4157   65.676   3.2592   65.642   3.3267 0.3401947E-01 4.657166 
1 1 1   18    8    5 o   81.108   2.0493   51.748   2.6064   49.619   3.6852   53.878   3.6867   79.312   2.9660   82.667   2.8461 -3.355003 4.110653 
1 1 1   18    8    6 o   71.013   2.4130   39.722   2.6851   34.631   4.0014   43.892   3.6216   66.092   3.8750   74.561   3.1019 -8.468811 4.963604 
1 1 1   18    8    7 o  140.337   1.6531  154.742   3.6407  155.273   5.1763  154.224   5.1216  140.481   2.3480  140.009   2.3310 0.4725494 3.308556 
1 1 1   18    8    8 o   34.576   3.9892   9.5813   2.1249   9.3551   2.9597   9.8218   3.0525   33.780   5.7915   34.624   5.8244 -0.8440971 8.213753 
1 1 1   18    8    9 o  107.758   2.3187   91.392   3.9211   86.985   5.3395   96.549   5.7768  104.924   3.2467  110.526   3.3343 -5.602119 4.653924 
1 1 1   18    8   10 o   40.577   3.8576   13.155   2.4269   13.230   3.3140   13.069   3.5640   40.361   5.3649   39.984   5.8533 0.3766403 7.940008 
1 1 1   18    8   11 o   98.322   2.0654   76.089   3.1868   75.329   4.3972   76.929   4.6250   97.649   2.8726   98.653   2.9909 -1.004135 4.146962 
1 1 1   18    8   12 o   28.387   5.4732   6.6838   2.3498   7.9648   3.2842   5.3403   3.3635   30.678   6.9796   25.343   7.7432 5.334978 10.42462 
1 1 1   18    8   13 o  110.933   1.9980   96.927   3.4784   97.124   4.8394   96.717   5.0030  110.814   2.7850  110.549   2.8863 0.2654495 4.010874 
1 1 1   18    8   14 o   25.496   5.8917   5.4919   2.3100   4.6713   3.3072   6.2736   3.2280   23.818   7.7334   27.026   7.3969 -3.207279 10.70136 
1 1 1   18    8   15 o   61.153   2.6588   29.653   2.5455   30.327   3.6142   28.990   3.5856   61.526   3.7612   60.131   3.8195 1.394955 5.360558 
1 1 1   18    8   16 o   74.789   2.4613   44.306   2.8848   40.777   4.0502   47.941   4.1099   71.349   3.6292   77.477   3.3884 -6.127777 4.965118 
1 1 1   18    8   17 o   37.219   4.3688   11.332   2.5032   9.7372   3.5579   12.894   3.5225   33.442   7.0043   39.113   5.9241 -5.671177 9.173610 
1 1 1   18    8   18 o   13.840   5.9776   0.0023   2.3725  -1.6273   3.3410   1.6599   3.3695   14.499   6.6164   18.403   7.4706 -3.903993 9.979288 
1 1 1   18    8   19 o   30.488   6.0446   8.0614   2.7898   1.3781   3.8680   15.307   4.0276   18.730   7.8415   42.146   6.2809 -23.41607 10.04687 
1 1 1   18    8   20 o   30.924   4.9344   8.1068   2.3142   6.2172   3.2545   10.039   3.2913   25.975   7.5411   33.673   6.4635 -7.697992 9.932007 
1 1 1   18    8   21 o   48.138   3.2144   18.850   2.4144   17.376   3.4116   20.329   3.4173   45.181   4.8894   49.204   4.4745 -4.022919 6.627769 
1 1 1   18    8   22 o   44.457   3.4518   16.312   2.3893   20.173   3.3986   12.540   3.3598   48.656   4.5020   37.206   5.9551 11.45063 7.465366 
1 1 1   18    8   23 o   43.360   3.7819   15.828   2.5476   16.288   3.6040   15.369   3.6019   42.418   5.5468   40.989   5.7580 1.428596 7.995141 
1 1 1   18    8   24 o   12.844   5.8906  -0.7781   2.6921  -0.8222   3.8359  -0.7353   3.7793   14.963   6.9230   14.944   6.8989 0.1991749E-01 9.773530 
1 1 1   18    8   25 o   24.200   6.4107   5.9182   2.4730   4.8308   3.5101   6.9900   3.4848   20.930   7.8707   24.763   7.9294 -3.833637 11.17243 
1 1 1   18    8   26 o   11.627   5.3917  -0.6828   2.3471   2.0738   3.2663  -3.6260   3.3750   16.014   6.9647   11.512   5.6281 4.502479 8.954514 
1 1 1   18    8   27 o   11.222   5.3517  -1.4208   2.6175  -0.3461   3.7335  -2.4595   3.6707   13.681   6.4862   12.277   5.9729 1.403777 8.817369 
1 1 1   18    9    0 o   8.2449   5.7937  -3.1712   2.8924  -3.1712   2.8924  -3.1712   2.8924   8.2449   5.7937   8.2449   5.7937 0.000000 0.000000 
1 1 1   18    9    1 o   99.080   1.8434   77.141   2.8662   78.922   4.0797   75.405   4.0276  100.111   2.5990   97.850   2.6253 2.260986 3.694187 
1 1 1   18    9    2 o   92.892   1.9171   67.816   2.7947   63.730   3.9202   72.039   3.9852   89.927   2.7812   95.633   2.6580 -5.705231 3.847074 
1 1 1   18    9    3 o  147.213   1.6300  170.249   3.7656  172.419   5.3542  168.126   5.2970  148.059   2.3044  146.204   2.3087 1.855164 3.261924 
1 1 1   18    9    4 o   99.708   1.9173   78.140   3.0001   76.281   4.0946   80.296   4.4082   98.402   2.6540  100.940   2.7855 -2.537834 3.847416 
1 1 1   18    9    5 o   22.204   5.8337   4.0743   2.0588   3.3840   2.8799   4.7957   2.9442   21.249   7.2261   24.238   7.2097 -2.989681 10.20763 
1 1 1   18    9    6 o   47.474   3.0885   17.844   2.2885   16.349   3.2381   19.336   3.2347   45.173   4.6334   49.243   4.2268 -4.070011 6.271683 
1 1 1   18    9    7 o   99.537   1.8907   77.890   2.9533   78.801   4.1828   76.986   4.1705   99.987   2.6682   98.824   2.6917 1.162865 3.790000 
1 1 1   18    9    8 o   77.621   2.1594   47.439   2.6278   46.368   3.7026   48.526   3.7301   76.601   3.0864   78.374   3.0386 -1.773384 4.331142 
1 1 1   18    9    9 o   41.498   3.7480   13.741   2.4145   13.767   3.1667   13.704   3.7318   41.276   4.9899   40.926   5.9877 0.3504181 7.794303 
1 1 1   18    9   10 o  100.412   1.9236   79.322   3.0312   80.051   4.2539   78.569   4.3204  100.709   2.6940   99.757   2.7624 0.9524078 3.858605 
1 1 1   18    9   11 o   84.214   2.0933   55.844   2.7665   55.224   3.7869   56.553   4.0513   83.562   2.8921   84.524   3.0593 -0.9614868 4.209959 
1 1 1   18    9   12 o   22.429   6.2566   4.2113   2.2851   6.6962   3.0771   1.1560   3.4120   28.055   7.0096   18.214   7.4706 9.841156 10.24427 
1 1 1   18    9   13 o   25.181   6.4879   5.3855   2.5797   3.7312   3.4191   7.5718   3.9306   22.207   7.8556   29.557   8.1910 -7.350098 11.34918 
1 1 1   18    9   14 o   14.812   6.2917   0.2401   2.5490  -2.4261   3.4514   3.4393   3.7807   14.248   6.5832   22.056   8.1938 -7.807851 10.51082 
1 1 1   18    9   15 o   31.474   5.6298   8.3139   2.6786   7.2164   3.7760   9.4256   3.8003   28.649   8.0612   32.858   7.5315 -4.209185 11.03206 
1 1 1   18    9   16 o   38.465   4.3338   12.071   2.5706   12.778   3.6479   11.373   3.6229   38.863   6.1886   36.455   6.5745 2.408501 9.029035 
1 1 1   18    9   17 o   66.951   2.6359   35.635   2.7640   40.229   4.1308   31.911   3.7193   70.686   3.7371   62.913   3.7847 7.772942 5.318797 
1 1 1   18    9   18 o   21.772   6.3445   4.1048   2.2997   3.3130   3.2573   4.8917   3.2472   20.773   7.6252   23.686   7.6608 -2.913328 10.80890 
1 1 1   18    9   19 f   50.616   3.2892   20.664   2.5985   18.918   3.7896   22.214   3.5699   47.487   5.1685   51.930   4.4227 -4.442852 6.802464 
1 1 1   18    9   20 f   14.549   6.1713   0.5399   2.4464   0.5132   3.4546   0.5668   3.4648   16.627   7.1973   16.708   7.2202 -0.8170891E-01 10.19472 
1 1 1   18    9   21 o   39.953   4.1111   13.373   2.5409   11.737   3.5733   15.045   3.6137   35.702   6.6216   41.234   5.7399 -5.532715 8.763068 
1 1 1   18    9   22 o   26.209   6.0700   6.4167   2.4474   5.4016   3.4313   7.4681   3.4919   23.068   7.8867   26.970   7.8059 -3.901880 11.09649 
1 1 1   18    9   23 o   23.853   6.2797   5.5154   2.3825   7.3215   3.3928   3.7583   3.3464   26.308   7.7172   19.829   7.6302 6.479090 10.85248 
1 1 1   18    9   24 o   11.269   5.3667  -2.2530   2.6130   0.8892   3.5895  -5.7952   3.8112   16.076   7.1344   11.753   5.7928 4.322674 9.190025 
1 1 1   18    9   25 o   10.737   5.0816  -1.6593   2.2725  -2.4782   3.2250  -0.8516   3.2027   12.239   5.8646   13.450   6.2582 -1.211830 8.576655 
1 1 1   18    9   26 o   15.041   6.0455   2.0982   2.1823  -2.3074   3.2256   5.8169   2.9634   11.890   5.7400   21.665   7.3306 -9.775167 9.310449 
1 1 1   18   10    0 o   33.941   6.5333   10.054   3.1077   10.054   3.1077   10.054   3.1077   33.941   6.5333   33.941   6.5333 0.000000 0.000000 
1 1 1   18   10    1 o  130.905   1.7394  134.653   3.5732  136.830   5.0833  132.526   5.0237  131.864   2.4565  129.772   2.4668 2.092346 3.481288 
1 1 1   18   10    2 o  147.891   1.6866  171.853   3.9145  169.669   5.4934  174.105   5.5793  146.847   2.3838  148.754   2.3900 -1.906540 3.375625 
1 1 1   18   10    3 o   28.288   5.2147   6.5575   2.2297   6.6238   3.2180   6.4963   3.0923   28.165   7.2408   27.901   7.0584 0.2642441 10.11189 
1 1 1   18   10    4 o   77.517   2.1631   47.298   2.6288   49.114   3.6955   45.437   3.7403   78.880   2.9908   75.841   3.1495 3.039810 4.343307 
1 1 1   18   10    5 o   21.108   6.0723   3.6470   2.1191   3.3048   2.9017   4.0382   3.1020   21.094   7.2513   22.771   7.4957 -1.677641 10.42912 
1 1 1   18   10    6 o   87.522   2.0502   60.246   2.8159   62.705   3.9656   57.745   3.9991   89.150   2.8382   85.523   2.9843 3.627579 4.118368 
1 1 1   18   10    7 o   13.084   5.6377  -0.1534   2.1004  -1.4408   2.9195   1.2282   3.0243   13.934   6.2894   17.643   7.1079 -3.708818 9.490948 
1 1 1   18   10    8 o   58.692   2.6329   27.205   2.4189   25.188   3.3296   29.460   3.5202   56.271   3.7926   60.895   3.7011 -4.624035 5.299259 
1 1 1   18   10    9 o  143.395   1.7138  161.684   3.8566  158.404   5.3638  165.195   5.5489  141.787   2.4106  144.786   2.4422 -2.999100 3.431511 
1 1 1   18   10   10 o   82.705   2.3273   53.947   3.0176   54.977   4.2130   52.862   4.3243   83.295   3.2291   81.636   3.3827 1.659088 4.676561 
1 1 1   18   10   11 o   58.677   2.9120   27.288   2.6731   27.837   3.6872   26.679   3.8809   59.006   4.0056   57.673   4.3193 1.333656 5.890815 
1 1 1   18   10   12 o   22.012   6.4148   4.0505   2.3509   4.8838   3.2490   3.1347   3.4060   24.246   7.6438   21.175   7.7932 3.070696 10.91614 
1 1 1   18   10   13 o   63.900   2.8439   32.399   2.8446   30.607   4.0944   34.071   3.9550   61.679   4.2562   65.223   3.8816 -3.544113 5.760400 
1 1 1   18   10   14 o   23.106   6.3394   4.5503   2.3677   6.4501   3.4708   2.8967   3.2381   27.222   7.7522   20.379   7.5807 6.843040 10.84269 
1 1 1   18   10   15 o   16.104   6.2629   1.4745   2.2723   4.1853   3.2402  -1.1488   3.1875   22.611   7.6651   14.696   6.6079 7.914298 10.12018 
1 1 1   18   10   16 o   43.462   4.0647   15.337   2.7402   18.286   3.7810   12.074   3.9768   47.008   5.2130   37.271   7.0576 9.737061 8.774085 
1 1 1   18   10   17 o   15.544   6.5358   0.6154   2.7051   4.1752   3.8468  -2.8671   3.8048   22.844   8.3019   14.538   6.7833 8.305875 10.72079 
1 1 1   18   10   18 o   22.461   6.8891   4.4234   2.6591   8.6817   3.7537   0.1339   3.7675   30.823   7.7651   17.099   7.4576 13.72457 10.76629 
1 1 1   18   10   19 o   42.422   4.2988   14.885   2.8224   13.961   3.9026   15.898   4.0866   39.844   6.4628   42.678   6.2900 -2.834538 9.018383 
1 1 1   18   10   20 o   44.751   4.0074   16.613   2.7846   14.930   4.0770   18.084   3.8123   40.605   6.6265   45.726   5.4179 -5.121067 8.559448 
1 1 1   18   10   21 o   24.076   6.4306   5.4583   2.4756   5.4493   3.5104   5.4671   3.4917   23.400   7.9776   23.437   7.9569 -0.3711319E-01 11.26738 
1 1 1   18   10   22 o   12.990   5.7384   0.0148   2.2962   0.1401   3.4019  -0.0902   3.1120   15.355   6.8713   14.594   6.5483 0.7607450 9.491796 
1 1 1   18   10   23 o   19.939   6.3208   3.8741   2.2188   4.5758   3.1545   3.1870   3.1215   21.050   7.5351   18.676   7.3182 2.374273 10.50397 
1 1 1   18   10   24 o   13.051   5.7930   0.1440   2.3675   0.5708   3.1866  -0.3817   3.5370   15.028   6.6925   14.648   6.7302 0.3798723 9.491352 
1 1 1   18   10   25 o   12.802   5.6877   0.3507   2.2879   1.6881   3.2659  -0.9381   3.2060   15.780   6.9115   13.145   6.1635 2.634753 9.260500 
1 1 1   18   10   26 o   12.299   5.5381   0.3337   2.2481  -0.3361   3.2359   0.9585   3.1255   13.147   6.1731   14.173   6.4410 -1.025867 8.921544 
1 1 1   18   11    0 o   20.161   9.0646   4.6946   3.0672   4.6946   3.0672   4.6946   3.0672   20.161   9.0646   20.161   9.0646 0.000000 0.000000 
1 1 1   18   11    1 o   92.839   2.0298   67.777   2.9572   63.890   4.1504   71.785   4.2146   89.983   2.9431   95.407   2.8180 -5.424911 4.074686 
1 1 1   18   11    2 o   48.670   3.1281   18.760   2.3765   23.239   3.3936   14.449   3.3290   54.040   4.0307   42.322   5.1161 11.71820 6.513111 
1 1 1   18   11    3 o   72.011   2.3282   40.852   2.6275   37.549   3.6735   44.312   3.7598   68.874   3.4094   74.870   3.2074 -5.995781 4.680947 
1 1 1   18   11    4 o   91.544   2.0206   65.908   2.9028   70.160   4.1775   61.939   4.0364   94.305   2.8260   88.588   2.9074 5.716919 4.054474 
1 1 1   18   11    5 o   21.367   6.1488   3.7478   2.1725   3.9358   3.0852   3.5630   3.0597   22.516   7.4779   21.761   7.4472 0.7554359 10.55365 
1 1 1   18   11    6 o   21.579   6.2098   3.8309   2.2159   5.7923   3.1059   1.7975   3.1623   26.321   7.2762   18.799   7.3659 7.522036 10.35374 
1 1 1   18   11    7 o   24.061   6.2512   4.8347   2.3814   5.3770   3.3436   4.2765   3.3926   25.510   7.7053   23.416   7.8431 2.093420 10.99476 
1 1 1   18   11    8 o  103.812   2.0763   84.833   3.3826   82.737   4.7201   87.046   4.8499  102.315   2.9428  104.946   2.9477 -2.631119 4.165227 
1 1 1   18   11    9 o   34.557   4.7835   9.7160   2.5246   11.983   3.6059   7.5366   3.5358   38.019   6.2615   29.741   7.5605 8.278419 9.816724 
1 1 1   18   11   10 o   64.412   2.8396   32.857   2.8633   34.460   4.0575   31.266   4.0413   65.689   3.9543   62.505   4.1434 3.184254 5.727458 
1 1 1   18   11   11 o   40.132   3.8697   12.944   2.4069   12.062   3.4010   13.829   3.4067   38.146   5.8692   41.047   5.4211 -2.901104 7.989724 
1 1 1   18   11   12 o   37.345   4.3821   11.325   2.5194   10.971   3.5383   11.690   3.5881   36.055   6.4921   37.295   6.3585 -1.239285 9.087255 
1 1 1   18   11   13 o   36.911   4.6237   11.136   2.6196   13.164   3.7267   9.1549   3.6832   39.599   6.2003   32.470   7.3943 7.129257 9.649810 
1 1 1   18   11   14 o   19.906   6.7274   3.1613   2.4958   2.5111   3.4740   3.8549   3.5880   20.028   7.7564   22.351   8.0319 -2.323486 11.16571 
1 1 1   18   11   15 o   29.764   5.9840   7.5634   2.6980   3.9310   3.6196   12.105   4.0473   22.410   8.0654   37.305   7.1740 -14.89454 10.79427 
1 1 1   18   11   16 o   15.272   6.3243   0.7797   2.4766   4.8591   3.4957  -3.3317   3.5094   23.823   7.9610   13.491   6.3637 10.33222 10.19185 
1 1 1   18   11   17 o   90.261   2.3033   64.634   3.2599   69.880   4.6507   59.565   4.5708   93.397   3.1777   86.098   3.3896 7.298958 4.646149 
1 1 1   18   11   18 o   15.652   6.2912   1.2642   2.3634   1.2762   3.3700   1.2525   3.3154   17.615   7.3429   17.486   7.2856 0.1297321 10.34400 
1 1 1   18   11   19 o   12.867   5.7683  -0.6292   2.4089   2.1117   3.3103  -3.7143   3.5120   18.432   7.4327   12.931   6.1758 5.500828 9.663611 
1 1 1   18   11   20 o   32.633   5.1678   9.2975   2.5584   8.1746   3.6493   10.383   3.5878   28.725   7.8660   33.112   7.1164 -4.387104 10.60741 
1 1 1   18   11   21 o   19.301   6.6971   3.4458   2.4773   5.3759   3.5250   1.5621   3.4823   22.971   7.9877   17.213   7.3342 5.757900 10.84405 
1 1 1   18   11   22 o   11.797   5.5308  -1.6484   2.5806  -2.1007   3.6904  -1.2157   3.6099   13.817   6.5203   14.353   6.6666 -0.5354986 9.325090 
1 1 1   18   11   23 o   17.889   6.5783   2.9946   2.4260   7.0366   3.5096  -0.7039   3.3571   25.187   7.9451   14.172   6.5281 11.01507 10.28299 
1 1 1   18   11   24 o   15.007   6.2838   1.4995   2.4846   1.5167   3.4382   1.4807   3.5946   16.183   7.0898   16.312   7.1939 -0.1287289 10.10037 
1 1 1   18   11   25 o   19.865   6.2853   4.3294   2.1950   6.5072   3.1657   2.3132   3.0460   22.753   7.5753   15.979   6.8353 6.774323 10.20329 
1 1 1   18   12    0 o   8.2675   5.8355  -3.6026   3.0387  -3.6026   3.0387  -3.6026   3.0387   8.2675   5.8355   8.2675   5.8355 0.000000 0.000000 
1 1 1   18   12    1 o   54.761   2.8496   23.707   2.4404   26.894   3.4576   20.542   3.4449   58.174   3.8084   50.698   4.3726 7.476017 5.798559 
1 1 1   18   12    2 o   57.037   2.7406   25.701   2.4459   23.823   3.4657   27.564   3.4525   54.682   4.0678   58.903   3.7545 -4.220860 5.535635 
1 1 1   18   12    3 o   61.220   2.7471   29.605   2.6325   30.109   3.5940   29.022   3.8669   61.567   3.7374   60.366   4.1064 1.201797 5.552560 
1 1 1   18   12    4 o   80.107   2.3795   50.582   2.9880   45.817   4.1875   55.524   4.2649   76.029   3.5192   83.771   3.2503 -7.742378 4.790585 
1 1 1   18   12    5 o   45.427   3.8044   16.463   2.6873   13.140   3.7033   20.160   3.9055   39.997   6.0921   50.014   5.0448 -10.01690 7.909723 
1 1 1   18   12    6 o   91.001   2.4956   65.324   3.5606   69.278   5.1298   61.649   4.9460   93.480   3.5031   88.154   3.5827 5.325500 5.010701 
1 1 1   18   12    7 o  114.837   2.0097  103.806   3.6218  104.372   5.0542  103.209   5.1925  114.977   2.8012  114.273   2.8978 0.7031097 4.030373 
1 1 1   18   12    8 o   35.243   4.6406   10.086   2.5042   13.167   3.4879   6.8083   3.5976   40.040   5.7128   28.268   7.8374 11.77140 9.698484 
1 1 1   18   12    9 o   30.763   5.3318   7.8257   2.4808   10.421   3.4595   5.0786   3.5593   35.249   6.4932   24.856   8.0189 10.39238 10.31816 
1 1 1   18   12   10 o   15.566   6.3222   0.9187   2.4146   1.9776   3.3816  -0.1828   3.4491   19.272   7.5971   16.544   7.1764 2.727621 10.45063 
1 1 1   18   12   11 o   50.606   3.4136   20.454   2.6951   20.778   3.7932   20.124   3.8300   50.566   4.8391   49.709   4.9766 0.8575745 6.941436 
1 1 1   18   12   12 o   54.535   3.2624   23.734   2.7793   27.601   3.9408   19.907   3.9202   58.468   4.3256   49.305   5.1421 9.163021 6.719503 
1 1 1   18   12   13 o   33.234   4.8544   9.1216   2.4571   10.549   3.5513   7.8108   3.4031   35.082   6.6948   29.887   7.3158 5.195127 9.916701 
1 1 1   18   12   14 o   11.834   5.4669  -1.6964   2.3785   0.2059   3.3832  -3.5553   3.3445   16.633   7.1608   12.961   6.1431 3.672441 9.434732 
1 1 1   18   12   15 o   36.257   4.4932   10.817   2.5018   10.269   3.5742   11.343   3.5031   34.307   6.8785   36.342   6.3749 -2.034714 9.378273 
1 1 1   18   12   16 o   13.448   5.8859  -0.2383   2.3646   2.3211   3.3934  -2.6542   3.2969   19.330   7.6133   13.440   6.2850 5.890505 9.872377 
1 1 1   18   12   17 o   15.549   6.2542   1.2218   2.3374   0.9578   3.3025   1.4868   3.3086   17.111   7.2097   17.832   7.3397 -0.7204742 10.28843 
1 1 1   18   12   18 o   13.964   5.9947   0.2634   2.3582  -0.7848   3.3390   1.3064   3.3310   15.029   6.7599   17.444   7.2880 -2.415007 9.940400 
1 1 1   18   12   19 o   40.480   4.2627   13.745   2.6673   14.415   3.8064   13.099   3.7388   40.065   6.2586   37.973   6.5080 2.091698 9.029128 
1 1 1   18   12   20 o   31.769   5.3224   8.9689   2.5598   11.498   3.6430   6.5026   3.5975   34.743   6.9247   25.192   8.0555 9.551420 10.62277 
1 1 1   18   12   21 o   17.695   6.6408   2.7333   2.4961   1.4099   3.6120   3.9431   3.4533   16.995   7.3580   20.276   7.7643 -3.281332 10.69691 
1 1 1   18   12   22 o   11.195   5.2679  -1.6728   2.3783   2.0576   3.3365  -5.5264   3.3911   17.186   7.2443   11.052   5.4507 6.134014 9.065896 
1 1 1   18   12   23 o   24.576   6.4275   6.0845   2.5067   9.6738   3.6001   2.7070   3.4922   29.848   7.6510   17.893   7.4681 11.95486 10.69159 
1 1 1   18   12   24 o   14.037   6.0445   1.0984   2.4118  -2.0598   3.3790   4.3786   3.4436   12.617   6.0343   19.421   7.6632 -6.804098 9.753826 
1 1 1   18   12   25 o   17.899   6.4229   3.6714   2.2935   2.1455   3.3956   4.9516   3.1101   15.620   6.9353   19.469   7.3892 -3.849101 10.13402 
1 1 1   18   13    0 o  102.719   3.8419   83.559   6.1734   83.559   6.1734   83.559   6.1734  102.719   3.8419  102.719   3.8419 0.000000 0.000000 
1 1 1   18   13    1 o   59.219   3.6115   27.868   3.3404   22.756   4.8611   32.442   4.5979   52.892   5.9602   63.664   4.6338 -10.77214 7.549581 
1 1 1   18   13    2 o   63.467   3.1798   31.911   3.1570   30.765   4.3383   33.201   4.6026   62.019   4.4878   64.413   4.5832 -2.393898 6.414537 
1 1 1   18   13    3 o   31.057   6.0639   8.0205   2.8493   7.9593   4.0011   8.0835   4.0586   30.569   8.1800   30.796   8.2375 -0.2269402 11.60899 
1 1 1   18   13    4 o   44.265   4.2855   15.729   2.9397   19.540   3.9295   10.885   4.4302   49.148   5.1721   35.711   8.0930 13.43735 9.604607 
1 1 1   18   13    5 o   16.033   6.4402   1.0635   2.4750   1.0870   3.5820   1.0420   3.4236   18.530   7.6330   18.139   7.4661 0.3912754 10.67732 
1 1 1   18   13    6 o  113.210   2.0177  100.916   3.5847  100.834   5.1782  100.992   4.9675  112.911   2.9248  113.071   2.7995 -0.1598816 4.048672 
1 1 1   18   13    7 o   22.593   6.5979   4.2556   2.4848   1.5673   3.5295   6.8971   3.4987   19.020   7.6730   28.398   7.6711 -9.378847 10.84990 
1 1 1   18   13    8 o   78.012   2.4685   48.092   3.0182   49.335   4.3552   46.943   4.1866   78.727   3.5342   76.807   3.4825 1.919922 4.961678 
1 1 1   18   13    9 o   28.624   5.9122   6.8977   2.5678   10.002   3.7525   4.1639   3.5214   34.172   7.2237   23.048   7.9853 11.12390 10.76790 
1 1 1   18   13   10 o   73.055   2.6489   42.281   3.0318   41.133   4.3304   43.385   4.2460   71.670   3.8645   73.677   3.6840 -2.007721 5.339148 
1 1 1   18   13   11 o   95.767   2.2823   72.452   3.4300   73.511   4.9344   71.461   4.7712   96.068   3.2778   94.744   3.2136 1.323334 4.590364 
1 1 1   18   13   12 o   49.440   3.5938   19.630   2.7693   22.503   3.9989   16.983   3.8387   52.449   4.9158   45.260   5.5186 7.188934 7.390522 
1 1 1   18   13   13 o   64.299   2.9590   32.948   2.9778   30.287   4.2226   35.581   4.1999   61.053   4.4375   66.384   4.0508 -5.330254 6.008383 
1 1 1   18   13   14 o   24.692   6.6184   5.3236   2.6166   5.4375   3.7786   5.2186   3.6271   25.013   8.2745   24.560   8.1062 0.4531822 11.58354 
1 1 1   18   13   15 o   37.447   4.6363   11.600   2.6664   7.1196   3.8287   15.820   3.7155   27.963   8.1969   43.345   5.5925 -15.38214 9.922938 
1 1 1   18   13   16 o   37.560   4.9034   11.807   2.8213   12.352   4.1373   11.333   3.8573   37.080   7.3697   35.609   7.1513 1.471298 10.26903 
1 1 1   18   13   17 o   12.322   5.7238  -1.8538   2.6622  -2.9985   3.8412  -0.7958   3.6930   14.280   6.7118   15.815   7.1115 -1.534227 9.778664 
1 1 1   18   13   18 o   32.751   5.7869   9.4778   2.8656   9.7346   4.0662   9.2245   4.0389   31.548   8.1543   30.636   8.2277 0.9118881 11.58398 
1 1 1   18   13   19 o   13.081   5.8516  -0.3864   2.4645  -4.9675   3.4897   4.1714   3.4808   11.868   5.7848   21.237   7.8672 -9.369002 9.765075 
1 1 1   18   13   20 o   13.408   5.9135   0.0806   2.4289  -3.9123   3.4027   4.2290   3.4683   12.135   5.8673   20.872   7.8291 -8.737618 9.783644 
1 1 1   18   13   21 o   20.235   6.6586   4.0395   2.4479   5.1879   3.5565   3.0057   3.3744   22.045   7.9867   18.592   7.5018 3.453104 10.95742 
1 1 1   18   13   22 o   27.187   6.3581   7.3024   2.6640   9.0137   4.1460   6.0991   3.4766   27.651   8.6231   23.361   7.9395 4.289782 11.72149 
1 1 1   18   13   23 f   16.306   6.3881   2.3776   2.3781   1.3160   3.4372   3.3523   3.2936   15.888   7.0197   18.338   7.4071 -2.450080 10.20499 
1 1 1   18   13   24 o   13.649   5.9014   1.1363   2.3174   1.8376   3.2688   0.4277   3.2860   15.503   6.8477   14.102   6.4823 1.401095 9.429262 
1 1 1   18   14    0 o   8.1216   5.7940  -4.7477   3.2905  -4.7477   3.2905  -4.7477   3.2905   8.1216   5.7940   8.1216   5.7940 0.000000 0.000000 
1 1 1   18   14    1 o   22.673   6.4396   4.2851   2.3981   5.0559   3.3439   3.4688   3.4412   24.768   7.7471   21.915   7.8670 2.852976 11.04118 
1 1 1   18   14    2 o   50.447   3.5184   20.272   2.7680   17.248   3.9318   23.244   3.8974   45.980   5.5619   53.744   4.6673 -7.764687 7.260746 
1 1 1   18   14    3 o   73.853   2.6473   43.112   3.0632   46.621   4.3860   39.770   4.2800   76.553   3.6615   70.631   3.8762 5.921280 5.332132 
1 1 1   18   14    4 o   75.685   2.7647   45.315   3.2782   48.912   4.4910   41.212   4.7963   78.399   3.6604   71.761   4.2784 6.637352 5.630567 
1 1 1   18   14    5 o   53.584   3.4022   22.865   2.8461   26.622   4.1496   19.528   3.9110   57.489   4.6389   49.022   5.1612 8.467667 6.939585 
1 1 1   18   14    6 o   72.031   2.5685   41.034   2.8988   49.110   4.1919   33.633   4.0129   78.582   3.4074   64.843   3.9625 13.73878 5.226063 
1 1 1   18   14    7 o   99.600   2.0914   78.206   3.2689   78.312   4.6537   78.102   4.5929   99.381   2.9873   99.260   2.9518 0.1214371 4.199657 
1 1 1   18   14    8 o   56.714   3.0532   25.583   2.7074   25.255   3.9086   25.885   3.7537   55.912   4.4924   56.695   4.2500 -0.7822380 6.184138 
1 1 1   18   14    9 o   34.820   4.8258   9.9575   2.5662   10.878   3.7250   9.1258   3.5403   35.670   6.9040   32.525   7.1329 3.145710 9.926913 
1 1 1   18   14   10 o   34.868   4.8744   10.016   2.5944   10.127   3.6692   9.9049   3.6690   34.249   7.0615   33.835   7.1349 0.4142914 10.03848 
1 1 1   18   14   11 o   86.350   2.4227   59.056   3.2798   56.622   4.5489   61.691   4.7331   84.148   3.4521   87.845   3.4400 -3.697075 4.873497 
1 1 1   18   14   12 o   64.191   2.9322   32.837   2.9459   32.466   4.3109   33.162   4.0351   63.236   4.3709   64.072   4.0336 -0.8354530 5.947658 
1 1 1   18   14   13 o   26.634   6.4813   6.1896   2.6829   4.2454   3.8082   8.1054   3.7803   22.969   8.2721   29.992   7.9170 -7.023130 11.45018 
1 1 1   18   14   14 o   42.915   4.1713   15.055   2.7739   15.002   3.9398   15.107   3.9061   41.881   6.1800   42.076   6.0928 -0.1950111 8.678385 
1 1 1   18   14   15 o   23.817   6.6628   5.0332   2.5875   0.3018   3.5447   10.429   3.7855   16.812   7.2840   34.047   7.3040 -17.23442 10.31531 
1 1 1   18   14   16 o   29.061   5.6636   7.3420   2.4900   8.5011   3.5627   6.2351   3.4816   30.332   7.5218   25.910   7.8703 4.421644 10.88665 
1 1 1   18   14   17 o   43.915   3.8518   15.902   2.6277   14.232   3.7307   17.545   3.7017   40.114   6.1198   45.196   5.3209 -5.082130 8.109486 
1 1 1   18   14   18 o   18.357   6.7290   2.8431   2.5352   3.7421   3.5118   1.8646   3.6637   20.639   7.8475   18.141   7.6156 2.497810 10.93531 
1 1 1   18   14   19 o   9.9209   4.8075  -3.1749   2.3168  -6.6600   3.2761   0.3117   3.2768   10.416   5.1757   15.418   6.8309 -5.001888 8.570218 
1 1 1   18   14   20 o   16.678   6.4102   2.3146   2.3598   2.1901   3.3974   2.4306   3.2803   17.555   7.3492   17.762   7.3094 -0.2075310 10.36521 
1 1 1   18   14   21 o   26.228   6.0376   6.6537   2.4336   9.1687   3.4378   4.1275   3.4453   29.501   7.4307   20.094   7.7397 9.407478 10.72927 
1 1 1   18   14   22 o   16.663   6.7393   2.3449   2.7306   1.9574   3.8607   2.7327   3.8625   17.177   7.5191   18.032   7.7048 -0.8554516 10.76577 
1 1 1   18   14   23 o   19.668   6.4978   4.2240   2.3303   3.0811   3.1644   5.5781   3.4445   17.326   7.1594   21.056   7.8212 -3.729383 10.60322 
1 1 1   18   14   24 o   12.519   5.6800   0.3354   2.4182   2.5279   3.5032  -1.6602   3.3421   15.938   7.0619   12.260   5.8995 3.677743 9.201903 
1 1 1   18   15    0 o   76.791   3.4335   46.813   4.1188   46.813   4.1188   46.813   4.1188   76.791   3.4335   76.791   3.4335 0.000000 0.000000 
1 1 1   18   15    1 o   71.367   2.5665   40.276   2.8698   39.236   4.0062   41.373   4.1129   70.160   3.6511   72.051   3.6493 -1.891182 5.162201 
1 1 1   18   15    2 o   72.878   2.5117   41.989   2.8683   45.847   4.1413   38.432   3.9765   75.897   3.4863   69.424   3.6629 6.473640 5.056784 
1 1 1   18   15    3 o   37.678   4.3561   11.499   2.5283   11.456   3.5616   11.543   3.5896   36.980   6.3669   37.113   6.3941 -0.1325912 9.023397 
1 1 1   18   15    4 o   44.398   4.3850   15.929   3.0154   11.569   4.1918   20.604   4.3408   36.717   7.5278   50.123   5.6150 -13.40564 9.391313 
1 1 1   18   15    5 o   57.021   3.0807   25.857   2.7465   25.005   3.9342   26.666   3.8359   55.637   4.5455   57.559   4.2772 -1.921856 6.241490 
1 1 1   18   15    6 o   50.010   3.4308   19.987   2.6763   21.601   3.9020   18.554   3.6776   51.535   4.8831   47.693   4.9872 3.841888 6.979727 
1 1 1   18   15    7 o   53.209   3.4393   22.634   2.8565   26.776   4.1368   18.859   3.9491   57.481   4.6250   47.912   5.3431 9.568577 7.066794 
1 1 1   18   15    8 o   59.746   3.4592   28.545   3.2294   33.813   5.1265   25.080   4.1583   64.349   5.1187   55.492   4.8229 8.856613 7.032877 
1 1 1   18   15    9 o   48.954   4.1315   19.388   3.1444   24.838   4.5863   14.555   4.3193   54.902   5.3927   41.233   6.9200 13.66933 8.773105 
1 1 1   18   15   10 o   59.079   3.4948   27.991   3.2257   33.399   4.7366   23.313   4.4050   63.987   4.7509   53.120   5.3573 10.86701 7.160457 
1 1 1   18   15   11 o   62.339   3.4006   31.158   3.3142   30.419   5.1962   31.665   4.3030   60.548   5.5297   62.390   4.4236 -1.842236 7.081351 
1 1 1   18   15   12 o   26.414   6.3482   6.0816   2.5987   5.9061   3.6754   6.2570   3.6748   25.785   8.1301   26.444   8.0963 -0.6590462 11.47380 
1 1 1   18   15   13 o   22.164   6.6406   4.2732   2.4908   3.7479   3.5524   4.7812   3.4935   21.775   7.9680   23.538   7.9592 -1.762918 11.26222 
1 1 1   18   15   14 o   79.724   2.4831   50.590   3.1029   53.481   4.4623   47.884   4.3175   81.407   3.5012   76.970   3.5843 4.436836 5.010508 
1 1 1   18   15   15 o   14.915   6.2677   0.6758   2.4855  -3.6828   3.5610   4.8162   3.4707   13.157   6.2656   23.226   7.9321 -10.06837 10.10823 
1 1 1   18   15   16 o   36.577   4.8555   11.371   2.7182   7.2027   3.7394   16.042   3.9582   27.272   8.1284   42.678   6.0819 -15.40622 10.15187 
1 1 1   18   15   17 o   53.732   3.5147   23.745   2.9474   26.907   4.2532   20.822   4.0882   56.051   4.8840   48.791   5.4313 7.259674 7.304277 
1 1 1   18   15   18 o   30.424   6.9127   8.9641   3.2251   5.8718   4.4983   12.235   4.6265   23.597   8.9022   33.849   8.6716 -10.25202 12.42761 
1 1 1   18   15   19 o   10.604   5.1110  -2.9541   2.5323  -5.0904   3.6486  -0.9688   3.5173   11.893   5.8222   14.404   6.6519 -2.511499 8.840006 
1 1 1   18   15   20 o   15.615   6.4384   1.6550   2.5518   3.0481   3.6907   0.3791   3.5320   18.680   7.7266   15.473   6.9566 3.207304 10.39687 
1 1 1   18   15   21 o   11.918   5.5237  -1.0072   2.4581  -1.7331   3.5449  -0.3348   3.4116   13.517   6.3820   14.432   6.6233 -0.9154959 9.197707 
1 1 1   18   15   22 o   14.142   6.1133   1.0571   2.4856   4.3199   3.5382  -2.1222   3.4927   19.429   7.7352   12.823   6.1333 6.606288 9.871749 
1 1 1   18   15   23 o   14.218   6.0732   1.5671   2.3984   1.0445   3.5145   2.0227   3.2813   14.710   6.7403   15.499   6.8527 -0.7891397 9.612039 
1 1 1   18   16    0 o   68.716   3.8350   37.712   4.1058   37.712   4.1058   37.712   4.1058   68.716   3.8350   68.716   3.8350 0.000000 0.000000 
1 1 1   18   16    1 o   29.814   5.6398   7.4493   2.5421   8.7783   3.6113   6.1439   3.5790   31.862   7.3693   26.712   7.9497 5.149755 10.84000 
1 1 1   18   16    2 o   40.994   4.0520   13.568   2.5727   16.266   3.6552   10.918   3.6216   44.492   5.3417   35.860   6.6812 8.631702 8.554093 
1 1 1   18   16    3 o   15.693   6.3706   0.9769   2.4502   2.7674   3.4511  -0.8430   3.4794   20.513   7.7841   15.814   7.0209 4.698779 10.48259 
1 1 1   18   16    4 o   47.746   4.3004   18.440   3.1877   18.070   4.9597   18.700   4.1610   46.128   7.0770   47.565   5.6869 -1.437511 9.078835 
1 1 1   18   16    5 o   24.715   6.7628   5.2475   2.6987   8.7280   3.8953   2.0351   3.7423   31.507   7.8951   19.828   7.9347 11.67932 11.19337 
1 1 1   18   16    6 o   40.481   4.4399   13.349   2.7743   12.216   3.9674   14.434   3.8809   37.732   6.9564   41.449   6.1528 -3.717461 9.287055 
1 1 1   18   16    7 o   59.999   3.2330   28.753   3.0328   28.750   4.2822   28.755   4.2960   59.456   4.6259   59.454   4.6411 0.1998901E-02 6.552749 
1 1 1   18   16    8 o   31.741   6.2455   8.6206   3.0001   7.9754   4.1859   9.3020   4.3021   29.789   8.5232   32.139   8.4277 -2.350161 11.98631 
1 1 1   18   16    9 o   42.843   4.2798   14.961   2.8390   17.363   4.1142   12.779   3.9227   45.463   5.9060   38.524   6.7334 6.938763 8.956526 
1 1 1   18   16   10 o   38.544   4.8667   12.301   2.8782   11.898   4.1200   12.685   4.0226   36.714   7.4067   38.167   6.9728 -1.453396 10.17246 
1 1 1   18   16   11 o   23.026   7.4467   4.5817   3.0683   1.9440   4.5811   6.7277   4.1320   20.642   8.5793   27.239   8.6245 -6.596945 12.16495 
1 1 1   18   16   12 o   16.437   6.7721   1.1044   2.8204   4.1690   3.8238  -2.5521   4.1767   22.650   8.2701   15.522   7.1964 7.127643 10.96279 
1 1 1   18   16   13 o   28.335   6.8923   7.2170   3.0350   6.2809   4.3423   8.1111   4.2437   26.112   8.8732   29.266   8.6432 -3.154030 12.38705 
1 1 1   18   16   14 o   15.613   6.7094   0.4365   2.9600   0.4356   4.2080   0.4375   4.1646   17.977   7.8602   17.905   7.8245 0.7153130E-01 11.09079 
1 1 1   18   16   15 o   50.409   4.1009   21.052   3.2161   22.065   4.6646   20.133   4.4403   50.125   6.0525   47.866   6.0459 2.258923 8.554837 
1 1 1   18   16   16 f   61.646   3.3763   31.125   3.2538   35.716   4.9326   27.588   4.3294   64.586   4.9033   56.720   4.9123 7.865166 6.940652 
1 1 1   18   16   17 o   40.616   4.1894   14.017   2.6320   15.192   3.8336   12.968   3.6201   40.562   6.2207   37.251   6.4246 3.311199 8.942716 
1 1 1   18   16   18 o   20.450   6.8846   4.1168   2.6138   6.0805   3.8585   2.4515   3.5533   23.578   8.3448   18.108   7.5434 5.470701 11.24892 
1 1 1   18   16   19 o   12.781   5.7391  -0.1883   2.3956   0.5691   3.3733  -0.9591   3.4027   15.438   6.8798   14.037   6.5034 1.401200 9.467113 
1 1 1   18   16   20 o   15.954   6.3381   2.0706   2.3706   2.8225   3.4012   1.3603   3.3058   17.969   7.4234   16.042   6.9914 1.926777 10.19740 
1 1 1   18   16   21 o   12.398   5.6234  -0.2181   2.3678   1.1280   3.3496  -1.5625   3.3475   15.486   6.8811   13.063   6.1780 2.422791 9.247529 
1 1 1   18   16   22 o   15.563   6.2769   2.3574   2.3613   3.1336   3.3317   1.5739   3.3472   17.005   7.2068   15.222   6.8136 1.782491 9.917836 
1 1 1   18   16   23 o   12.024   5.4814   0.2000   2.2856  -1.8771   3.2358   2.2685   3.2290   11.823   5.7177   15.307   6.7812 -3.483939 8.869977 
1 1 1   18   17    0 o   24.901   11.576   7.6582   5.0179   7.6582   5.0179   7.6582   5.0179   24.901   11.576   24.901   11.576 0.000000 0.000000 
1 1 1   18   17    1 o   15.962   6.9032  -0.0101   3.1723  -2.6395   4.5966   2.3811   4.3835   16.639   7.6550   21.247   8.5582 -4.608400 11.48226 
1 1 1   18   17    2 o   36.448   5.8600   11.155   3.2382   15.122   4.6831   7.5212   4.4824   41.836   7.4040   29.094   8.9482 12.74165 11.61420 
1 1 1   18   17    3 o   16.844   7.0464   0.7799   3.1197   6.3879   4.4755  -4.5201   4.3509   27.165   9.0060   14.758   6.9984 12.40677 11.40554 
1 1 1   18   17    4 o   11.259   5.4211  -3.9907   2.8325  -1.0716   3.9130  -7.2038   4.1054   16.469   7.3696   12.655   6.1915 3.813600 9.625230 
1 1 1   18   17    5 o   47.694   4.1078   18.429   3.0446   20.128   4.3043   16.728   4.3071   49.181   5.6812   44.468   6.3524 4.713032 8.522299 
1 1 1   18   17    6 o   14.039   6.2294  -0.6422   2.7354   1.3328   3.9771  -2.4152   3.7683   19.148   7.9790   14.896   6.8810 4.252108 10.53626 
1 1 1   18   17    7 o   13.287   6.0138  -1.1795   2.6910  -0.2381   3.7801  -2.1467   3.8316   16.938   7.4268   15.242   7.0038 1.696609 10.20835 
1 1 1   18   17    8 o   77.516   3.0790   47.999   3.7380   51.694   5.0519   43.529   5.5569   79.943   4.0400   72.834   4.8900 7.108734 6.342987 
1 1 1   18   17    9 o   39.355   4.6230   12.784   2.8008   11.002   3.9869   14.519   3.9353   35.147   7.4594   41.167   6.2908 -6.019718 9.757922 
1 1 1   18   17   10 o   51.038   3.7342   21.102   2.9702   21.830   4.2017   20.376   4.1992   51.113   5.3158   49.246   5.5291 1.867260 7.669977 
1 1 1   18   17   11 o   10.871   5.3362  -5.7329   3.1274  -5.4492   4.3447  -6.0379   4.5054   13.921   6.7058   13.938   6.7420 -0.1673889E-01 9.509090 
1 1 1   18   17   12 o   13.578   6.1169  -0.8796   2.7462  -1.4081   3.7550  -0.2719   4.0267   15.425   7.0295   17.036   7.5587 -1.610881 10.32224 
1 1 1   18   17   13 o   41.049   4.5580   14.086   2.8867   12.733   4.0590   15.471   4.1064   37.400   7.1768   41.829   6.4639 -4.428783 9.658554 
1 1 1   18   17   14 o   29.051   6.3596   7.6708   2.8188   7.9933   3.9624   7.3403   4.0107   28.414   8.3413   27.189   8.4814 1.225616 11.89592 
1 1 1   18   17   15 o   22.404   6.9843   4.7757   2.7202   1.2831   3.8428   8.2832   3.8510   17.666   7.6188   28.533   8.1788 -10.86669 11.17761 
1 1 1   18   17   16 o   50.945   3.6754   21.639   2.9187   17.254   4.0591   26.332   4.1997   43.283   6.1487   54.986   4.9189 -11.70316 7.874094 
1 1 1   18   17   17 o   26.824   6.4991   7.0230   2.7067   5.6705   3.8571   8.3352   3.7992   22.875   8.3130   27.634   8.1824 -4.758522 11.66441 
1 1 1   18   17   18 o   30.194   6.3320   8.8910   2.9043   13.779   4.1343   4.1283   4.0808   36.443   7.4799   20.244   8.2202 16.19891 11.11398 
1 1 1   18   17   19 o   15.700   6.5722   1.6658   2.7167   3.4363   3.9000  -0.0032   3.7864   19.032   7.9135   15.315   7.0095 3.716788 10.57152 
1 1 1   18   17   20 o   16.414   6.6404   2.3447   2.6517   1.3033   3.8807   3.2567   3.6318   16.301   7.3134   18.273   7.6203 -1.971703 10.56195 
1 1 1   18   17   21 o   19.485   7.1864   4.5638   2.8988   2.2925   4.1626   6.7025   4.0393   16.592   7.4975   21.678   8.3722 -5.085590 11.23861 
1 1 1   18   17   22 o   9.7819   4.8007  -3.0946   2.5280  -1.6186   3.7375  -4.3393   3.4322   12.708   6.1457   10.835   5.3690 1.872655 8.160583 
1 1 1   18   18    0 o   24.075   9.7599   6.6628   3.6083   6.6628   3.6083   6.6628   3.6083   24.075   9.7599   24.075   9.7599 0.000000 0.000000 
1 1 1   18   18    1 o   13.075   5.8790  -0.9545   2.5232   2.2951   3.5617  -4.2285   3.5750   19.726   7.7904   13.058   6.2346 6.668421 9.978032 
1 1 1   18   18    2 o   17.329   6.6696   1.8669   2.5571   2.2296   3.6797   1.5282   3.5560   19.805   7.8872   18.626   7.6316 1.178654 10.97490 
1 1 1   18   18    3 o   67.944   2.9565   36.812   3.1449   36.208   4.3538   37.471   4.5476   66.858   4.1703   67.959   4.2860 -1.100365 5.980084 
1 1 1   18   18    4 o   49.378   3.8092   19.706   2.9289   20.567   4.1359   18.841   4.1484   49.749   5.3832   47.445   5.6847 2.304668 7.829134 
1 1 1   18   18    5 o   24.527   7.0640   5.2771   2.8662   3.1619   4.0303   7.4416   4.0771   21.539   8.3509   28.633   8.4758 -7.093801 11.89858 
1 1 1   18   18    6 o   42.846   4.4393   15.061   2.9417   14.633   4.1780   15.483   4.1426   41.132   6.7033   42.492   6.4117 -1.360321 9.276052 
1 1 1   18   18    7 o   27.521   6.7608   6.6897   2.8985   7.0264   3.9154   6.2814   4.3113   27.762   8.3277   26.460   8.8411 1.301563 12.14556 
1 1 1   18   18    8 o   20.903   7.2021   3.6167   2.8630   5.3609   3.7815   1.2743   4.3822   24.656   8.2807   19.488   8.2626 5.168303 11.69785 
1 1 1   18   18    9 o   30.434   5.7203   7.9764   2.6318   7.9446   3.7470   8.0074   3.6972   29.368   7.9411   29.524   7.8465 -0.1550922 11.16376 
1 1 1   18   18   10 o   16.844   6.6955   1.6475   2.6469   2.6240   3.6900   0.6124   3.7989   19.948   7.9131   17.563   7.5748 2.384520 10.95419 
1 1 1   18   18   11 o   28.004   7.0272   7.1621   3.0829   6.7427   4.2283   7.6380   4.5045   26.615   8.7508   28.057   9.0182 -1.441893 12.56598 
1 1 1   18   18   12 o   19.845   6.9026   3.3769   2.6325   3.2110   3.7132   3.5445   3.7326   20.500   7.9965   21.015   8.0658 -0.5152493 11.35786 
1 1 1   18   18   13 o   23.708   6.7613   5.2587   2.6384   6.3427   3.7163   4.1573   3.7463   25.330   8.1957   21.614   8.1306 3.716042 11.54451 
1 1 1   18   18   14 o   25.160   6.5610   5.9977   2.6169   7.6830   3.6883   4.2895   3.7134   27.433   8.0461   21.440   8.0884 5.992670 11.40884 
1 1 1   18   18   15 o   28.870   5.9097   7.7336   2.5872   2.1587   3.6444   13.398   3.6736   18.047   7.5870   37.718   6.4371 -19.67134 9.949844 
1 1 1   18   18   16 o   33.954   4.9619   10.296   2.5658   13.909   3.6607   6.8057   3.5974   38.200   6.3278   24.950   8.0627 13.24989 10.24930 
1 1 1   18   18   17 o   12.127   5.6446  -1.2400   2.6095  -1.5200   3.7481  -0.9766   3.6353   14.154   6.6452   14.387   6.6851 -0.2337332 9.425977 
1 1 1   18   18   18 o   13.319   6.0084  -0.1002   2.6600   1.8854   3.7704  -2.0677   3.7532   17.102   7.4596   13.638   6.4768 3.463396 9.878956 
1 1 1   18   18   19 o   17.434   6.7209   2.9624   2.5996   1.9993   3.7244   3.8774   3.6301   16.853   7.3811   19.085   7.7517 -2.232300 10.70374 
1 1 1   18   18   20 o   16.150   6.4092   2.5928   2.4215   3.0308   3.4347   2.1599   3.4146   17.121   7.2891   16.090   7.0567 1.031158 10.14538 
1 1 1   18   18   21 o   15.847   6.3577   2.7533   2.4089  -0.7043   3.3547   6.4337   3.4611   12.848   6.1078   21.022   7.8339 -8.173533 9.933555 
1 1 1   18   19    0 o   9.8174   6.7962  -2.6159   3.5888  -2.6159   3.5888  -2.6159   3.5888   9.8174   6.7962   9.8174   6.7962 0.000000 0.000000 
1 1 1   18   19    1 o   12.168   5.6284  -1.7657   2.5329  -3.1833   3.5849  -0.3525   3.5793   13.752   6.4699   16.289   7.1814 -2.536970 9.666038 
1 1 1   18   19    2 o   17.751   6.7378   2.1255   2.5861   5.9250   3.7239  -1.4135   3.5940   25.750   8.1916   15.254   6.9224 10.49542 10.72485 
1 1 1   18   19    3 o   17.804   6.7882   2.1198   2.6322   1.0989   3.7377   3.1242   3.7074   18.241   7.6770   20.970   8.0411 -2.728962 11.11730 
1 1 1   18   19    4 o   34.589   5.1394   10.049   2.7050   10.842   3.8540   9.2797   3.7976   34.899   7.2732   32.038   7.6576 2.860809 10.56116 
1 1 1   18   19    5 o   39.889   4.4334   13.118   2.7284   14.606   3.8799   11.663   3.8375   41.233   6.1868   36.344   6.9821 4.889263 9.328789 
1 1 1   18   19    6 o   13.349   5.9988  -0.8541   2.6229  -1.4710   3.7033  -0.2333   3.7154   15.364   6.9936   16.595   7.3165 -1.231284 10.12133 
1 1 1   18   19    7 o   37.238   5.1076   11.681   2.9062   13.990   3.9714   9.0203   4.2641   39.986   6.5559   30.929   8.5161 9.057032 10.74730 
1 1 1   18   19    8 o   28.904   6.3005   7.3971   2.7770   6.2540   3.9296   8.5375   3.9248   25.933   8.4305   30.140   8.1178 -4.206823 11.70350 
1 1 1   18   19    9 f   48.813   4.0818   19.604   3.0982   26.815   4.4484   12.812   4.3175   56.456   5.0750   37.271   7.6384 19.18433 9.170711 
1 1 1   18   19   10 o   24.753   7.1576   5.6698   2.9372   10.326   4.1232   0.8728   4.1852   32.871   8.0568   18.247   7.9102 14.62410 11.29080 
1 1 1   18   19   11 o   20.393   7.6636   3.4916   3.3265   4.7151   4.4563   1.9519   4.9990   22.942   8.8112   20.180   8.6962 2.762821 12.37981 
1 1 1   18   19   12 o   14.094   6.2642  -0.1784   2.7775   0.5196   3.9054  -0.8929   3.9509   16.969   7.4905   15.725   7.1830 1.244483 10.37803 
1 1 1   18   19   13 o   11.068   5.3748  -3.9775   2.9358  -1.7532   4.2164  -6.0704   4.0900   15.299   7.1393   12.474   6.1188 2.825216 9.402607 
1 1 1   18   19   14 o   16.420   6.6970   1.8569   2.7230   4.1674   3.8626  -0.4257   3.8392   20.753   8.1381   15.506   7.0823 5.247011 10.78827 
1 1 1   18   19   15 o   18.494   6.9557   3.2023   2.7416   4.5733   3.9203   1.8900   3.8354   20.969   8.2058   17.531   7.5861 3.438747 11.17515 
1 1 1   18   19   16 o   18.204   6.6971   3.1887   2.5148   3.5995   3.5659   2.7822   3.5472   19.223   7.7273   18.107   7.5394 1.116089 10.79601 
1 1 1   18   19   17 o   15.969   6.4927   2.0091   2.5498   2.4997   3.6100   1.5207   3.6020   17.603   7.4827   16.477   7.2363 1.126080 10.40933 
1 1 1   18   19   18 o   9.2447   4.5680  -4.2333   2.4222  -2.8399   3.4227  -5.6313   3.4284   12.320   5.9390   10.818   5.3614 1.502151 8.001031 
1 1 1   18   19   19 o   14.612   6.1758   1.6518   2.4356   2.2481   3.4577   1.0645   3.4315   16.193   7.1014   14.949   6.7760 1.243754 9.815463 
1 1 1   18   19   20 o   15.180   6.2706   2.3554   2.4265   6.0232   3.4530  -1.2225   3.4105   20.355   7.7715   12.555   6.0202 7.800022 9.830493 
1 1 1   18   20    0 o   8.5886   6.1275  -5.0105   3.6820  -5.0105   3.6820  -5.0105   3.6820   8.5886   6.1275   8.5886   6.1275 0.000000 0.000000 
1 1 1   18   20    1 o   24.413   6.7659   5.3116   2.6817   4.9544   3.8442   5.6502   3.7429   23.841   8.3381   25.022   8.2335 -1.181257 11.71813 
1 1 1   18   20    2 o   25.314   6.6222   5.7086   2.6604   1.6133   3.7642   9.7956   3.7604   18.770   7.7870   32.845   7.4655 -14.07501 10.78753 
1 1 1   18   20    3 o   45.741   4.0089   17.125   2.8486   17.022   4.0395   17.227   4.0177   44.555   5.9239   44.876   5.8436 -0.3212318 8.321081 
1 1 1   18   20    4 o   13.963   6.1713  -0.3670   2.6590   1.9998   3.7723  -2.7043   3.7487   19.209   7.8642   14.352   6.7084 4.857289 10.33672 
1 1 1   18   20    5 o   15.861   6.5302   1.0936   2.6200  -2.1904   3.6966   4.4083   3.7139   14.607   6.7712   22.661   8.1680 -8.054230 10.60968 
1 1 1   18   20    6 o   12.455   5.7600  -1.6753   2.6509  -0.3923   3.7589  -2.9450   3.7392   16.327   7.2702   14.080   6.6192 2.246965 9.832052 
1 1 1   18   20    7 o   11.705   5.5645  -2.9106   2.7853  -1.7956   3.8061  -4.1962   4.0868   15.076   6.9468   13.934   6.6568 1.141635 9.621375 
1 1 1   18   20    8 o   16.908   6.7575   1.7466   2.7107   1.4637   3.8297   2.0306   3.8372   18.301   7.7401   19.008   7.8719 -0.7069530 11.03975 
1 1 1   18   20    9 f   19.071   7.1497   2.9521   2.8917   1.0063   4.0657   4.9440   4.1136   17.960   7.7911   23.094   8.5529 -5.133163 11.56951 
1 1 1   18   20   10 o   23.673   7.1730   5.3868   2.8944   2.5640   4.0654   8.2886   4.1219   19.481   8.0882   28.307   8.5562 -8.825548 11.77401 
1 1 1   18   20   11 o   13.278   6.1085  -1.1671   2.9263  -1.2637   3.9819  -1.0535   4.3150   15.311   7.0732   16.041   7.3932 -0.7292519 10.23180 
1 1 1   18   20   12 o   15.465   6.4624   1.2927   2.6197  -0.5297   3.6681   3.1901   3.7428   15.197   6.9340   19.443   7.8805 -4.245692 10.49683 
1 1 1   18   20   13 o   16.998   6.6546   2.3786   2.5791   0.3666   3.6447   4.3966   3.6501   15.802   7.0886   20.830   7.9809 -5.028332 10.67441 
1 1 1   18   20   14 o   14.778   6.2995   1.0863   2.5710   1.8045   3.6737   0.3969   3.5994   17.136   7.4197   15.569   7.0091 1.566991 10.20686 
1 1 1   18   20   15 o   12.607   5.8123  -0.8050   2.6693   2.1534   3.6336  -4.2727   3.9340   17.300   7.4342   12.635   6.1552 4.665189 9.651611 
1 1 1   18   20   16 o   12.898   5.9240  -0.5664   2.7366   3.0759   3.9160  -4.0432   3.8260   18.373   7.8011   12.467   6.0727 5.905459 9.886067 
1 1 1   18   20   17 o   15.913   6.6553   2.0326   2.7821   1.9363   3.8027   2.1436   4.0811   16.680   7.3757   17.096   7.5960 -0.4162426 10.58776 
1 1 1   18   20   18 o   14.177   6.2049   1.2421   2.6278  -2.1278   3.6421   4.9014   3.7952   12.682   6.1168   19.288   7.8914 -6.605977 9.984446 
1 1 1   18   20   19 o   11.869   5.5687  -0.5258   2.6243   1.7777   3.7646  -2.7033   3.6601   15.121   6.9463   11.975   5.8559 3.146595 9.085276 
1 1 1   18   21    0 o   25.053   10.230   7.5327   3.9563   7.5327   3.9563   7.5327   3.9563   25.053   10.230   25.053   10.230 0.000000 0.000000 
1 1 1   18   21    1 o   20.204   6.9574   3.4958   2.6716   8.0518   3.7696  -1.1022   3.7869   29.111   8.0038   15.656   7.1050 13.45567 10.70241 
1 1 1   18   21    2 o   23.164   6.9315   4.8788   2.7151   4.1677   3.8397   5.5899   3.8398   22.168   8.2532   24.515   8.3438 -2.347088 11.73604 
1 1 1   18   21    3 o   16.042   6.6292   1.1631   2.7132   0.9185   3.7979   1.4182   3.8776   17.687   7.6004   18.395   7.7845 -0.7077427 10.87957 
1 1 1   18   21    4 o   36.534   5.3327   11.489   2.9673   13.239   4.2859   9.8774   4.1123   37.757   7.4978   32.015   8.1617 5.741787 11.08292 
1 1 1   18   21    5 o   9.9792   4.9308  -5.6456   2.8218  -1.5409   3.9790  -9.7984   4.0022   15.519   7.1334   10.982   5.4974 4.537252 9.005976 
1 1 1   18   21    6 o   14.861   6.4991   0.1554   2.8784  -2.0334   4.0252   2.4457   4.1175   15.130   7.0318   19.685   8.1535 -4.554640 10.76685 
1 1 1   18   21    7 o   15.531   6.8198   0.2600   3.1983   1.8823   4.4422  -1.4861   4.6087   19.223   8.2394   16.455   7.6045 2.767672 11.21234 
1 1 1   18   21    8 o   23.848   6.8925   5.4558   2.7244   5.2344   3.8958   5.6677   3.8112   23.022   8.3564   23.743   8.3024 -0.7215195 11.77958 
1 1 1   18   21    9 o   12.056   5.6582  -1.9098   2.7130   0.1745   3.7924  -4.0948   3.8829   16.220   7.2569   13.121   6.3252 3.099131 9.626615 
1 1 1   18   21   10 o   23.276   7.2249   5.4541   2.9143   4.6369   4.1346   6.2610   4.1084   21.589   8.4333   24.015   8.5989 -2.425682 12.04415 
1 1 1   18   21   11 o   14.753   6.6041   0.1226   3.1455  -1.4901   4.1174   2.3831   4.8748   14.989   7.0142   19.124   8.4080 -4.135012 10.94958 
1 1 1   18   21   12 o   12.790   5.9196  -1.0418   2.8085  -3.8949   3.9519   1.8694   3.9920   13.005   6.2967   17.570   7.6695 -4.564247 9.923167 
1 1 1   18   21   13 o   17.957   7.0799   2.9827   2.9372   1.6710   4.0047   4.5097   4.3210   17.177   7.5835   20.519   8.4104 -3.341980 11.32454 
1 1 1   18   21   14 o   13.029   6.0438  -0.9109   2.9519  -3.5382   4.1425   1.7994   4.2075   13.322   6.4491   17.313   7.7014 -3.990971 10.04503 
1 1 1   18   21   15 o   11.903   5.6652  -2.0173   2.9031   3.0851   4.1317  -6.9930   4.0801   18.318   7.9001   11.487   5.7188 6.831929 9.752727 
1 1 1   18   21   16 o   14.816   6.4989   1.2169   2.8972   1.5227   4.1475   0.9254   4.0489   16.372   7.4324   15.777   7.2312 0.5953865 10.36974 
1 1 1   18   21   17 o   14.983   6.8590   1.2113   3.6278  -8.5542   5.0645   11.503   5.1990   11.852   5.9670   25.479   9.5795 -13.62701 11.28592 
1 1 1   18   21   18 o   11.997   5.7164  -0.9553   2.9737  -0.9318   4.3587  -0.9757   4.0674   13.616   6.5973   13.319   6.4339 0.2972107 9.215198 
1 1 1   18   22    0 o   14.271   9.2841   0.9122   5.0089   0.9122   5.0089   0.9122   5.0089   14.271   9.2841   14.271   9.2841 0.000000 0.000000 
1 1 1   18   22    1 o   15.235   6.8638  -0.5116   3.4582  -4.1862   5.0341   2.7721   4.7589   15.439   7.3791   20.549   8.6562 -5.109810 11.37453 
1 1 1   18   22    2 o   19.556   7.6329   3.0664   3.3847   6.5710   5.0375   0.1820   4.5700   25.261   9.4436   17.730   7.9468 7.531090 12.34238 
1 1 1   18   22    3 o   15.917   6.8795   0.7153   3.1468   0.8572   3.9932   0.4829   5.1116   17.460   7.6449   18.644   8.3767 -1.184584 11.34081 
1 1 1   18   22    4 o   12.434   5.7939  -1.7084   2.7613  -4.5828   3.9154   1.1359   3.8949   13.001   6.2881   17.532   7.6154 -4.531312 9.875968 
1 1 1   18   22    5 o   29.367   6.3616   8.0582   2.8468   5.4135   3.9623   10.880   4.0930   23.179   8.4254   32.755   8.0264 -9.575840 11.63658 
1 1 1   18   22    6 f   30.138   6.3061   8.5099   2.8866   9.0691   4.1171   7.9694   4.0482   29.174   8.4854   27.280   8.5227 1.893923 12.02658 
1 1 1   18   22    7 o   25.825   7.4805   6.8023   3.2057   5.5198   4.5477   8.0689   4.5195   22.907   8.8736   26.689   9.0526 -3.781652 12.67636 
1 1 1   18   22    8 o   13.973   6.1884   0.1541   2.6871   1.0018   3.8604  -0.6427   3.7426   16.835   7.4386   15.115   6.9369 1.720050 10.17125 
1 1 1   18   22    9 o   21.767   6.9511   4.8064   2.6794   1.7535   3.7690   7.9256   3.8098   17.356   7.5152   26.661   8.2583 -9.304939 11.16592 
1 1 1   18   22   10 o   23.267   6.8861   5.5776   2.6913   3.7948   3.8196   7.3353   3.7928   19.688   7.9678   25.299   8.2863 -5.610899 11.49560 
1 1 1   18   22   11 o   28.504   6.4845   8.1302   2.8350   9.7925   3.9504   6.3649   4.0710   29.238   8.2517   23.118   8.5180 6.120226 11.85947 
1 1 1   18   22   12 o   14.722   6.3534   1.0711   2.6761   0.8582   3.7627   1.2890   3.8068   15.951   7.1751   16.420   7.3134 -0.4686050 10.24541 
1 1 1   18   22   13 o   14.531   6.2914   1.0390   2.6408   1.1854   3.7517   0.8954   3.7179   16.117   7.2138   15.799   7.1174 0.3174477 10.13391 
1 1 1   18   22   14 o   24.953   7.0131   6.8498   2.8596   5.5095   4.0008   8.2498   4.0890   21.007   8.2688   25.115   8.6088 -4.108101 11.93670 
1 1 1   18   22   15 o   11.579   5.5205  -1.7093   2.7816   0.6677   3.9649  -4.0131   3.9033   15.181   7.0287   12.153   5.9647 3.027190 9.218515 
1 1 1   18   22   16 o   15.299   6.4663   2.3095   2.6701  -1.0564   3.6617   6.1314   3.9019   13.068   6.2584   20.091   8.0807 -7.023188 10.22085 
1 1 1   18   22   17 o   10.004   4.8857  -2.5313   2.5239  -2.4265   3.5573  -2.6375   3.5815   11.789   5.7669   11.711   5.7405 0.7883263E-01 8.136987 
1 1 1   18   23    0 o   17.008   9.6220   4.0873   3.9476   4.0873   3.9476   4.0873   3.9476   17.008   9.6220   17.008   9.6220 0.000000 0.000000 
1 1 1   18   23    1 o   22.110   7.1245   4.8549   2.8102   4.4413   3.9395   5.2834   4.0098   21.298   8.2566   22.555   8.4267 -1.256159 11.79748 
1 1 1   18   23    2 o   23.933   6.9653   5.6994   2.7734   1.5311   3.9231   9.8639   3.9213   17.584   7.6404   30.614   8.0549 -13.03034 11.10210 
1 1 1   18   23    3 o   13.182   6.1724  -1.7539   3.1973  -1.6823   4.5375  -1.8246   4.5061   15.633   7.3307   15.488   7.2762 0.1449537 10.32871 
1 1 1   18   23    4 o   27.049   6.8654   7.2795   2.9187   5.0614   4.1097   9.5369   4.1459   21.962   8.4546   29.332   8.5102 -7.370491 11.99603 
1 1 1   18   23    5 o   39.757   5.0773   14.142   3.0956   11.202   4.3512   17.155   4.4050   31.728   8.5481   41.742   6.9703 -10.01327 11.02973 
1 1 1   18   23    6 o   18.301   7.1624   3.0231   2.9870   5.7188   4.2362   0.3575   4.2125   22.556   8.6087   16.471   7.4823 6.085579 11.40590 
1 1 1   18   23    7 o   11.267   5.5458  -5.2796   3.4546 -12.5677   6.0073  -1.6786   4.2227   12.911   6.5000   14.811   6.9846 -1.899920 9.541249 
1 1 1   18   23    8 o   12.052   5.7213  -2.0954   2.9236  -1.2658   4.0692  -2.9805   4.2032   14.764   6.9292   13.853   6.6530 0.9109917 9.606076 
1 1 1   18   23    9 o   15.675   6.8218   1.2852   3.1381   0.6587   4.4281   1.9172   4.4478   16.581   7.5857   17.678   7.8875 -1.096659 10.94334 
1 1 1   18   23   10 o   27.102   6.9268   7.7421   2.9568   7.2869   4.2304   8.1769   4.1344   24.005   8.7086   25.570   8.6585 -1.564528 12.28044 
1 1 1   18   23   11 o   18.445   7.1367   3.4871   2.9391   4.9858   4.1911   2.0368   4.1227   20.570   8.3385   17.247   7.6505 3.322712 11.31634 
1 1 1   18   23   12 o   17.669   6.8382   3.1647   2.6989   5.5668   3.7724   0.6459   3.8629   21.246   8.1201   15.519   7.0942 5.727293 10.78262 
1 1 1   18   23   13 f   12.582   5.7797  -0.2844   2.6066   0.6771   3.6807  -1.2519   3.6919   15.034   6.8921   13.541   6.4287 1.492320 9.424922 
1 1 1   18   23   14 o   10.247   4.9876  -2.6952   2.5678  -0.8987   3.6667  -4.4241   3.5971   13.333   6.3517   11.238   5.5556 2.094858 8.438586 
1 1 1   18   23   15 o   12.720   5.7959   0.5184   2.5517   2.7608   3.6121  -1.7155   3.6053   15.835   7.0836   12.374   5.9964 3.461017 9.280897 
1 1 1   18   23   16 o   10.102   4.9265  -2.3122   2.5386  -4.5672   3.5647   0.0083   3.6160   10.682   5.3224   13.190   6.2902 -2.508289 8.239811 
1 1 1   18   24    0 o   14.332   8.8579   2.5221   3.9277   2.5221   3.9277   2.5221   3.9277   14.332   8.8579   14.332   8.8579 0.000000 0.000000 
1 1 1   18   24    1 o   14.092   6.2554   0.3270   2.7613   1.3923   3.8283  -0.8282   3.9866   16.802   7.4164   15.032   6.9901 1.769531 10.19136 
1 1 1   18   24    2 o   25.996   6.8476   6.9475   2.8318   3.4102   3.9866   10.550   4.0232   19.160   7.9866   30.633   8.2050 -11.47323 11.45020 
1 1 1   18   24    3 f   17.709   7.1392   2.7720   3.0531   3.0666   4.7398   2.5632   3.9915   19.122   8.3519   18.120   7.7892 1.001814 11.42046 
1 1 1   18   24    4 o   26.364   7.1992   7.3925   3.0618   8.2528   4.3548   6.5514   4.3058   25.738   8.8818   23.182   8.7175 2.556257 12.44511 
1 1 1   18   24    5 o   16.844   7.0545   2.2043   3.1324  -4.8362   4.6081   8.2520   4.2709   13.428   6.5675   25.725   8.7987 -12.29717 10.97950 
1 1 1   18   24    6 o   16.275   6.8725   1.9224   3.0116   1.5466   4.1643   2.3344   4.3605   17.001   7.6056   17.906   7.9090 -0.9044628 10.97263 
1 1 1   18   24    7 o   14.735   6.7201   0.1146   3.4404  -1.7174   5.4013   1.3652   4.4628   15.893   7.6088   17.019   7.7195 -1.125873 10.83905 
1 1 1   18   24    8 o   19.575   7.1701   4.1244   2.8777   3.9084   3.9432   4.3705   4.2090   19.213   7.9703   19.807   8.2271 -0.5940094 11.45475 
1 1 1   18   24    9 o   13.528   6.1403   0.0125   2.8296  -2.1195   3.8236   2.5937   4.2072   13.451   6.4293   17.708   7.7973 -4.257159 10.10611 
1 1 1   18   24   10 o   17.699   7.1790   3.1879   3.1086   6.1242   4.4358   0.3542   4.3577   21.414   8.6148   15.711   7.3065 5.703109 11.29602 
1 1 1   18   24   11 o   12.489   5.8893  -1.1368   3.0006   0.7478   4.2037  -3.0945   4.2844   15.550   7.2128   13.228   6.4393 2.322379 9.668953 
1 1 1   18   24   12 o   13.212   6.1467  -0.0913   3.0883  -3.9925   4.4153   3.6453   4.3212   12.632   6.2276   17.472   7.7865 -4.840344 9.970553 
1 1 1   18   24   13 o   14.352   6.5698   1.3075   3.3277  -0.3818   4.7607   2.9216   4.6534   14.292   6.9174   16.255   7.5564 -1.963199 10.24449 
1 1 1   18   24   14 o   15.502   6.8691   2.8609   3.3146   1.7056   4.7274   3.9780   4.6488   14.970   7.1535   16.449   7.6142 -1.479558 10.44744 
1 1 1   18   25    0 o   10.465   7.3910  -3.5182   4.8996  -3.5182   4.8996  -3.5182   4.8996   10.465   7.3910   10.465   7.3910 0.000000 0.000000 
1 1 1   18   25    1 o   14.892   6.6814   0.6237   3.2389   4.1442   4.6360  -2.7330   4.5269   19.622   8.4140   14.214   6.8464 5.408428 10.84756 
1 1 1   18   25    2 o   14.371   6.4616   0.4041   3.0481  -1.8617   4.3037   2.6844   4.3175   14.406   6.8678   18.003   7.9139 -3.597052 10.47842 
1 1 1   18   25    3 o   10.622   5.2319  -4.6423   3.0905  -5.8621   4.3914  -3.4453   4.3500   12.455   6.1537   13.540   6.5677 -1.085183 9.000159 
1 1 1   18   25    4 o   24.169   7.1327   6.4417   2.8909   5.9681   4.1328   6.8955   4.0453   21.792   8.4543   23.247   8.5035 -1.454878 11.99100 
1 1 1   18   25    5 o   13.147   6.0297  -0.3364   2.8214  -0.4452   4.0096  -0.2296   3.9709   14.873   6.9473   14.988   6.9718 -0.1149817 9.842339 
1 1 1   18   25    6 o   17.263   6.8600   2.9268   2.7778   3.4970   3.9080   2.3446   3.9492   18.414   7.8047   17.171   7.5579 1.242529 10.86440 
1 1 1   18   25    7 o   14.075   6.4354   0.1525   3.1804   1.0976   4.6118  -0.7046   4.3919   16.433   7.5988   14.959   7.0752 1.474452 10.38263 
1 1 1   18   25    8 o   11.470   5.4529  -1.6480   2.6748   4.0236   3.8582  -6.8967   3.7115   18.602   7.8125   10.638   5.3208 7.963507 9.452308 
1 1 1   18   25    9 o   15.629   6.5692   2.2484   2.7313   3.1051   3.8925   1.4173   3.8336   17.158   7.5293   15.511   7.0818 1.646187 10.33642 
1 1 1   18   25   10 o   13.589   6.0921   0.9439   2.6873   1.7208   3.8001   0.1667   3.8008   15.323   7.0165   14.091   6.6394 1.232009 9.659828 
1 1 1   18   25   11 o   14.613   6.3262   2.0313   2.6697   2.5850   3.7835   1.4822   3.7677   15.649   7.1020   14.698   6.8213 0.9511175 9.847292 
1 1 1   18   25   12 o   14.941   6.3998   2.5041   2.6767   6.4702   3.8212  -1.3173   3.7508   19.399   7.9253   12.487   6.0666 6.911759 9.980675 
1 1 1   18   26    0 o   7.1947   5.2772  -8.6656   3.9129  -8.6656   3.9129  -8.6656   3.9129   7.1947   5.2772   7.1947   5.2772 0.000000 0.000000 
1 1 1   18   26    1 o   9.6256   4.7805  -4.9764   2.7813  -6.0314   3.9815  -3.9710   3.8869   11.488   5.7079   12.275   6.0095 -0.7871075 8.288200 
1 1 1   18   26    2 o   11.697   5.5625  -1.6793   2.7868  -5.6827   3.9461   2.3040   3.9362   11.557   5.7318   16.802   7.4631 -5.245274 9.410121 
1 1 1   18   26    3 o   13.935   6.2412   0.6741   2.8133   2.7945   4.0530  -1.2975   3.9081   17.269   7.6264   13.788   6.5653 3.480627 10.06306 
1 1 1   18   26    4 o   21.208   7.1282   5.3268   2.8022   5.8765   4.0215   4.8081   3.9067   20.719   8.2474   19.382   7.9764 1.337543 11.47356 
1 1 1   18   26    5 o   12.886   5.9298  -0.0743   2.7605   3.9283   3.9267  -3.9851   3.8815   18.074   7.7468   12.037   5.9158 6.037090 9.747279 
1 1 1   18   26    6 o   12.076   5.6841  -0.8292   2.7726   0.3725   3.9116  -2.0426   3.9305   14.520   6.8081   12.973   6.2808 1.546490 9.262730 
1 1 1   18   26    7 o   9.2310   4.6517  -6.9261   3.1152 -10.8336   4.4200  -3.0690   4.3914   10.213   5.1895   12.803   6.2922 -2.590321 8.156142 
1 1 1   18   26    8 o   23.190   7.2677   7.1250   2.9414   3.8414   4.1605   10.406   4.1591   16.822   7.5577   25.189   8.6805 -8.367517 11.50955 
1 1 1   18   26    9 o   11.500   5.5164  -1.1631   2.8693  -2.4366   4.0987   0.0609   4.0182   12.342   6.0684   13.606   6.5268 -1.263546 8.912090 
1 1 1   18   26   10 o   12.754   5.9287   0.5717   2.8644  -1.6714   3.9998   2.9333   4.1040   12.428   6.0868   15.365   7.1269 -2.937022 9.372368 
1 1 1   18   27    0 o   11.259   7.6211   0.6043   3.9815   0.6043   3.9815   0.6043   3.9815   11.259   7.6211   11.259   7.6211 0.000000 0.000000 
1 1 1   18   27    1 o   13.782   6.1980   1.1992   2.8060  -0.4312   3.9347   2.8864   4.0027   13.555   6.4906   16.077   7.2997 -2.522945 9.767966 
1 1 1   18   27    2 o   12.505   5.8298  -0.0248   2.8006  -2.0974   3.9339   2.1050   3.9879   12.548   6.1222   15.341   7.0838 -2.792109 9.362758 
1 1 1   18   27    3 o   11.813   5.5995  -0.7317   2.7800  -1.7096   3.9015   0.2768   3.9621   12.650   6.1551   13.896   6.6151 -1.246210 9.035695 
1 1 1   18   27    4 o   24.198   7.0353   7.5484   2.8307   9.9389   3.9931   5.1336   4.0133   24.542   8.5033   17.891   7.7509 6.650885 11.50578 
1 1 1   18   27    5 o   13.807   6.2056   1.5207   2.8082   0.0712   3.8015   3.2618   4.1663   13.391   6.4036   15.874   7.2978 -2.482985 9.708980 
1 1 1   18   27    6 o   13.190   5.9941   1.1480   2.7065   0.9527   3.8669   1.3354   3.7893   13.868   6.5824   14.093   6.6371 -0.2253990 9.347679 
1 1 1   18   27    7 o   12.654   5.8647   0.6578   2.7704   6.8816   3.9343  -5.4630   3.9016   19.212   7.9648   10.648   5.3442 8.563689 9.591610 
1 1 1   18   28    0 o   10.578   7.3921  -0.2870   4.5209  -0.2870   4.5209  -0.2870   4.5209   10.578   7.3921   10.578   7.3921 0.000000 0.000000 
1 1 1   19    0    1 o   56.222   3.6943   25.180   3.2267   25.180   3.2267   25.180   3.2267   56.222   3.6943   56.222   3.6943 0.000000 0.000000 
1 1 1   19    0    2 o  108.330   2.4676   92.324   4.1900   92.324   4.1900   92.324   4.1900  108.330   2.4676  108.330   2.4676 0.000000 0.000000 
1 1 1   19    0    3 o   81.635   2.8146   52.553   3.5961   52.553   3.5961   52.553   3.5961   81.635   2.8146   81.635   2.8146 0.000000 0.000000 
1 1 1   19    0    4 o   93.834   2.6893   69.352   3.9528   69.352   3.9528   69.352   3.9528   93.834   2.6893   93.834   2.6893 0.000000 0.000000 
1 1 1   19    0    5 o   48.323   4.1061   18.775   3.0601   18.775   3.0601   18.775   3.0601   48.323   4.1061   48.323   4.1061 0.000000 0.000000 
1 1 1   19    0    6 o   50.329   4.0131   20.317   3.1219   20.317   3.1219   20.317   3.1219   50.329   4.0131   50.329   4.0131 0.000000 0.000000 
1 1 1   19    0    7 o  108.710   2.4989   93.004   4.2581   93.004   4.2581   93.004   4.2581  108.710   2.4989  108.710   2.4989 0.000000 0.000000 
1 1 1   19    0    8 o   76.253   2.9578   45.923   3.5273   45.923   3.5273   45.923   3.5273   76.253   2.9578   76.253   2.9578 0.000000 0.000000 
1 1 1   19    0    9 o   27.722   9.0361   7.7766   3.4800   7.7766   3.4800   7.7766   3.4800   27.722   9.0361   27.722   9.0361 0.000000 0.000000 
1 1 1   19    0   10 o   21.232   10.109   5.3218   3.8451   5.3218   3.8451   5.3218   3.8451   21.232   10.109   21.232   10.109 0.000000 0.000000 
1 1 1   19    0   11 f  100.694   3.0573   80.013   4.8211   80.013   4.8211   80.013   4.8211  100.694   3.0573  100.694   3.0573 0.000000 0.000000 
1 1 1   19    0   12 o  134.440   2.7620  142.392   5.8217  142.392   5.8217  142.392   5.8217  134.440   2.7620  134.440   2.7620 0.000000 0.000000 
1 1 1   19    0   13 o   50.476   4.7871   20.709   3.7088   20.709   3.7088   20.709   3.7088   50.476   4.7871   50.476   4.7871 0.000000 0.000000 
1 1 1   19    0   14 o  103.997   3.0408   85.458   4.9530   85.458   4.9530   85.458   4.9530  103.997   3.0408  103.997   3.0408 0.000000 0.000000 
1 1 1   19    0   15 o  127.284   2.6610  127.786   5.3101  127.786   5.3101  127.786   5.3101  127.284   2.6610  127.284   2.6610 0.000000 0.000000 
1 1 1   19    0   16 f   66.672   3.5094   35.434   3.6485   35.434   3.6485   35.434   3.6485   66.672   3.5094   66.672   3.5094 0.000000 0.000000 
1 1 1   19    0   17 o   7.9977   5.6735  -3.7968   2.9961  -3.7968   2.9961  -3.7968   2.9961   7.9977   5.6735   7.9977   5.6735 0.000000 0.000000 
1 1 1   19    0   18 o   31.123   7.5507   9.0770   3.1959   9.0770   3.1959   9.0770   3.1959   31.123   7.5507   31.123   7.5507 0.000000 0.000000 
1 1 1   19    0   19 o   27.182   8.3877   7.5202   3.1305   7.5202   3.1305   7.5202   3.1305   27.182   8.3877   27.182   8.3877 0.000000 0.000000 
1 1 1   19    0   20 o   24.980   9.6778   7.1372   3.6052   7.1372   3.6052   7.1372   3.6052   24.980   9.6778   24.980   9.6778 0.000000 0.000000 
1 1 1   19    0   21 o   46.444   5.4652   18.262   3.8388   18.262   3.8388   18.262   3.8388   46.444   5.4652   46.444   5.4652 0.000000 0.000000 
1 1 1   19    0   22 o   49.605   5.2112   20.802   3.9446   20.802   3.9446   20.802   3.9446   49.605   5.2112   49.605   5.2112 0.000000 0.000000 
1 1 1   19    0   23 o   11.834   7.7064   0.4616   3.4629   0.4616   3.4629   0.4616   3.4629   11.834   7.7064   11.834   7.7064 0.000000 0.000000 
1 1 1   19    0   24 o   9.1810   6.3049  -1.4170   2.9431  -1.4170   2.9431  -1.4170   2.9431   9.1810   6.3049   9.1810   6.3049 0.000000 0.000000 
1 1 1   19    0   25 o   24.278   8.7218   6.9156   3.0396   6.9156   3.0396   6.9156   3.0396   24.278   8.7218   24.278   8.7218 0.000000 0.000000 
1 1 1   19    0   26 o   9.1080   6.2563  -1.1335   2.9021  -1.1335   2.9021  -1.1335   2.9021   9.1080   6.2563   9.1080   6.2563 0.000000 0.000000 
1 1 1   19    0   27 o   14.033   8.1236   3.0790   2.9084   3.0790   2.9084   3.0790   2.9084   14.033   8.1236   14.033   8.1236 0.000000 0.000000 
1 1 1   19    1    0 o   73.058   2.9462   42.147   3.3653   42.147   3.3653   42.147   3.3653   73.058   2.9462   73.058   2.9462 0.000000 0.000000 
1 1 1   19    1    1 o  179.643   1.5543  253.434   4.3817  256.257   6.2267  250.665   6.1670  180.565   2.1974  178.583   2.2005 1.981308 3.109826 
1 1 1   19    1    2 o   70.883   2.1939   39.529   2.4375   38.224   3.4407   40.844   3.4535   69.602   3.1583   71.963   3.0651 -2.361710 4.401091 
1 1 1   19    1    3 o  201.546   1.5663  319.017   4.9541  320.393   7.0257  317.655   6.9869  201.889   2.2175  201.025   2.2148 0.8640289 3.134097 
1 1 1   19    1    4 o  301.874   1.6967  715.820   8.0379  715.739   11.355  715.901   11.380  301.693   2.3983  301.725   2.4034 -0.3265381E-01 3.395310 
1 1 1   19    1    5 o  183.217   1.5767  263.655   4.5335  264.420   6.3981  262.883   6.4246  183.393   2.2231  182.857   2.2389 0.5361176 3.155128 
1 1 1   19    1    6 o  127.130   1.6706  126.964   3.3329  126.098   4.7044  127.836   4.7225  126.621   2.3675  127.491   2.3604 -0.8701706 3.343128 
1 1 1   19    1    7 o  132.793   1.6497  138.533   3.4378  132.595   4.7974  144.801   4.9289  129.834   2.3545  135.684   2.3148 -5.849976 3.301852 
1 1 1   19    1    8 o   41.370   3.4685   13.599   2.2311   17.446   3.0566   9.2120   3.2641   46.773   4.2093   33.396   6.4619 13.37700 7.711934 
1 1 1   19    1    9 o  155.992   1.8018  191.253   4.4109  196.349   6.5234  186.961   5.9869  157.908   2.6325  154.118   2.4754 3.789825 3.613503 
1 1 1   19    1   10 o   98.079   2.3632   75.717   3.6373   70.807   5.6593   79.174   4.7478   94.531   3.8228  100.148   3.0244 -5.616943 4.874505 
1 1 1   19    1   11 o   79.987   2.4306   50.437   3.0475   48.412   4.2412   52.599   4.3819   78.174   3.4657   81.498   3.4339 -3.323204 4.878805 
1 1 1   19    1   12 o  127.884   2.0465  128.718   4.1071  125.265   5.5131  133.023   6.1565  125.992   2.7883  129.770   3.0231 -3.778351 4.112668 
1 1 1   19    1   13 o   93.602   2.2240   69.032   3.2668   68.957   4.5884   69.109   4.6522   93.309   3.1380   93.400   3.1786 -0.9174347E-01 4.466580 
1 1 1   19    1   14 o  103.617   2.1668   84.629   3.5234   84.151   4.9644   85.114   5.0014  103.043   3.0735  103.629   3.0788 -0.5868454 4.350344 
1 1 1   19    1   15 o  101.017   2.0536   80.444   3.2556   82.599   4.6534   78.379   4.5562  102.081   2.9078   99.432   2.9231 2.649132 4.123078 
1 1 1   19    1   16 o   33.431   4.7317   9.1791   2.4131   6.1867   3.3490   12.410   3.4801   26.719   7.6169   38.530   5.9467 -11.81058 9.663371 
1 1 1   19    1   17 o   42.947   3.5678   14.829   2.3829   12.407   3.3423   17.333   3.3982   38.530   5.6993   46.039   4.7725 -7.508968 7.433660 
1 1 1   19    1   18 o   36.409   4.0487   10.796   2.2742   11.382   3.2132   10.207   3.2193   36.747   5.7612   34.596   6.1553 2.151115 8.430841 
1 1 1   19    1   19 o   26.767   5.8238   6.1728   2.3766   4.7295   3.3064   7.7154   3.4183   23.428   7.7399   29.365   7.4170 -5.936947 10.72002 
1 1 1   19    1   20 o   55.970   3.1980   25.205   2.7973   27.708   3.9475   22.681   3.9644   58.086   4.3624   52.223   4.8944 5.863380 6.556334 
1 1 1   19    1   21 o   38.091   4.4834   12.153   2.6287   11.988   3.7132   12.319   3.7220   36.470   6.7361   37.040   6.6475 -0.5703545 9.463812 
1 1 1   19    1   22 o   19.819   6.8172   3.5225   2.5648   5.3540   3.6335   1.7038   3.6209   23.467   8.1123   17.959   7.5571 5.508135 11.08689 
1 1 1   19    1   23 o   14.464   6.0351   0.9899   2.2797  -0.6015   3.1770   2.6791   3.2732   14.312   6.5002   18.485   7.4127 -4.172851 9.859051 
1 1 1   19    1   24 o   21.753   6.2398   4.5707   2.2407   6.3354   3.2556   2.9824   3.0887   24.568   7.6380   18.499   7.2703 6.069126 10.54500 
1 1 1   19    1   25 o   17.546   6.2524   2.8683   2.1695   3.0424   3.0017   2.6779   3.1391   18.268   7.1709   17.798   7.2159 0.4700222 10.17307 
1 1 1   19    1   26 o   11.970   5.3384   0.0633   2.0350   1.2910   2.8730  -1.1726   2.8827   15.015   6.5312   12.459   5.8427 2.556401 8.763159 
1 1 1   19    1   27 o   15.433   6.0018   2.3680   2.0867   4.2317   2.9465   0.4928   2.9555   18.626   7.1619   13.653   6.2276 4.973096 9.490793 
1 1 1   19    2    0 o  157.105   2.3777  193.994   5.8591  193.994   5.8591  193.994   5.8591  157.105   2.3777  157.105   2.3777 0.000000 0.000000 
1 1 1   19    2    1 o   92.361   1.8789   67.020   2.7233   66.058   3.8639   67.968   3.8390   91.597   2.6910   92.919   2.6354 -1.322517 3.766486 
1 1 1   19    2    2 o  303.583   1.8187  724.022   8.6648  722.831   11.459  725.611   13.240  303.197   2.4084  303.674   2.7783 -0.4771729 3.676891 
1 1 1   19    2    3 o   62.162   2.3609   30.427   2.2989   33.721   3.2786   27.240   3.2244   65.353   3.2066   58.682   3.5175 6.671421 4.759747 
1 1 1   19    2    4 o   97.913   1.8342   75.321   2.8183   75.100   3.9605   75.548   4.0113   97.672   2.5861   97.960   2.6117 -0.2878799 3.675466 
1 1 1   19    2    5 o   88.607   2.1499   61.719   2.9895   61.926   4.0444   61.470   4.4386   88.639   2.9115   88.269   3.2096 0.3703537 4.333419 
1 1 1   19    2    6 o   77.026   2.0882   46.674   2.5218   43.784   3.5167   49.733   3.6182   74.496   3.0144   79.417   2.9081 -4.921646 4.188514 
1 1 1   19    2    7 o  190.097   1.6395  283.893   4.8910  288.931   6.7213  278.223   7.1308  191.677   2.2345  188.056   2.4163 3.621246 3.291074 
1 1 1   19    2    8 o  269.397   1.6585  570.215   7.0116  559.367   9.8050  581.568   10.031  266.647   2.3432  271.884   2.3509 -5.237640 3.319241 
1 1 1   19    2    9 o   53.235   2.9628   22.407   2.4654   21.443   3.4373   23.427   3.5380   51.862   4.2609   54.236   4.1893 -2.374271 5.975417 
1 1 1   19    2   10 o   30.249   5.9843   7.5703   2.7401   5.0271   3.8174   10.273   3.9354   25.245   8.3155   35.021   7.3931 -9.776009 11.12677 
1 1 1   19    2   11 o  144.706   1.8369  164.665   4.1713  167.892   6.1141  161.855   5.7054  145.939   2.6696  143.323   2.5367 2.615417 3.682621 
1 1 1   19    2   12 o  153.836   1.8916  186.188   4.5665  187.082   6.4785  185.305   6.4377  153.997   2.6807  153.266   2.6766 0.7316589 3.788182 
1 1 1   19    2   13 o   63.621   2.8148   32.037   2.8033   29.227   3.9073   35.018   4.0243   60.453   4.1437   66.268   3.8868 -5.814789 5.681355 
1 1 1   19    2   14 o   24.172   6.3993   4.9393   2.4652   0.5463   3.4447   9.5517   3.5296   17.442   7.3570   33.547   6.9339 -16.10422 10.10961 
1 1 1   19    2   15 o  156.805   1.8542  193.678   4.5628  191.428   6.6991  195.625   6.2318  155.535   2.7446  157.333   2.5240 -1.798035 3.728730 
1 1 1   19    2   16 o   82.969   2.2993   54.422   2.9909   51.686   4.2009   57.234   4.2592   80.524   3.3316   84.791   3.2067 -4.266533 4.624074 
1 1 1   19    2   17 f   65.853   2.6980   34.439   2.7823   34.319   3.9481   34.558   3.9215   65.329   3.8683   65.573   3.8275 -0.2440338 5.441831 
1 1 1   19    2   18 o   72.276   2.5373   41.468   2.8734   39.509   4.0318   43.489   4.0961   70.101   3.6778   73.613   3.5563 -3.511795 5.116009 
1 1 1   19    2   19 o   57.651   2.9463   26.568   2.6568   24.154   3.6912   29.164   3.8270   54.366   4.3630   59.906   4.0955 -5.539421 5.984021 
1 1 1   19    2   20 o   62.375   3.0239   31.216   2.9511   33.016   4.1827   29.432   4.1644   63.498   4.2215   59.787   4.4709 3.711449 6.148957 
1 1 1   19    2   21 o   33.559   5.0971   9.6489   2.6000   7.8085   3.6893   11.465   3.6649   28.549   7.9446   35.549   6.8173 -7.000299 10.46867 
1 1 1   19    2   22 o   70.212   2.5376   39.614   2.7914   32.946   3.8963   46.647   4.0011   62.959   3.9637   75.513   3.3850 -12.55437 5.212410 
1 1 1   19    2   23 o   17.651   6.4197   2.7066   2.3008   0.7934   3.2241   4.6919   3.2844   15.890   6.9151   21.774   7.6996 -5.884058 10.34905 
1 1 1   19    2   24 o   15.473   6.1328   1.7421   2.2147   7.2228   3.2383  -3.0737   3.0355   26.370   7.4810   11.774   5.6544 14.59575 9.377501 
1 1 1   19    2   25 o   14.020   5.8011   1.1358   2.0813  -1.7838   2.9390   4.0728   2.9478   12.407   5.8435   20.012   7.2682 -7.605431 9.325914 
1 1 1   19    2   26 o   16.195   6.0372   2.5072   2.0559   4.3071   2.8958   0.6780   2.9192   19.624   7.1920   14.304   6.3857 5.319935 9.617759 
1 1 1   19    2   27 o   15.437   5.9612   2.3859   2.0477   0.2378   2.8911   4.5484   2.9008   13.291   6.0988   19.178   7.1669 -5.886971 9.410616 
1 1 1   19    3    0 o  202.883   2.2078  323.376   7.0274  323.376   7.0274  323.376   7.0274  202.883   2.2078  202.883   2.2078 0.000000 0.000000 
1 1 1   19    3    1 o   54.775   2.5891   23.652   2.2193   25.310   3.1546   22.028   3.1227   56.551   3.5730   52.711   3.8006 3.840652 5.216374 
1 1 1   19    3    2 o   86.642   1.9443   58.985   2.6436   54.589   3.7067   63.535   3.7712   83.236   2.8419   89.825   2.6783 -6.589249 3.905107 
1 1 1   19    3    3 o   91.184   1.8949   65.330   2.7115   66.749   3.8518   63.935   3.8179   92.068   2.6687   90.101   2.7032 1.967010 3.798570 
1 1 1   19    3    4 o  139.697   1.6395  153.289   3.5943  154.309   5.0887  152.273   5.0775  140.087   2.3148  139.158   2.3251 0.9288635 3.280856 
1 1 1   19    3    5 o   93.397   2.1227   68.573   3.1112   73.686   4.2797   62.842   4.5308   96.706   2.8230   89.240   3.2406 7.465637 4.297809 
1 1 1   19    3    6 o  229.624   1.6087  414.194   5.7969  411.148   8.1722  417.280   8.2242  228.649   2.2775  230.348   2.2751 -1.699249 3.219190 
1 1 1   19    3    7 o  168.753   1.6102  223.719   4.2641  224.978   6.0539  222.479   6.0072  169.126   2.2810  168.185   2.2760 0.9413757 3.222283 
1 1 1   19    3    8 o   30.077   4.7711   7.3482   2.1769   9.4097   3.0623   5.2423   3.0951   33.856   5.9825   25.249   7.3611 8.606760 9.485572 
1 1 1   19    3    9 o  121.596   1.7374  116.203   3.3153  109.079   4.5681  124.131   4.8190  117.713   2.4729  125.576   2.4454 -7.863533 3.477795 
1 1 1   19    3   10 o   70.781   2.7521   39.546   3.0511   41.563   4.1661   37.212   4.4810   72.399   3.6789   68.385   4.1957 4.013588 5.580153 
1 1 1   19    3   11 o   55.669   2.8966   24.519   2.5218   25.480   3.5386   23.528   3.5947   56.541   4.0142   54.268   4.2550 2.273254 5.849669 
1 1 1   19    3   12 o   65.579   2.5638   33.966   2.6334   34.380   3.7295   33.554   3.7189   65.765   3.6277   64.959   3.6629 0.8058548 5.155341 
1 1 1   19    3   13 o  104.586   1.9923   86.129   3.2699   83.456   4.5641   88.948   4.6870  102.729   2.8338  106.062   2.8185 -3.333267 3.996804 
1 1 1   19    3   14 o  122.619   1.9816  118.448   3.8131  122.129   5.5771  115.216   5.2251  124.242   2.8604  120.710   2.7583 3.532196 3.973734 
1 1 1   19    3   15 o   68.575   2.6856   37.261   2.8845   39.566   4.2422   35.279   3.9338   70.308   3.8596   66.402   3.7908 3.906273 5.409878 
1 1 1   19    3   16 o   90.676   2.1926   64.922   3.1201   66.082   4.4257   63.775   4.3993   91.149   3.0985   89.527   3.1362 1.622131 4.408681 
1 1 1   19    3   17 o   49.118   3.7417   19.423   2.8624   20.656   3.9017   17.985   4.2121   50.166   5.0236   46.385   5.9214 3.781330 7.765255 
1 1 1   19    3   18 o   38.458   4.5350   12.148   2.6844   12.247   3.7840   12.047   3.8088   37.712   6.6361   37.342   6.7478 0.3692322 9.464182 
1 1 1   19    3   19 o   50.498   3.5918   20.600   2.8278   23.325   4.0615   18.036   3.9395   53.101   4.9302   46.336   5.5266 6.765446 7.406132 
1 1 1   19    3   20 o   24.479   7.0316   5.3900   2.8436   8.8150   4.1694   2.4114   3.8882   30.572   8.4223   19.953   8.0519 10.61926 11.65199 
1 1 1   19    3   21 o   38.890   4.2214   12.609   2.5351   12.704   3.4471   12.496   3.7413   37.976   5.9817   37.196   6.6537 0.7803497 8.947202 
1 1 1   19    3   22 o   13.013   5.7428  -0.1228   2.2942   2.3910   3.3005  -2.4728   3.1913   18.389   7.4195   12.861   6.0671 5.528719 9.584305 
1 1 1   19    3   23 o   15.462   6.2046   1.5891   2.2948   4.9811   3.2502  -1.7824   3.2404   22.256   7.6735   13.333   6.2339 8.922195 9.886598 
1 1 1   19    3   24 o   38.475   3.8200   12.545   2.2760   13.331   3.2263   11.766   3.2114   38.206   5.5426   35.468   5.9822 2.738247 8.155187 
1 1 1   19    3   25 o   25.759   5.4800   6.2261   2.1471   7.5398   3.0488   4.9336   3.0242   26.912   7.1128   21.554   7.4030 5.357346 10.26626 
1 1 1   19    3   26 o   15.770   6.0064   2.3335   2.0595   0.8863   2.9139   3.7780   2.9112   14.465   6.4232   18.572   7.1245 -4.107399 9.592509 
1 1 1   19    3   27 o   10.974   5.0600  -0.4451   2.0239   1.1376   2.8565  -2.0405   2.8679   14.164   6.3203   11.329   5.4551 2.834613 8.348872 
1 1 1   19    4    0 o   50.880   4.0003   20.747   3.1474   20.747   3.1474   20.747   3.1474   50.880   4.0003   50.880   4.0003 0.000000 0.000000 
1 1 1   19    4    1 o  236.475   1.6128  439.216   5.9851  436.869   8.4246  441.608   8.5045  235.726   2.2774  236.999   2.2866 -1.273056 3.227243 
1 1 1   19    4    2 o   75.491   2.1815   44.837   2.5817   45.437   3.6635   44.245   3.6386   75.895   3.0824   74.888   3.1028 1.006577 4.373617 
1 1 1   19    4    3 o  180.061   1.5935  254.656   4.5027  252.387   6.3381  256.969   6.3978  179.166   2.2542  180.785   2.2551 -1.618713 3.188551 
1 1 1   19    4    4 o   95.036   1.9084   70.975   2.8461   69.680   4.0176   72.280   4.0326   94.052   2.7249   95.798   2.6850 -1.745445 3.825475 
1 1 1   19    4    5 o  207.276   1.8625  337.616   6.0584  326.998   8.4134  349.051   8.7311  203.839   2.6301  210.598   2.6418 -6.758621 3.727853 
1 1 1   19    4    6 o  207.783   1.6072  339.158   5.2407  343.954   7.4589  334.483   7.3649  209.124   2.2728  206.224   2.2757 2.900070 3.216294 
1 1 1   19    4    7 o  237.274   1.6232  442.306   6.0442  437.970   8.5194  446.701   8.5765  235.958   2.3007  238.300   2.2934 -2.342194 3.248546 
1 1 1   19    4    8 o  132.634   1.6802  138.234   3.4972  136.763   4.9190  139.736   4.9730  131.831   2.3777  133.256   2.3781 -1.425323 3.362826 
1 1 1   19    4    9 o  130.529   1.6969  133.901   3.4760  133.831   4.9197  133.971   4.9119  130.390   2.4043  130.459   2.3992 -0.6875610E-01 3.396605 
1 1 1   19    4   10 o   15.911   6.2386   1.2397   2.2697  -1.9079   2.9587   5.7410   3.5381   13.560   6.2025   26.358   7.9184 -12.79780 10.05846 
1 1 1   19    4   11 o   37.370   4.1126   11.217   2.3720   12.292   3.3551   10.143   3.3540   38.759   5.6850   34.964   6.3465 3.795010 8.520408 
1 1 1   19    4   12 o  200.359   1.7338  315.747   5.4515  317.055   7.7189  314.447   7.7002  200.533   2.4528  199.705   2.4570 0.8281860 3.471773 
1 1 1   19    4   13 o  155.076   1.7687  189.243   4.3042  192.505   6.1169  186.044   6.0578  156.184   2.4957  153.535   2.5142 2.649689 3.542533 
1 1 1   19    4   14 o  122.379   1.8958  117.960   3.6408  118.989   5.1399  116.923   5.1578  122.684   2.6697  121.603   2.7028 1.081192 3.799015 
1 1 1   19    4   15 o   54.770   3.0539   23.871   2.6145   20.083   3.6447   27.887   3.7526   49.726   4.7273   58.899   4.0852 -9.173195 6.247943 
1 1 1   19    4   16 f   67.022   2.7058   35.650   2.8401   36.721   4.1684   34.723   3.8800   67.596   3.9467   65.792   3.7738 1.804398 5.460586 
1 1 1   19    4   17 o   9.7916   4.7786  -4.2269   2.4015  -3.1055   3.4695  -5.2584   3.3275   13.633   6.3985   11.788   5.7239 1.844703 8.585093 
1 1 1   19    4   18 o   15.094   6.3089   0.6238   2.4977  -4.1407   3.6627   4.7651   3.4148   13.306   6.3414   23.639   7.8676 -10.33348 10.10508 
1 1 1   19    4   19 o   34.066   5.6707   9.8944   2.9250   6.2974   4.1483   13.451   4.1250   26.371   8.6675   39.118   6.9754 -12.74735 11.12573 
1 1 1   19    4   20 o   22.483   6.9072   4.4967   2.6717  -0.3128   3.6770   9.8758   3.8887   16.315   7.2318   32.711   7.7035 -16.39565 10.56609 
1 1 1   19    4   21 f   27.547   6.1041   6.8344   2.5693   8.1932   3.6560   5.5083   3.6116   29.139   7.8289   24.067   8.0926 5.071901 11.25976 
1 1 1   19    4   22 o   29.355   5.8392   7.8150   2.5953   13.317   3.7128   2.5577   3.6291   38.011   6.4548   18.918   7.7256 19.09267 10.06726 
1 1 1   19    4   23 o   22.847   6.6028   5.0751   2.5002   3.9461   3.4853   6.2720   3.5886   20.421   7.8050   24.386   8.0637 -3.965206 11.22235 
1 1 1   19    4   24 o   16.320   6.3448   2.1423   2.3315   2.0416   3.3130   2.2410   3.2818   17.263   7.2442   17.496   7.2657 -0.2329063 10.26007 
1 1 1   19    4   25 o   16.339   6.1510   2.3571   2.1450   0.5535   3.0386   4.1488   3.0285   14.788   6.5635   19.997   7.3505 -5.208534 9.854455 
1 1 1   19    4   26 o   9.3804   4.5406  -2.3827   2.0521  -2.3040   2.8787  -2.4639   2.9262   11.423   5.4914   11.409   5.4975 0.1479053E-01 7.770307 
1 1 1   19    5    0 o  206.306   2.2688  334.429   7.3435  334.429   7.3435  334.429   7.3435  206.306   2.2688  206.306   2.2688 0.000000 0.000000 
1 1 1   19    5    1 o  115.149   1.7548  104.169   3.1710  101.147   4.4240  107.362   4.5474  113.396   2.4860  116.829   2.4803 -3.432976 3.511750 
1 1 1   19    5    2 o  169.823   1.6037  226.530   4.2740  233.316   6.1102  220.029   5.9806  172.259   2.2603  167.279   2.2782 4.979370 3.209256 
1 1 1   19    5    3 o  179.354   1.6049  252.676   4.5170  256.627   6.4372  248.844   6.3400  180.653   2.2706  177.892   2.2710 2.760605 3.211433 
1 1 1   19    5    4 o  197.137   1.5960  305.275   4.9376  306.690   7.0015  303.876   6.9644  197.484   2.2592  196.577   2.2576 0.9076538 3.193842 
1 1 1   19    5    5 o   89.568   2.2209   63.089   3.1217   59.141   4.5500   66.600   4.2909   86.533   3.3569   91.898   2.9792 -5.365028 4.488312 
1 1 1   19    5    6 o  292.216   1.7613  670.995   8.0770  661.993   10.984  681.591   11.918  290.063   2.4131  294.268   2.5807 -4.204407 3.533181 
1 1 1   19    5    7 o  100.856   1.8629   79.952   2.9485   78.944   4.1444   80.985   4.1957  100.096   2.6407  101.383   2.6394 -1.286598 3.733604 
1 1 1   19    5    8 o   91.072   1.9660   65.215   2.8098   63.106   3.8901   67.515   4.0629   89.453   2.7745   92.524   2.8014 -3.070786 3.942852 
1 1 1   19    5    9 o  114.059   1.7771  102.270   3.1810  100.186   4.4813  104.385   4.5161  112.784   2.5319  115.129   2.4996 -2.345016 3.557890 
1 1 1   19    5   10 o   47.048   3.2011   17.564   2.3494   15.720   3.1975   19.728   3.4634   44.206   4.6802   49.618   4.4967 -5.412167 6.490340 
1 1 1   19    5   11 o   71.965   2.3067   40.840   2.6017   39.229   3.6569   42.491   3.7023   70.342   3.3222   73.235   3.2294 -2.893097 4.633142 
1 1 1   19    5   12 o   71.339   2.3187   40.156   2.5924   38.998   3.6944   41.279   3.6388   70.085   3.3689   72.145   3.2221 -2.060585 4.661657 
1 1 1   19    5   13 o  127.767   1.8944  128.535   3.7985  132.725   5.3505  124.278   5.3934  129.624   2.6303  125.396   2.7408 4.228264 3.798707 
1 1 1   19    5   14 o  119.649   1.9546  112.801   3.6700  112.309   5.1504  113.309   5.2310  119.142   2.7547  119.660   2.7857 -0.5179596 3.917670 
1 1 1   19    5   15 o   42.131   4.1338   14.350   2.6980   14.257   3.7471   14.451   3.8878   41.364   5.9429   41.569   6.1447 -0.2045059 8.548416 
1 1 1   19    5   16 o   57.588   3.2288   26.480   2.9062   31.158   4.0736   21.630   4.1475   62.122   4.2034   51.300   5.2246 10.82130 6.705568 
1 1 1   19    5   17 o   40.910   4.4527   13.685   2.8126   11.667   3.9264   15.810   4.0309   36.640   7.0849   43.291   6.1024 -6.650677 9.350658 
1 1 1   19    5   18 o   56.081   3.1074   25.172   2.7240   24.152   3.8674   26.177   3.8375   54.309   4.5805   56.669   4.3484 -2.359413 6.315758 
1 1 1   19    5   19 o   56.901   3.4770   26.131   3.0900   28.649   4.2012   23.165   4.5607   59.004   4.5729   52.395   5.6352 6.609684 7.257155 
1 1 1   19    5   20 o   15.941   6.4743   1.2705   2.5322   1.7543   3.3838   0.6548   3.8172   18.185   7.4471   17.555   7.5823 0.6301765 10.62779 
1 1 1   19    5   21 o   24.844   6.1933   5.6298   2.4061   4.7520   3.4309   6.4793   3.3751   22.580   7.8785   25.878   7.7245 -3.297804 11.03356 
1 1 1   19    5   22 f   22.433   6.5564   4.7740   2.4527   9.1870   3.6113   0.9953   3.3417   30.412   7.5911   16.462   7.1021 13.95041 10.39542 
1 1 1   19    5   23 o   14.772   6.2558   0.9798   2.5070   4.2631   3.8981  -1.3363   3.2739   20.947   8.1867   13.710   6.3614 7.236835 10.36771 
1 1 1   19    5   24 o   30.576   5.7050   8.7095   2.6368   3.7110   3.9247   12.822   3.5599   19.868   8.0636   36.476   6.4551 -16.60840 10.32909 
1 1 1   19    5   25 o   12.574   5.6180  -0.0138   2.2645  -1.2243   3.2350   1.1492   3.1710   13.330   6.2313   15.568   6.8146 -2.237333 9.234059 
1 1 1   19    5   26 f   18.715   6.3996   3.8156   2.2593   3.3001   3.2073   4.3233   3.1831   17.515   7.2197   19.052   7.4118 -1.536747 10.34691 
1 1 1   19    6    0 o   13.157   7.9248   1.3805   2.9699   1.3805   2.9699   1.3805   2.9699   13.157   7.9248   13.157   7.9248 0.000000 0.000000 
1 1 1   19    6    1 o  138.221   1.6625  150.084   3.6061  151.449   5.1260  148.747   5.0740  138.766   2.3539  137.523   2.3511 1.242874 3.326943 
1 1 1   19    6    2 o  167.556   1.6183  220.540   4.2553  217.818   5.9835  223.325   6.0528  166.424   2.2911  168.515   2.2888 -2.091263 3.238455 
1 1 1   19    6    3 o  234.425   1.6209  431.707   5.9629  435.817   8.4738  427.676   8.3924  235.401   2.2939  233.192   2.2933 2.208923 3.243616 
1 1 1   19    6    4 o  204.691   1.6021  329.142   5.1462  321.101   7.2069  337.507   7.3509  202.056   2.2729  207.155   2.2612 -5.099747 3.206073 
1 1 1   19    6    5 o  315.879   1.8080  784.134   8.9626  786.132   13.138  782.394   12.258  316.001   2.6494  315.314   2.4771 0.6864014 3.627063 
1 1 1   19    6    6 o  171.736   1.7178  231.759   4.6296  223.282   6.0720  243.529   7.1549  168.468   2.2967  175.878   2.5923 -7.409241 3.463351 
1 1 1   19    6    7 o   88.274   1.9764   61.269   2.7378   67.925   3.9601   55.174   3.7893   92.820   2.7216   83.620   2.8920 9.200150 3.971252 
1 1 1   19    6    8 o   54.942   2.7267   23.844   2.3436   22.134   3.2781   25.633   3.3520   52.726   3.9914   56.802   3.7820 -4.075970 5.498586 
1 1 1   19    6    9 o  102.558   1.8813   82.715   3.0279   82.933   4.3051   82.502   4.2593  102.542   2.6776  102.279   2.6559 0.2626953 3.771412 
1 1 1   19    6   10 o   80.802   2.1193   51.427   2.6851   55.091   3.8346   47.903   3.7609   83.488   2.9313   77.813   3.0860 5.674660 4.256308 
1 1 1   19    6   11 o   45.623   3.3050   16.558   2.3502   14.767   3.2770   18.456   3.3725   42.689   4.9853   47.903   4.5405 -5.213833 6.743127 
1 1 1   19    6   12 o   67.260   2.4247   35.732   2.5551   44.092   3.6837   27.981   3.5471   74.560   3.1553   59.202   3.8387 15.35873 4.969069 
1 1 1   19    6   13 o  104.134   2.0388   85.452   3.3318   87.940   4.7183   82.976   4.7055  105.385   2.8556  102.340   2.9329 3.045029 4.093501 
1 1 1   19    6   14 o   41.889   4.0187   14.146   2.6094   16.419   3.5410   11.446   3.8599   44.801   5.1289   36.656   6.9647 8.145283 8.649374 
1 1 1   19    6   15 o   72.849   2.7092   42.098   3.0918   41.470   4.3306   42.750   4.4155   71.908   3.8517   73.005   3.8679 -1.096916 5.458580 
1 1 1   19    6   16 o   31.465   5.5238   8.3177   2.6281   7.8702   3.8301   8.7159   3.6129   29.775   8.0189   31.520   7.4267 -1.745062 10.92978 
1 1 1   19    6   17 o   20.238   6.9132   3.2998   2.6364   8.7661   3.7563  -2.0074   3.7012   31.366   7.6911   15.062   6.9072 16.30455 10.33745 
1 1 1   19    6   18 o   82.091   2.6760   53.634   3.4427   57.467   4.6941   49.172   5.0644   84.530   3.5465   77.821   4.1621 6.708778 5.468133 
1 1 1   19    6   19 f   44.842   4.4546   16.598   3.0933   13.506   4.3947   19.635   4.3548   38.714   7.5044   47.953   5.9120 -9.238537 9.553394 
1 1 1   19    6   20 o   14.343   6.3046  -0.1306   2.7395   2.8811   4.0254  -2.7289   3.7389   20.461   8.2152   14.181   6.6515 6.279776 10.57033 
1 1 1   19    6   21 o   14.981   6.0559   1.2531   2.2035   1.5550   3.1399   0.9601   3.0931   17.093   7.1034   16.217   6.9111 0.8755989 9.910691 
1 1 1   19    6   22 o   45.162   3.3708   16.838   2.3718   17.517   3.3810   16.180   3.3280   44.897   4.8770   43.011   5.0251 1.886292 7.002617 
1 1 1   19    6   23 o   20.975   6.9109   4.3456   2.6367   3.5011   3.7677   5.1562   3.6911   19.722   7.9376   22.191   8.1218 -2.469263 11.35646 
1 1 1   19    6   24 o   16.392   6.4948   2.1419   2.4829   2.0839   3.4736   2.2025   3.5503   17.362   7.3585   17.585   7.4456 -0.2235832 10.46824 
1 1 1   19    6   25 o   14.805   5.9786   1.6633   2.1452   0.0161   3.0366   3.3044   3.0310   13.994   6.3554   18.223   7.1899 -4.229588 9.596084 
1 1 1   19    6   26 o   25.552   5.6718   6.6495   2.2149   3.5963   3.1981   9.4640   3.0705   17.736   7.2488   29.114   6.8377 -11.37792 9.964900 
1 1 1   19    7    0 o   52.824   3.9809   22.342   3.2558   22.342   3.2558   22.342   3.2558   52.824   3.9809   52.824   3.9809 0.000000 0.000000 
1 1 1   19    7    1 o  109.336   1.7897   93.936   3.0707   95.304   4.3823   92.617   4.3041  110.047   2.5375  108.487   2.5281 1.560783 3.581974 
1 1 1   19    7    2 o  196.058   1.6006  301.968   4.9248  302.210   6.9763  301.728   6.9531  196.020   2.2679  195.865   2.2621 0.1548615 3.203182 
1 1 1   19    7    3 o   59.896   2.5770   28.290   2.4166   26.604   3.4084   29.994   3.4268   57.914   3.7708   61.542   3.5635 -3.627369 5.188200 
1 1 1   19    7    4 o  109.206   1.7800   93.721   3.0505   90.624   4.2828   96.910   4.3462  107.300   2.5434  110.966   2.4958 -3.665855 3.563432 
1 1 1   19    7    5 o  109.897   1.7986   94.920   3.1019   98.667   4.4399   91.348   4.3354  111.955   2.5271  107.718   2.5647 4.237282 3.600518 
1 1 1   19    7    6 o  177.122   1.7840  246.581   4.9589  246.640   6.8097  246.514   7.2354  177.011   2.4514  176.928   2.6059 0.8212280E-01 3.577748 
1 1 1   19    7    7 o   68.394   2.3634   36.864   2.5329   37.699   3.5793   36.026   3.5847   69.023   3.3142   67.455   3.3973 1.567627 4.746070 
1 1 1   19    7    8 o   41.885   3.4587   13.960   2.2532   11.255   3.2107   16.584   3.1628   37.101   5.6964   45.478   4.4901 -8.377338 7.253288 
1 1 1   19    7    9 o   92.966   2.1242   68.025   3.0990   73.839   4.7710   63.782   4.0759   96.628   3.1505   89.855   2.8943 6.773087 4.278152 
1 1 1   19    7   10 o   71.824   2.3040   40.683   2.5936   42.379   3.6956   39.038   3.6408   73.130   3.2281   70.163   3.3160 2.966995 4.627785 
1 1 1   19    7   11 o   96.555   2.1138   73.434   3.2029   78.296   4.5541   68.675   4.5054   99.486   2.9201   93.122   3.0873 6.363098 4.249504 
1 1 1   19    7   12 o   14.868   6.2069   0.4761   2.4133  -0.7977   3.2892   1.9614   3.5517   15.494   6.8551   19.592   7.7662 -4.098935 10.35887 
1 1 1   19    7   13 o   59.896   2.8959   28.474   2.7139   26.438   3.7980   30.598   3.8795   57.332   4.2516   61.775   4.0237 -4.443172 5.853737 
1 1 1   19    7   14 o  149.357   1.9048  175.820   4.4646  179.927   6.1170  171.139   6.5311  150.809   2.5847  146.960   2.8319 3.849167 3.834108 
1 1 1   19    7   15 o   49.564   3.3731   19.664   2.6080   15.857   3.6628   23.578   3.7142   43.773   5.4498   53.925   4.4280 -10.15211 7.021933 
1 1 1   19    7   16 o   55.856   3.1098   24.918   2.7152   29.677   3.9127   20.498   3.7709   60.576   4.1409   49.998   4.8677 10.57783 6.390694 
1 1 1   19    7   17 o   57.272   3.3055   26.303   2.9583   28.638   4.2034   24.011   4.1642   59.208   4.5590   53.984   4.9712 5.224331 6.745180 
1 1 1   19    7   18 o   33.989   5.2913   9.7530   2.7305   12.848   3.8336   6.5658   3.8900   38.431   6.5938   26.844   8.3495 11.58748 10.63924 
1 1 1   19    7   19 o   35.380   4.9500   10.543   2.6732   15.320   4.0414   6.8278   3.5644   41.933   6.3392   27.139   7.8958 14.79389 10.12569 
1 1 1   19    7   20 o   19.445   7.1075   3.1298   2.8253   1.9444   3.9667   4.3503   4.0250   19.020   7.9504   22.341   8.4225 -3.320677 11.58222 
1 1 1   19    7   21 o   34.687   4.5246   10.278   2.4043   12.349   3.5311   8.4883   3.2828   36.726   6.3567   29.752   7.1252 6.974062 9.548634 
1 1 1   19    7   22 o   17.456   6.3489   2.6463   2.2504   2.1815   3.1963   3.1031   3.1689   17.612   7.2279   18.975   7.3914 -1.363077 10.33812 
1 1 1   19    7   23 o   10.931   5.1553  -1.7895   2.3011  -4.3246   3.0502   1.5593   3.5057   10.991   5.3686   16.916   7.2861 -5.925247 9.050364 
1 1 1   19    7   24 o   26.924   6.1939   7.0735   2.5625   3.7184   3.5944   10.541   3.6541   19.501   7.7857   31.671   7.4733 -12.16986 10.79205 
1 1 1   19    7   25 o   29.446   5.1128   8.1634   2.2770   8.3143   3.3431   8.0328   3.1098   26.865   7.5940   26.884   7.2193 -0.1924324E-01 10.47798 
1 1 1   19    7   26 o   11.025   5.1482  -0.7857   2.1990  -1.5604   3.1718  -0.0687   3.0514   12.230   5.8484   13.232   6.1403 -1.002516 8.479772 
1 1 1   19    8    0 o   13.845   8.0410   1.8770   2.8642   1.8770   2.8642   1.8770   2.8642   13.845   8.0410   13.845   8.0410 0.000000 0.000000 
1 1 1   19    8    1 o   53.276   2.7845   22.416   2.3200   21.715   3.2862   23.112   3.2757   52.246   4.0394   53.935   3.8964 -1.688583 5.612350 
1 1 1   19    8    2 o   95.384   1.9067   71.517   2.8541   68.951   4.0091   74.154   4.0640   93.529   2.7344   97.006   2.6722 -3.476799 3.823257 
1 1 1   19    8    3 o   80.463   2.0710   50.945   2.6130   47.423   3.6870   54.499   3.7036   77.502   3.0374   83.122   2.8434 -5.620560 4.160619 
1 1 1   19    8    4 o   47.810   3.0524   18.095   2.2782   20.291   3.2146   15.880   3.2292   50.469   4.0938   44.491   4.6957 5.977955 6.229705 
1 1 1   19    8    5 o   91.476   1.9581   65.797   2.8109   64.542   3.9526   67.081   3.9982   90.460   2.7877   92.228   2.7656 -1.767365 3.926755 
1 1 1   19    8    6 o   26.976   5.8835   6.0411   2.4204   5.5441   3.4495   6.5231   3.3969   25.965   7.8228   27.906   7.5675 -1.940535 10.88407 
1 1 1   19    8    7 o  100.184   1.8875   78.929   2.9676   84.734   4.2550   73.431   4.1409  103.664   2.6176   96.475   2.7379 7.188927 3.787847 
1 1 1   19    8    8 o   70.127   2.5118   38.803   2.7597   33.298   3.8416   44.674   3.9671   64.716   3.7994   75.088   3.3752 -10.37267 5.082067 
1 1 1   19    8    9 o   40.406   4.5833   13.172   2.8550   11.263   3.9941   15.166   4.0824   36.598   7.2109   42.929   6.2426 -6.331459 9.537612 
1 1 1   19    8   10 o  144.281   1.8559  163.813   4.2022  163.763   5.8484  163.867   6.0421  144.063   2.5869  144.082   2.6722 -0.1876831E-01 3.719239 
1 1 1   19    8   11 o   55.400   3.1795   24.390   2.7526   21.150   3.9307   27.508   3.8560   51.102   4.9639   58.573   4.2234 -7.471336 6.517473 
1 1 1   19    8   12 o   15.914   6.3496   1.1603   2.3893   3.0169   3.3410  -0.7833   3.4183   20.863   7.7114   15.795   6.9884 5.067658 10.40690 
1 1 1   19    8   13 o  143.160   1.9168  161.511   4.3064  163.656   5.9174  159.096   6.2790  143.837   2.6215  141.728   2.8231 2.109131 3.852547 
1 1 1   19    8   14 o   98.747   2.2362   77.017   3.4653   74.124   5.0415   79.607   4.7711   96.433   3.3364  100.071   3.0416 -3.638420 4.514758 
1 1 1   19    8   15 o   57.744   3.0754   26.595   2.7768   30.638   3.9315   22.571   3.9225   61.615   4.0891   52.558   4.8090 9.057411 6.312452 
1 1 1   19    8   16 o   33.773   4.8718   9.4628   2.5075   8.7143   3.5537   10.205   3.5387   31.413   7.3414   34.287   6.8168 -2.874056 10.01824 
1 1 1   19    8   17 o   37.491   4.1726   11.504   2.4134   16.536   3.4779   6.8317   3.3517   44.633   5.0543   27.619   7.5283 17.01366 9.067598 
1 1 1   19    8   18 o   14.562   6.0540   0.6962   2.2820   0.2261   3.2295   1.1649   3.2250   16.083   6.9604   17.277   7.1911 -1.193569 10.00796 
1 1 1   19    8   19 f   33.991   4.7588   9.7380   2.4690   8.5169   3.3954   11.108   3.5967   30.471   7.2133   35.210   6.7548 -4.739254 9.882283 
1 1 1   19    8   20 o   29.324   6.3886   7.8577   2.8566   6.9534   4.1069   8.7052   3.9759   26.326   8.6226   29.591   8.2523 -3.264790 11.93523 
1 1 1   19    8   21 o   22.519   6.4719   4.7977   2.4083   4.4919   3.4239   5.0971   3.3881   21.640   7.8369   22.711   7.8344 -1.071405 11.08128 
1 1 1   19    8   22 o   20.335   6.5863   3.9853   2.3997   5.3380   3.4074   2.6543   3.3801   22.689   7.8553   18.346   7.4694 4.342850 10.83962 
1 1 1   19    8   23 o   29.324   5.2731   7.8484   2.3374   9.6959   3.4545   6.2886   3.1743   30.795   7.2663   24.376   7.5360 6.418901 10.46854 
1 1 1   19    8   24 o   12.278   5.6257  -0.6553   2.4482   1.7815   3.5048  -2.9774   3.4213   16.763   7.2529   12.444   5.9832 4.319198 9.402301 
1 1 1   19    8   25 o   18.216   6.4265   3.5521   2.2870   3.7846   3.2607   3.3269   3.2086   18.350   7.3847   17.685   7.2481 0.6641769 10.34739 
1 1 1   19    8   26 o   12.855   5.6656   0.7902   2.2258  -0.4969   3.1820   2.0235   3.1147   12.949   6.0932   15.314   6.7273 -2.365055 9.076529 
1 1 1   19    9    0 o   75.558   3.0839   45.132   3.6428   45.132   3.6428   45.132   3.6428   75.558   3.0839   75.558   3.0839 0.000000 0.000000 
1 1 1   19    9    1 o   43.856   3.2537   15.259   2.2233   13.934   3.1186   16.628   3.1705   41.605   4.8685   45.576   4.4911 -3.971012 6.623611 
1 1 1   19    9    2 o  113.021   1.7704  100.399   3.1401   98.939   4.4207  101.887   4.4611  112.100   2.5129  113.759   2.4989 -1.659866 3.543910 
1 1 1   19    9    3 o   63.500   2.4646   31.793   2.4513   31.783   3.4889   31.803   3.4450   63.331   3.5244   63.359   3.4781 -0.2787399E-01 4.951617 
1 1 1   19    9    4 o   40.107   3.5320   12.808   2.2004   14.461   3.1842   11.298   3.0442   42.374   4.8772   37.280   5.3572 5.094357 7.244776 
1 1 1   19    9    5 o   69.903   2.4254   38.524   2.6566   37.962   3.6410   39.163   3.8848   69.240   3.3609   70.296   3.5329 -1.056290 4.876150 
1 1 1   19    9    6 o   93.958   2.3114   69.508   3.4080   72.126   5.1945   67.530   4.5159   95.443   3.4739   92.429   3.1178 3.013641 4.667812 
1 1 1   19    9    7 o   21.198   6.5344   3.6404   2.3887   3.2274   3.3669   4.0589   3.3894   21.482   7.7725   22.997   7.8390 -1.515207 11.03910 
1 1 1   19    9    8 o   32.117   5.3615   8.4783   2.6071   5.5708   3.5415   11.918   3.8520   25.920   7.9505   37.810   6.7390 -11.88992 10.42231 
1 1 1   19    9    9 o   26.978   6.1191   6.1103   2.5308   8.7810   3.4315   2.9251   3.7476   32.228   6.9869   21.452   8.1181 10.77631 10.71076 
1 1 1   19    9   10 f   94.203   2.1987   69.946   3.2504   70.143   4.5321   69.738   4.6643   94.085   3.0736   93.783   3.1738 0.3024750 4.418208 
1 1 1   19    9   11 o   22.365   6.5337   4.1888   2.4362   6.8724   3.3461   1.1614   3.5540   28.279   7.4408   18.446   7.6012 9.832514 10.63696 
1 1 1   19    9   12 o   26.891   5.9958   6.1227   2.4657   8.4975   3.4773   3.7212   3.4968   31.411   7.2075   22.206   7.9352 9.205198 10.71983 
1 1 1   19    9   13 o  107.696   2.0680   91.504   3.4951   87.774   4.9056   95.349   4.9808  105.132   2.9764  109.611   2.8981 -4.479691 4.154297 
1 1 1   19    9   14 o   67.908   2.5217   36.558   2.6827   39.347   3.8331   33.880   3.7559   70.128   3.4940   64.986   3.6981 5.142403 5.087647 
1 1 1   19    9   15 o   11.007   5.1645  -2.1333   2.2575  -1.5851   3.2166  -2.6655   3.1690   14.292   6.5105   13.194   6.1675 1.098319 8.967977 
1 1 1   19    9   16 o   45.446   3.4660   16.633   2.4533   14.910   3.4510   18.394   3.4882   42.283   5.3182   47.281   4.7661 -4.998028 7.141326 
1 1 1   19    9   17 o   14.765   6.0764   0.8191   2.2672   3.7036   3.2474  -1.9238   3.1667   21.393   7.6466   13.719   6.3270 7.673550 9.924788 
1 1 1   19    9   18 o   43.187   3.6713   15.189   2.4646   16.322   3.4983   14.072   3.4728   44.027   5.1611   40.605   5.5988 3.421883 7.614696 
1 1 1   19    9   19 o   18.127   6.4476   2.6924   2.3060  -1.7275   3.2189   7.3526   3.3053   13.759   6.3573   27.948   7.4148 -14.18905 9.767057 
1 1 1   19    9   20 o   46.479   3.6009   17.825   2.6061   18.159   3.9151   17.560   3.4921   45.394   5.6155   45.122   5.0164 0.2717476 7.529801 
1 1 1   19    9   21 o   14.119   6.1025   0.4944   2.4760  -2.7641   3.3340   4.5020   3.6974   12.804   6.0875   21.497   8.0793 -8.692966 10.11600 
1 1 1   19    9   22 o   11.405   5.4329  -2.4219   2.6821  -3.1189   3.9957  -1.8502   3.6183   13.710   6.5585   13.888   6.5232 -0.1776104 9.250211 
1 1 1   19    9   23 o   15.700   6.4466   1.6984   2.5444   3.5085   3.6147  -0.0792   3.5821   19.304   7.7730   15.143   6.8872 4.160879 10.38522 
1 1 1   19    9   24 o   20.977   7.1116   4.7844   2.7891   1.6864   3.8191   8.3252   4.0830   16.702   7.3883   25.780   8.6036 -9.078499 11.34056 
1 1 1   19    9   25 o   15.545   6.1121   2.3423   2.1839  -0.4960   3.1246   5.0528   3.0535   13.106   6.1257   20.189   7.3874 -7.082802 9.596743 
1 1 1   19   10    0 o   50.518   4.3480   20.574   3.3858   20.574   3.3858   20.574   3.3858   50.518   4.3480   50.518   4.3480 0.000000 0.000000 
1 1 1   19   10    1 o   78.145   2.1769   48.087   2.6670   51.756   3.7920   44.495   3.7519   80.948   2.9902   75.010   3.1946 5.937408 4.375700 
1 1 1   19   10    2 o   73.951   2.5021   43.122   2.8995   39.848   3.8215   47.564   4.4512   70.928   3.4436   77.458   3.6724 -6.530083 5.034346 
1 1 1   19   10    3 o   68.441   2.7594   36.987   2.9576   36.359   4.0476   37.708   4.3324   67.659   3.8277   68.862   4.0266 -1.203720 5.555614 
1 1 1   19   10    4 o   48.690   3.5939   18.856   2.7267   20.651   3.8355   17.023   3.8771   50.688   4.8820   45.823   5.5016 4.865715 7.355360 
1 1 1   19   10    5 o   26.910   6.2748   6.0592   2.6009   2.9004   3.5740   9.6150   3.7920   21.251   7.9524   33.776   7.3624 -12.52494 10.83720 
1 1 1   19   10    6 o   48.545   3.6747   18.777   2.7787   18.701   4.1319   18.840   3.7545   47.973   5.5932   48.311   5.0256 -0.3380852 7.519312 
1 1 1   19   10    7 o   55.601   3.0288   24.503   2.6328   23.991   3.6576   25.053   3.7926   54.739   4.2922   55.928   4.3556 -1.188549 6.115066 
1 1 1   19   10    8 o   20.680   6.5307   3.4523   2.3707   3.3272   3.2789   3.5892   3.4317   21.442   7.6815   22.098   7.8648 -0.6555614 10.99364 
1 1 1   19   10    9 f   66.832   2.8074   35.368   2.9379   34.548   3.9721   36.359   4.3652   65.785   3.8646   67.406   4.1467 -1.621445 5.668396 
1 1 1   19   10   10 o   66.791   2.5833   35.298   2.7026   37.614   3.8115   32.956   3.8327   68.701   3.5473   64.214   3.8206 4.486717 5.213475 
1 1 1   19   10   11 o   14.684   6.0509   0.6552   2.2521   0.5978   3.1155   0.7180   3.2592   16.708   7.0189   17.189   7.1972 -0.4809723 10.05311 
1 1 1   19   10   12 o   58.556   2.7987   27.230   2.5644   28.815   3.6236   25.640   3.6296   59.917   3.8745   56.420   4.1280 3.497261 5.661425 
1 1 1   19   10   13 o   54.120   3.0297   23.345   2.5628   20.898   3.5867   25.897   3.6633   50.696   4.5569   56.635   4.1506 -5.939411 6.163840 
1 1 1   19   10   14 o   50.960   3.1952   20.770   2.5424   21.724   3.6017   19.822   3.5893   51.657   4.4874   49.241   4.7019 2.416176 6.499624 
1 1 1   19   10   15 o   37.435   4.2065   11.452   2.4285   11.294   3.4181   11.613   3.4509   36.359   6.2137   36.896   6.1783 -0.5370216 8.762478 
1 1 1   19   10   16 o   38.046   4.3057   11.886   2.5257   13.659   3.6989   10.339   3.4570   39.993   6.0853   34.435   6.6378 5.557930 9.005059 
1 1 1   19   10   17 o   54.667   3.0282   23.985   2.5878   26.406   3.7307   21.740   3.5925   56.787   4.2164   51.347   4.5040 5.440228 6.169588 
1 1 1   19   10   18 o   22.041   6.5414   4.3421   2.4259   4.1419   3.5780   4.5124   3.3002   22.025   8.0062   22.533   7.7337 -0.5085411 11.13148 
1 1 1   19   10   19 o   47.234   3.6227   18.348   2.6648   20.220   3.8094   16.555   3.7292   48.566   5.0730   43.522   5.5888 5.043518 7.547887 
1 1 1   19   10   20 f   15.582   6.4689   1.2673   2.6003   3.4793   4.0007  -0.3506   3.4216   20.384   8.1881   15.138   6.8229 5.246508 10.65816 
1 1 1   19   10   21 o   29.922   5.4115   8.1254   2.4475   8.5402   3.4268   7.6934   3.4970   28.923   7.4908   27.112   7.8007 1.810770 10.81496 
1 1 1   19   10   22 o   19.529   6.4209   3.7018   2.2765   3.8749   3.2835   3.5415   3.1589   19.875   7.5807   19.293   7.4162 0.5817242 10.60507 
1 1 1   19   10   23 o   17.802   6.3955   3.0225   2.2747   1.5659   3.2216   4.4708   3.2124   16.246   6.9909   20.542   7.5671 -4.295628 10.30206 
1 1 1   19   10   24 o   20.005   6.9880   4.4730   2.6996   5.6436   3.6558   3.0691   4.0034   21.250   8.0234   17.830   7.7328 3.419918 11.14327 
1 1 1   19   10   25 o   19.160   6.5302   4.2559   2.3521   5.0803   3.3561   3.4601   3.2974   19.515   7.6051   17.222   7.2270 2.293276 10.49132 
1 1 1   19   11    0 f   71.892   4.6652   41.356   5.2117   41.356   5.2117   41.356   5.2117   71.892   4.6652   71.892   4.6652 0.000000 0.000000 
1 1 1   19   11    1 o   80.021   3.1073   50.648   3.8947   60.245   5.5280   41.188   5.4881   87.048   4.0579   71.709   4.9064 15.33860 6.367056 
1 1 1   19   11    2 o   72.966   2.9483   42.094   3.3690   42.486   4.8113   41.717   4.7190   73.019   4.2167   72.365   4.1731 0.6541214 5.932619 
1 1 1   19   11    3 o  111.349   2.1177   97.598   3.7006   95.645   5.2154   99.578   5.2516  110.007   3.0239  112.258   2.9837 -2.251381 4.248116 
1 1 1   19   11    4 o   78.946   2.4202   49.162   2.9949   50.981   4.3650   47.544   4.1166   80.172   3.4777   77.437   3.3958 2.735367 4.860669 
1 1 1   19   11    5 o   45.503   3.5433   16.503   2.5103   10.890   3.5656   22.018   3.5347   36.153   6.5247   52.417   4.3359 -16.26334 7.834009 
1 1 1   19   11    6 o   39.059   4.2441   12.285   2.5596   9.7459   3.8260   14.343   3.4438   33.878   7.4039   41.944   5.3538 -8.066051 9.136815 
1 1 1   19   11    7 o   56.472   3.0791   25.308   2.7184   25.210   3.9035   25.401   3.7880   56.014   4.4779   56.271   4.3228 -0.2567673 6.223969 
1 1 1   19   11    8 o   60.906   2.9202   29.414   2.7830   29.581   4.0168   29.260   3.8594   60.730   4.2414   60.443   4.0929 0.2861252 5.894226 
1 1 1   19   11    9 o   77.935   2.4729   48.015   3.0207   49.201   4.3916   46.951   4.1615   78.578   3.5707   76.793   3.4621 1.785973 4.973497 
1 1 1   19   11   10 o   87.771   2.3291   60.868   3.2053   60.359   4.5816   61.356   4.4858   87.079   3.3590   87.833   3.2601 -0.7540054 4.680962 
1 1 1   19   11   11 o   92.671   2.1986   67.797   3.1974   69.354   4.4787   66.179   4.5663   93.416   3.0592   91.198   3.1955 2.217964 4.423831 
1 1 1   19   11   12 o   36.308   4.4874   10.778   2.5025   11.202   3.4787   10.322   3.6028   36.351   6.3279   34.644   6.8694 1.706337 9.339747 
1 1 1   19   11   13 o   55.652   3.0681   24.717   2.6691   25.225   3.7306   24.184   3.8204   55.780   4.2949   54.523   4.5052 1.257023 6.224382 
1 1 1   19   11   14 o   14.067   6.0305   0.1285   2.3804  -0.2699   3.3144   0.5529   3.4209   15.876   6.9578   17.083   7.2737 -1.207055 10.06569 
1 1 1   19   11   15 o   17.881   6.6358   2.2719   2.4784   1.0977   3.6560   3.2705   3.3714   18.136   7.6102   20.862   7.7399 -2.725880 10.85455 
1 1 1   19   11   16 o   54.045   3.3246   23.533   2.8061   19.088   3.9832   27.912   3.9537   47.622   5.4266   58.352   4.3489 -10.73031 6.954178 
1 1 1   19   11   17 o   31.669   5.4520   8.6182   2.6118   8.3424   3.7420   8.8802   3.6471   29.897   7.8697   31.030   7.5603 -1.132875 10.91284 
1 1 1   19   11   18 o   51.448   3.4701   21.608   2.7852   23.372   3.9794   19.914   3.8997   52.545   4.8817   48.212   5.2383 4.333107 7.160398 
1 1 1   19   11   19 o   43.026   3.7391   15.364   2.4996   16.584   3.5380   14.147   3.5320   43.586   5.2801   39.798   5.8279 3.787521 7.864086 
1 1 1   19   11   20 o   42.773   3.9954   15.453   2.6508   18.869   4.0289   12.846   3.5200   45.666   5.7491   37.156   6.2591 8.510555 8.498760 
1 1 1   19   11   21 o   15.809   6.2628   1.8667   2.3083   6.0276   3.2813  -2.2097   3.2478   23.871   7.6992   12.861   6.0833 11.00970 9.812471 
1 1 1   19   11   22 o   12.285   5.5571  -0.4088   2.2940  -3.0580   3.2394   2.2564   3.2492   12.125   5.8278   17.306   7.2117 -5.181111 9.272117 
1 1 1   19   11   23 o   10.856   5.1100  -1.4773   2.2416  -7.9656   3.1767   4.9568   3.1634   9.3916   4.7281   21.090   7.5461 -11.69805 8.904984 
1 1 1   19   11   24 o   22.098   6.5425   5.4395   2.4291   4.9377   3.2684   6.0586   3.6305   19.856   7.5656   21.282   8.0043 -1.426174 11.01398 
1 1 1   19   12    0 o   64.409   3.8406   33.083   3.8501   33.083   3.8501   33.083   3.8501   64.409   3.8406   64.409   3.8406 0.000000 0.000000 
1 1 1   19   12    1 o  150.735   1.8182  178.746   4.3008  182.765   5.9158  174.241   6.2636  152.251   2.4760  148.594   2.6861 3.656219 3.653142 
1 1 1   19   12    2 o   57.961   3.0763   26.633   2.7882   28.793   4.0050   24.601   3.8839   59.992   4.2822   55.370   4.5087 4.621792 6.218204 
1 1 1   19   12    3 o   32.857   5.1196   8.8447   2.5538   8.8827   3.6279   8.8074   3.5956   32.344   7.3190   32.213   7.2840 0.1309776 10.32595 
1 1 1   19   12    4 o   80.528   2.5766   51.223   3.2519   51.891   4.4685   50.472   4.7414   80.818   3.5318   79.624   3.8056 1.194107 5.191940 
1 1 1   19   12    5 o   28.800   5.8314   6.9300   2.5450   7.0414   3.7021   6.8301   3.5044   28.690   7.9489   28.281   7.6936 0.4093552 11.06235 
1 1 1   19   12    6 o   59.557   2.8458   28.110   2.6521   25.844   3.7677   30.336   3.7339   56.748   4.2618   61.618   3.8811 -4.870094 5.764238 
1 1 1   19   12    7 o  103.727   2.0187   84.775   3.2860   87.288   4.6891   82.350   4.6062  104.999   2.8484  101.974   2.8813 3.025948 4.051551 
1 1 1   19   12    8 o  102.982   2.0619   83.606   3.3322   79.580   4.5862   88.108   4.8498  100.195   2.9198  105.427   2.9342 -5.231178 4.139421 
1 1 1   19   12    9 o   86.251   2.4428   58.832   3.3030   55.417   4.5112   62.778   4.8495   83.382   3.4551   88.742   3.4891 -5.360077 4.910320 
1 1 1   19   12   10 o   72.254   2.5778   41.365   2.9182   41.484   4.1600   41.249   4.0947   71.992   3.6945   71.806   3.6457 0.1859055 5.190413 
1 1 1   19   12   11 o   80.288   2.4051   51.032   3.0269   48.955   4.3177   53.039   4.2444   78.237   3.5258   81.526   3.3245 -3.288605 4.845996 
1 1 1   19   12   12 o   39.395   4.4943   12.694   2.7289   12.224   3.9859   13.109   3.7438   37.612   7.0108   39.320   6.2782 -1.708397 9.411037 
1 1 1   19   12   13 o   11.158   5.3316  -3.2587   2.6247  -0.8757   3.8845  -5.2607   3.5604   16.507   7.3677   12.351   5.9791 4.155510 9.488538 
1 1 1   19   12   14 o   82.926   2.6166   54.680   3.4009   50.276   4.9912   58.497   4.6466   78.789   4.0503   85.347   3.4766 -6.558403 5.337756 
1 1 1   19   12   15 o   16.110   6.6579   1.0082   2.7371  -3.7889   3.9156   5.5924   3.8277   14.038   6.6518   25.041   8.3296 -11.00290 10.65968 
1 1 1   19   12   16 o   41.572   4.1245   14.218   2.6554   17.028   3.9353   11.869   3.5978   44.615   5.7547   36.743   6.4762 7.871952 8.663600 
1 1 1   19   12   17 o   21.971   6.7354   4.3620   2.5422   6.6395   3.7301   2.3865   3.4740   26.321   8.1745   19.047   7.6372 7.274115 11.18702 
1 1 1   19   12   18 o   28.040   6.1288   7.1692   2.6214   6.8938   3.7297   7.4380   3.6852   26.253   8.1774   27.317   8.0509 -1.064369 11.47549 
1 1 1   19   12   19 o   21.132   6.7793   4.2597   2.5464   2.9364   3.6262   5.5470   3.5765   19.244   7.7723   23.365   8.0498 -4.121567 11.18962 
1 1 1   19   12   20 o   16.734   6.6904   2.1173   2.6581   1.1994   3.7801   3.0151   3.7384   16.958   7.4314   19.066   7.8197 -2.107689 10.78765 
1 1 1   19   12   21 o   13.926   6.0764   0.5023   2.5035   3.8934   3.4720  -3.1700   3.6131   19.886   7.7395   12.852   6.1713 7.034274 9.898733 
1 1 1   19   12   22 o   14.863   6.3265   1.1977   2.5866  -1.0240   3.6859   3.3535   3.6308   14.336   6.6848   18.837   7.7139 -4.500743 10.20738 
1 1 1   19   12   23 o   13.907   6.0915   0.8668   2.5371   0.9920   3.5889   0.7417   3.5871   15.399   6.9599   15.162   6.8945 0.2370281 9.796638 
1 1 1   19   12   24 o   14.583   6.3524   1.6236   2.7263   3.9738   3.6118  -1.4892   4.1566   17.822   7.5260   13.553   6.5363 4.268534 9.968203 
1 1 1   19   13    0 o   74.295   3.4527   43.824   4.0057   43.824   4.0057   43.824   4.0057   74.295   3.4527   74.295   3.4527 0.000000 0.000000 
1 1 1   19   13    1 o  106.062   1.9879   88.586   3.3087   88.109   4.6786   89.064   4.6798  105.545   2.8273  106.120   2.8126 -0.5752945 3.987999 
1 1 1   19   13    2 o  140.965   1.7985  156.389   3.9785  156.643   5.6112  156.132   5.6419  140.869   2.5382  140.633   2.5564 0.2362518 3.602504 
1 1 1   19   13    3 o   61.190   2.8083   29.662   2.6895   23.911   3.7927   35.480   3.8144   54.508   4.4732   66.720   3.6570 -12.21173 5.777813 
1 1 1   19   13    4 o   54.025   3.5073   23.277   2.9575   24.882   4.0913   21.519   4.2801   55.505   4.7424   51.374   5.3890 4.131565 7.178520 
1 1 1   19   13    5 o   23.512   6.3172   4.6729   2.3803   3.9391   3.4016   5.3770   3.3321   22.562   7.8465   25.250   7.7054 -2.687544 10.99737 
1 1 1   19   13    6 o   40.797   4.1919   13.443   2.6456   13.112   3.7844   13.761   3.7000   39.598   6.3010   40.708   5.9691 -1.110241 8.679408 
1 1 1   19   13    7 o   40.449   4.3335   13.258   2.7080   12.423   3.8891   14.043   3.7728   38.321   6.7115   41.064   6.0344 -2.743328 9.025404 
1 1 1   19   13    8 o   69.899   2.7668   38.760   3.0289   38.825   4.3080   38.696   4.2595   69.561   3.9628   69.460   3.9236 0.1006851 5.576653 
1 1 1   19   13    9 o   19.087   7.0150   2.5721   2.7582   2.1054   4.1096   2.9546   3.7206   20.508   8.2773   21.120   8.0661 -0.6119919 11.55751 
1 1 1   19   13   10 o   47.473   4.1444   18.246   3.0566   21.573   4.5090   15.417   4.1578   50.970   5.7367   42.703   6.4014 8.266933 8.595810 
1 1 1   19   13   11 o   60.045   3.2458   28.828   3.0471   31.302   4.3198   26.377   4.2987   62.071   4.4646   56.767   4.8725 5.304298 6.608654 
1 1 1   19   13   12 o   30.098   5.8429   7.7316   2.6603   11.551   3.8395   4.2050   3.6894   36.426   6.9707   22.850   8.1523 13.57614 10.72617 
1 1 1   19   13   13 o   27.089   6.0614   6.3534   2.5123   7.9035   3.5764   4.8434   3.5299   29.655   7.6384   23.759   8.0006 5.895662 11.06139 
1 1 1   19   13   14 o   40.158   4.1843   13.228   2.5983   12.509   3.7059   13.923   3.6441   37.957   6.4521   40.375   5.9277 -2.417755 8.761642 
1 1 1   19   13   15 o   58.115   3.0092   27.119   2.7351   24.913   3.8848   29.288   3.8514   54.896   4.5502   59.810   4.1287 -4.913677 6.144114 
1 1 1   19   13   16 f   41.882   4.1288   14.512   2.6784   13.994   3.7071   15.078   3.8741   39.958   6.1053   41.478   6.1367 -1.520382 8.656415 
1 1 1   19   13   17 o   35.810   4.9692   11.038   2.7174   11.518   3.9389   10.603   3.7539   34.807   7.4368   33.419   7.3573 1.388008 10.46120 
1 1 1   19   13   18 o   16.054   6.8193   1.1249   2.9944   4.2843   4.0770  -2.5756   4.4124   21.528   8.3844   15.142   7.1404 6.386571 11.01287 
1 1 1   19   13   19 o   25.452   6.5146   6.2784   2.6127   8.5037   3.7583   4.1969   3.6347   28.300   8.0693   20.795   7.9649 7.505836 11.33813 
1 1 1   19   13   20 o   13.793   6.1141   0.1783   2.6286   0.3436   3.9370   0.0452   3.5310   16.149   7.2951   15.267   6.9014 0.8823833 10.04229 
1 1 1   19   13   21 o   11.658   5.4135  -1.1374   2.3780  -1.9681   3.5380  -0.4530   3.2116   13.435   6.3533   14.097   6.4533 -0.6614532 9.055899 
1 1 1   19   13   22 o   15.124   6.3807   1.5349   2.5920   2.5359   3.7881   0.6537   3.5543   17.518   7.5596   15.330   6.9277 2.187173 10.25383 
1 1 1   19   13   23 o   14.812   6.0872   1.9138   2.2711   1.9002   3.2080   1.9274   3.2156   15.542   6.8275   15.579   6.8398 -0.3664780E-01 9.664226 
1 1 1   19   14    0 o  118.184   2.9271  110.296   5.4213  110.296   5.4213  110.296   5.4213  118.184   2.9271  118.184   2.9271 0.000000 0.000000 
1 1 1   19   14    1 o  118.797   1.9687  111.197   3.6702  107.784   5.1104  114.832   5.2742  116.717   2.7901  120.473   2.7897 -3.755966 3.945528 
1 1 1   19   14    2 o   59.741   2.9345   28.332   2.7427   29.301   3.8438   27.328   3.9147   60.434   4.0768   58.279   4.3109 2.155449 5.933303 
1 1 1   19   14    3 o   60.253   2.8882   28.815   2.7229   31.716   3.9050   26.069   3.7988   62.906   3.9761   56.909   4.2851 5.996864 5.845621 
1 1 1   19   14    4 o   81.559   2.5655   52.641   3.2795   54.028   4.9839   51.581   4.3553   82.185   3.8752   80.455   3.4576 1.729721 5.193454 
1 1 1   19   14    5 o   20.065   6.6985   3.2007   2.4750   2.4243   3.5271   3.9538   3.4737   20.110   7.8079   22.558   7.9234 -2.448462 11.12401 
1 1 1   19   14    6 o   33.891   5.2637   9.5198   2.7087   10.081   3.9068   9.0004   3.7589   34.078   7.5084   32.145   7.5761 1.932194 10.66646 
1 1 1   19   14    7 o   68.627   2.8918   37.427   3.1074   39.341   4.5112   35.700   4.2865   69.909   4.1304   66.587   4.1223 3.321320 5.835539 
1 1 1   19   14    8 o   21.294   6.9902   3.7236   2.6985   6.9205   3.8716   0.7030   3.7632   28.015   8.2508   18.088   7.6623 9.927872 11.25992 
1 1 1   19   14    9 o   65.240   2.8825   33.874   2.9439   29.851   4.0882   38.207   4.2425   60.698   4.3202   68.881   3.9413 -8.182770 5.847852 
1 1 1   19   14   10 o  101.206   2.3390   81.070   3.7149   75.119   4.8969   89.137   5.7016   96.996   3.2216  105.537   3.4472 -8.541412 4.718242 
1 1 1   19   14   11 o   17.417   7.2645   1.0235   3.3013   2.2292   5.2222   0.2210   4.2607   21.968   9.1477   18.324   7.9621 3.643812 12.12749 
1 1 1   19   14   12 o   20.531   7.3552   3.3167   3.0063   3.0130   4.2254   3.6282   4.2783   21.490   8.4858   22.397   8.6252 -0.9072857 12.09972 
1 1 1   19   14   13 o   55.766   3.6454   25.166   3.1727   27.436   4.5076   22.936   4.4666   57.459   5.0503   52.210   5.5358 5.248970 7.493334 
1 1 1   19   14   14 o   39.468   5.0808   13.119   3.0740   9.3162   4.3765   16.822   4.3187   31.282   8.6332   43.908   6.4606 -12.62610 10.78288 
1 1 1   19   14   15 o   46.307   4.2777   17.770   3.0734   24.975   4.5724   11.831   4.1511   54.104   5.4599   35.673   7.6449 18.43109 9.394375 
1 1 1   19   14   16 o   35.767   4.8081   10.938   2.6305   11.084   3.8711   10.814   3.5855   34.181   7.4292   34.137   6.9298 0.4426193E-01 10.15946 
1 1 1   19   14   17 o   24.184   6.4668   5.5165   2.5018   7.9243   3.5900   3.2431   3.4884   28.044   7.8491   19.725   7.7341 8.318415 11.01935 
1 1 1   19   14   18 o   17.828   6.7885   2.7009   2.6304   4.8104   4.0144   1.1139   3.4820   21.868   8.3719   16.583   7.2017 5.285278 11.04329 
1 1 1   19   14   19 o   11.059   5.2202  -1.8350   2.3685   1.2659   3.4065  -4.7370   3.2954   16.408   7.1245   11.300   5.5325 5.107474 9.020350 
1 1 1   19   14   20 o   12.985   5.7917  -0.0112   2.3958  -3.3815   3.4893   2.9949   3.2954   12.413   5.9871   18.340   7.4086 -5.926813 9.525388 
1 1 1   19   14   21 o   19.817   6.5158   4.0200   2.3442   11.639   3.3456  -3.3282   3.2857   34.111   6.4870   11.877   5.7483 22.23342 8.667389 
1 1 1   19   14   22 o   18.036   6.8696   3.5698   2.6940   1.7858   3.7964   5.3795   3.8236   16.131   7.2356   20.362   8.0623 -4.231220 10.83299 
1 1 1   19   14   23 o   9.9904   4.8131  -1.9473   2.2400  -0.7373   3.2119  -3.0930   3.1255   12.743   6.0340   11.046   5.4039 1.696584 8.100083 
1 1 1   19   15    0 o   10.316   7.1562  -3.1864   4.0309  -3.1864   4.0309  -3.1864   4.0309   10.316   7.1562   10.316   7.1562 0.000000 0.000000 
1 1 1   19   15    1 o   59.929   3.4769   28.695   3.2559   22.617   4.6185   34.699   4.5907   52.368   5.7124   65.543   4.4903 -13.17511 7.265985 
1 1 1   19   15    2 o   57.724   3.8803   26.752   3.4946   24.421   5.0970   28.819   4.8006   54.247   6.0925   59.399   5.2025 -5.152184 8.011509 
1 1 1   19   15    3 o   31.813   6.1950   8.5791   2.9816   14.889   4.3067   2.7708   4.1319   41.905   6.7805   21.471   8.4177 20.43383 10.80897 
1 1 1   19   15    4 o   20.694   7.4371   3.2044   3.0764   3.1736   4.6906   3.2277   4.0753   22.738   8.9524   22.009   8.4329 0.7286892 12.29872 
1 1 1   19   15    5 o   39.660   4.9123   12.922   2.9920   11.147   4.0812   14.983   4.3994   35.772   7.5097   41.895   6.9339 -6.122368 10.22125 
1 1 1   19   15    6 o   44.113   4.2201   15.789   2.8859   12.359   4.0164   19.449   4.1494   37.885   7.0138   48.454   5.5574 -10.56869 8.948650 
1 1 1   19   15    7 o   76.832   2.6946   46.879   3.2439   49.731   4.5644   43.968   4.6112   78.724   3.7050   73.879   3.9921 4.844841 5.446484 
1 1 1   19   15    8 o   18.176   6.9033   2.1711   2.7157   4.5764   3.8973  -0.0992   3.7863   23.719   8.3873   17.135   7.4748 6.583654 11.23476 
1 1 1   19   15    9 o   73.178   2.8075   42.635   3.2181   39.567   4.8045   45.131   4.3340   69.754   4.4116   74.899   3.6987 -5.145142 5.757020 
1 1 1   19   15   10 o   26.021   6.3995   5.9092   2.5948   4.4777   3.6642   7.3491   3.6749   23.213   8.1390   28.542   7.9241 -5.329163 11.35931 
1 1 1   19   15   11 o   10.410   5.0719  -4.4537   2.6736  -4.7103   4.0561  -4.2566   3.5553   13.795   6.6013   12.903   6.1761 0.8919497 9.039993 
1 1 1   19   15   12 o   23.971   6.6148   5.0919   2.5694   3.3963   3.5899   6.8729   3.6792   21.122   7.9562   27.344   8.0405 -6.221479 11.31156 
1 1 1   19   15   13 o   28.899   5.9396   7.3049   2.6036   7.5941   3.6595   7.0084   3.7050   28.553   7.9000   27.398   8.0718 1.154778 11.29444 
1 1 1   19   15   14 o   24.449   6.5152   5.4108   2.5447   3.4408   3.5455   7.5041   3.6547   20.780   7.8888   28.100   7.9389 -7.320051 11.19196 
1 1 1   19   15   15 o   23.105   6.7134   4.9604   2.5783   6.9427   3.6609   3.0096   3.6317   26.548   8.0717   19.855   7.8587 6.692247 11.26555 
1 1 1   19   15   16 o   15.587   6.5794   1.0520   2.7584   0.7747   3.7371   1.3840   4.0884   16.890   7.3955   18.043   7.8199 -1.153030 10.76314 
1 1 1   19   15   17 o   13.403   6.0778  -0.5787   2.7644  -3.1347   3.7511   2.4596   4.0898   13.371   6.3849   18.872   7.9909 -5.500709 10.22844 
1 1 1   19   15   18 o   37.017   5.1042   12.287   2.8862   11.420   3.9711   13.258   4.2021   33.015   7.7911   35.780   7.7112 -2.764904 10.96187 
1 1 1   19   15   19 o   13.724   6.1197   0.1163   2.6734   0.6121   3.6150  -0.4822   3.9716   15.821   7.0814   15.352   7.0821 0.4692383 10.01509 
1 1 1   19   15   20 o   12.362   5.7163  -0.9011   2.6103  -0.7628   3.9030  -1.0130   3.5111   14.814   6.8982   13.999   6.5267 0.8150835 9.496432 
1 1 1   19   15   21 o   14.632   6.1467   1.5238   2.3890   0.7078   3.2909   2.4330   3.4736   14.775   6.6724   16.829   7.2506 -2.054153 9.853566 
1 1 1   19   15   22 o   14.084   6.0739   1.4484   2.4424  -0.2256   3.4969   3.0429   3.4128   13.624   6.4036   16.710   7.1929 -3.085708 9.630302 
1 1 1   19   16    0 f   20.712   10.567   5.3545   4.3242   5.3545   4.3242   5.3545   4.3242   20.712   10.567   20.712   10.567 0.000000 0.000000 
1 1 1   19   16    1 o   26.353   6.6794   6.0098   2.7655   6.2144   3.9578   5.8145   3.8657   26.706   8.4388   25.961   8.3552 0.7444286 11.87532 
1 1 1   19   16    2 o   12.714   5.8429  -1.7061   2.6676  -1.6160   3.8195  -1.7920   3.7274   15.761   7.1459   15.389   7.0093 0.3721781 10.00970 
1 1 1   19   16    3 o   26.528   6.5972   6.0919   2.7350   8.9653   3.8272   3.0932   3.9098   31.845   7.7358   21.484   8.2527 10.36095 11.31147 
1 1 1   19   16    4 f   57.064   3.2401   26.035   2.8896   27.600   4.1098   24.506   4.0635   58.251   4.5315   54.763   4.7761 3.488266 6.583722 
1 1 1   19   16    5 o   47.640   3.6551   18.279   2.7118   18.477   3.8267   18.079   3.8434   47.271   5.2468   46.712   5.3388 0.5588341 7.485463 
1 1 1   19   16    6 o   46.534   3.8057   17.494   2.7549   18.679   3.8717   16.279   3.9209   47.482   5.2854   44.051   5.8136 3.431587 7.857069 
1 1 1   19   16    7 o   22.198   6.8315   4.2252   2.6121   3.4407   3.7321   4.9785   3.6573   21.635   8.1201   24.157   8.1437 -2.522156 11.50023 
1 1 1   19   16    8 o   53.175   3.6189   22.804   3.0019   23.708   4.5770   22.121   3.9767   53.275   5.5561   51.766   4.9557 1.509384 7.445104 
1 1 1   19   16    9 o   61.417   3.0234   30.178   2.9051   31.095   4.1182   29.269   4.0987   61.761   4.2754   59.849   4.3946 1.911785 6.131211 
1 1 1   19   16   10 o   18.477   6.7796   2.5473   2.5744   2.6095   3.5956   2.4820   3.6877   19.982   7.8470   19.925   7.9086 0.5757141E-01 11.14096 
1 1 1   19   16   11 o   48.762   4.2640   19.544   3.2301   17.595   4.4387   21.739   4.7093   44.960   6.4777   50.316   6.0878 -5.355583 8.889458 
1 1 1   19   16   12 o   31.685   5.5448   8.6637   2.6567   8.2350   3.6505   9.1465   3.8737   29.721   7.7486   31.261   7.8955 -1.539715 11.06252 
1 1 1   19   16   13 f   70.402   2.8292   39.826   3.1194   39.880   4.5313   39.778   4.3009   69.502   4.1737   69.588   3.9546 -0.8631134E-01 5.749699 
1 1 1   19   16   14 o   15.115   6.3185   0.9570   2.5057   0.5430   3.5450   1.3704   3.5421   16.537   7.2230   17.499   7.4243 -0.9619484 10.35817 
1 1 1   19   16   15 o   20.557   6.8253   3.9516   2.5703   5.1912   3.6575   2.7422   3.6128   22.896   8.1224   19.094   7.7413 3.801788 11.22054 
1 1 1   19   16   16 o   11.398   5.3628  -1.8484   2.4634   2.0482   3.5680  -5.3978   3.4053   17.819   7.5000   11.300   5.5511 6.518229 9.330859 
1 1 1   19   16   17 o   22.848   6.6639   5.2008   2.5361  -0.7776   3.5688   11.300   3.6047   14.619   6.7329   33.641   7.0538 -19.02154 9.751284 
1 1 1   19   16   18 o   23.807   6.5179   5.6824   2.5060   7.1662   3.5187   4.1554   3.5698   25.404   7.9472   20.169   7.8482 5.235172 11.16927 
1 1 1   19   16   19 o   15.603   6.4363   1.7492   2.5515   2.6522   3.5806   0.8176   3.6368   17.841   7.5116   15.853   7.0986 1.987942 10.33509 
1 1 1   19   16   20 o   11.541   5.4471  -1.4931   2.5780  -0.2805   3.7871  -2.5403   3.5193   14.660   6.8158   12.626   6.0700 2.034562 9.126899 
1 1 1   19   16   21 o   19.486   7.0679   4.6201   2.7864   4.4661   3.9565   4.7717   3.9247   18.525   7.8525   18.900   7.9047 -0.3747406 11.14208 
1 1 1   19   16   22 o   12.651   5.7749   0.3794   2.5476  -0.2361   3.6366   0.9725   3.5701   13.469   6.3903   14.330   6.6469 -0.8609600 9.220472 
1 1 1   19   17    0 o   37.376   7.2251   12.482   3.7818   12.482   3.7818   12.482   3.7818   37.376   7.2251   37.376   7.2251 0.000000 0.000000 
1 1 1   19   17    1 o   28.136   6.0086   6.7933   2.5723   6.9668   3.6326   6.6188   3.6431   27.949   7.9213   27.273   7.9960 0.6758671 11.25534 
1 1 1   19   17    2 f   17.934   6.7111   2.2068   2.5453   0.9027   3.5887   3.5268   3.6106   17.864   7.5207   21.674   8.0156 -3.810020 10.99136 
1 1 1   19   17    3 o   51.896   3.4518   21.644   2.7952   19.628   3.9294   23.708   3.9769   48.672   5.2263   53.768   4.7624 -5.096203 7.070695 
1 1 1   19   17    4 o   22.330   6.7677   4.2937   2.5763   3.9517   3.6245   4.6429   3.6627   22.333   8.0666   23.547   8.1447 -1.213253 11.46321 
1 1 1   19   17    5 o   61.185   3.2717   30.015   3.1300   28.327   4.3398   31.845   4.5185   58.746   4.7478   62.361   4.6506 -3.615185 6.646069 
1 1 1   19   17    6 o   51.265   3.8130   21.281   3.0456   24.456   4.3889   18.332   4.2298   54.270   5.2176   46.552   5.9239 7.717155 7.894005 
1 1 1   19   17    7 o   13.817   6.1851  -0.8032   2.7588  -1.9056   3.9530   0.2435   3.8520   15.602   7.1488   17.461   7.5789 -1.858805 10.41850 
1 1 1   19   17    8 o   17.231   7.2766   0.8804   3.3763   6.4864   4.7249  -4.9687   4.8263   26.741   9.2505   15.235   7.2660 11.50592 11.76293 
1 1 1   19   17    9 o   12.965   5.9737  -1.6853   2.8141  -6.2755   3.9664   2.9669   3.9931   12.615   6.1531   20.888   8.2489 -8.273237 10.29101 
1 1 1   19   17   10 o   68.186   2.8790   37.263   3.0737   41.325   4.4005   33.392   4.2952   71.161   3.9561   63.707   4.3218 7.453728 5.859112 
1 1 1   19   17   11 o   53.499   4.0355   23.533   3.3631   26.029   4.6975   20.907   4.8171   55.243   5.4911   48.738   6.4569 6.505219 8.476046 
1 1 1   19   17   12 o   58.437   3.1709   27.683   2.8970   22.193   4.0096   33.680   4.1903   51.040   5.0729   63.709   4.2149 -12.66910 6.595477 
1 1 1   19   17   13 o   28.373   6.0661   7.3320   2.6191   8.8506   3.6905   5.7911   3.7176   29.982   7.7781   24.197   8.2104 5.784945 11.30964 
1 1 1   19   17   14 o   40.560   4.3406   14.008   2.7199   14.076   3.8549   13.940   3.8383   38.842   6.5574   38.645   6.5635 0.1967239 9.277872 
1 1 1   19   17   15 o   33.348   5.2187   9.9560   2.6416   7.4979   3.7839   12.293   3.6894   26.383   8.2394   35.638   6.8457 -9.254501 10.71225 
1 1 1   19   17   16 o   21.076   6.9878   4.4797   2.6944   5.7300   3.8394   3.2665   3.7821   22.836   8.2947   19.218   7.8718 3.618557 11.43532 
1 1 1   19   17   17 o   24.051   6.8128   5.9273   2.6877   4.0004   3.7240   8.0223   3.8830   19.933   7.9357   26.391   8.3611 -6.458710 11.52755 
1 1 1   19   17   18 o   25.956   6.5656   6.8526   2.6758   7.9721   3.7453   5.6855   3.8242   26.167   8.2010   22.139   8.2377 4.028076 11.62394 
1 1 1   19   17   19 o   10.695   5.1063  -2.0142   2.3980   0.3170   3.4484  -4.1970   3.3368   14.765   6.7318   11.332   5.5521 3.433215 8.725970 
1 1 1   19   17   20 o   10.312   4.9837  -2.3226   2.4473  -3.5853   3.5516  -1.1810   3.3769   11.688   5.7269   12.889   6.1275 -1.200747 8.387090 
1 1 1   19   17   21 o   14.423   6.0965   1.9024   2.3738   2.4405   3.4067   1.3946   3.3096   15.623   6.9409   14.514   6.6086 1.108780 9.583854 
1 1 1   19   18    0 o   7.7802   5.6281  -6.6896   3.6141  -6.6896   3.6141  -6.6896   3.6141   7.7802   5.6281   7.7802   5.6281 0.000000 0.000000 
1 1 1   19   18    1 o   41.279   4.2424   13.950   2.7091   10.519   3.9051   17.133   3.7614   34.328   7.4624   45.239   5.4050 -10.91133 9.214229 
1 1 1   19   18    2 o   19.725   6.9005   3.1089   2.6330   4.1876   3.7607   2.0716   3.6877   22.721   8.2153   19.433   7.8418 3.288521 11.35715 
1 1 1   19   18    3 o   19.146   6.8908   2.8219   2.6421   2.5873   3.8412   3.0326   3.6398   20.354   8.0739   20.742   7.9639 -0.3876629 11.34070 
1 1 1   19   18    4 o   70.283   2.8095   39.423   3.0925   44.575   4.3590   34.201   4.3880   74.260   3.7527   64.696   4.3472 9.563606 5.742846 
1 1 1   19   18    5 o   50.539   3.6101   20.670   2.8444   17.281   4.0176   24.076   4.0276   45.110   5.8100   53.952   4.8072 -8.842491 7.540937 
1 1 1   19   18    6 o   48.985   3.7133   19.484   2.8332   22.094   4.0570   16.999   3.9584   51.446   5.0917   44.686   5.7800 6.759964 7.702841 
1 1 1   19   18    7 o   21.679   7.1066   4.0903   2.7895   1.1648   4.0946   6.6238   3.8105   18.723   7.9644   26.711   8.2566 -7.987431 11.47184 
1 1 1   19   18    8 o   44.205   4.4618   16.205   3.0529   20.601   4.0597   10.485   4.6315   49.353   5.3260   32.988   8.7890 16.36482 10.27675 
1 1 1   19   18    9 o   23.616   6.8515   5.0593   2.6873   10.939   3.8599  -0.4717   3.7437   34.510   7.3524   16.184   7.2276 18.32631 10.30998 
1 1 1   19   18   10 o   62.705   3.1229   31.795   3.0634   31.592   4.2826   32.007   4.3838   61.568   4.4628   61.907   4.5440 -0.3392296 6.369021 
1 1 1   19   18   11 o   71.547   3.4594   41.859   3.8727   42.198   5.2329   41.448   5.7584   70.593   4.7513   69.307   5.3355 1.286339 7.144386 
1 1 1   19   18   12 o   51.728   4.1284   22.460   3.3235   20.321   4.6043   24.787   4.8023   47.157   6.3857   52.630   5.9168 -5.473038 8.705438 
1 1 1   19   18   13 o   30.955   6.5241   9.0838   3.0692   4.5441   4.2536   14.014   4.4328   21.719   8.5331   37.326   7.8186 -15.60674 11.57342 
1 1 1   19   18   14 o   19.791   7.3280   3.7488   3.0194   8.6480   4.2918  -1.0521   4.2485   27.607   8.7954   15.609   7.2440 11.99735 11.39451 
1 1 1   19   18   15 o   14.771   6.3919   0.8380   2.7230  -0.4744   3.8420   2.1627   3.8599   15.245   7.0083   17.854   7.6670 -2.608888 10.38748 
1 1 1   19   18   16 o   22.279   6.8585   5.1299   2.6326   8.3851   3.8869   2.3712   3.5782   26.950   8.3403   17.640   7.4721 9.309414 11.19796 
1 1 1   19   18   17 o   10.243   4.9651  -3.0212   2.4762  -2.2075   3.5214  -3.8170   3.4827   13.101   6.2366   12.003   5.8347 1.098003 8.540432 
1 1 1   19   18   18 o   15.361   6.3003   1.8790   2.4267   1.7804   3.4222   1.9787   3.4415   16.220   7.0903   16.463   7.1546 -0.2428970 10.07282 
1 1 1   19   18   19 o   16.889   6.4635   3.0734   2.3923  -0.2273   3.3648   6.4475   3.4019   13.610   6.3597   22.038   7.8319 -8.427357 10.08887 
1 1 1   19   18   20 o   8.8626   4.4246  -4.7323   2.5147  -5.8102   3.7777  -3.8747   3.3697   10.768   5.3829   10.953   5.4077 -0.1853552 7.630137 
1 1 1   19   19    0 o   19.564   9.7772   4.8821   3.6611   4.8821   3.6611   4.8821   3.6611   19.564   9.7772   19.564   9.7772 0.000000 0.000000 
1 1 1   19   19    1 o   17.707   6.7402   2.1627   2.5925   1.6779   3.6303   2.6672   3.7033   18.637   7.6815   20.107   7.9428 -1.469835 11.04961 
1 1 1   19   19    2 o   26.838   6.5073   6.4022   2.7120   6.6307   3.8578   6.1789   3.8134   26.753   8.3139   25.934   8.2938 0.8196220 11.74345 
1 1 1   19   19    3 o   17.298   6.7694   1.8833   2.6680   0.4661   3.7646   3.3134   3.7818   17.358   7.5135   21.091   8.1126 -3.733356 11.05747 
1 1 1   19   19    4 o   16.871   6.7010   1.6670   2.6493  -0.7440   3.7559   4.0543   3.7374   16.051   7.1985   22.151   8.1617 -6.100296 10.88265 
1 1 1   19   19    5 o   30.739   5.9250   8.2549   2.7545   11.422   3.9622   5.2922   3.8320   35.406   7.3710   24.201   8.3325 11.20481 11.12484 
1 1 1   19   19    6 f   48.313   3.8371   19.109   2.8853   19.806   4.0811   18.412   4.0798   48.177   5.4961   46.268   5.7421 1.909275 7.948472 
1 1 1   19   19    7 o   37.671   4.8663   12.005   2.8096   8.3979   4.0157   15.464   3.9324   29.484   8.3191   41.980   6.1516 -12.49562 10.34645 
1 1 1   19   19    8 f   23.799   7.3627   5.2893   3.0294   6.0821   4.1464   4.3817   4.4367   25.109   8.6667   22.642   8.7664 2.466080 12.32723 
1 1 1   19   19    9 o   44.033   5.0362   16.658   3.4176   13.683   4.9151   19.443   4.7552   36.885   8.6433   46.099   6.7750 -9.214294 10.98215 
1 1 1   19   19   10 o   54.536   3.6904   24.612   3.1398   25.594   4.4041   23.597   4.4774   54.235   5.2397   51.703   5.6080 2.532131 7.674880 
1 1 1   19   19   11 o   48.575   4.1383   19.931   3.1246   22.983   4.1974   16.138   4.6794   51.047   5.3176   40.446   7.6526 10.60095 9.318752 
1 1 1   19   19   12 o   17.801   6.8411   2.6802   2.6875   4.1116   3.8429   1.3100   3.7600   20.748   8.1229   17.141   7.4634 3.607361 11.03107 
1 1 1   19   19   13 o   50.996   3.5790   21.807   2.8460   24.069   4.0375   19.573   4.0124   52.046   5.0050   46.184   5.6539 5.861839 7.550935 
1 1 1   19   19   14 o   16.024   6.5159   1.8986   2.5684  -1.7272   3.6012   5.6524   3.6642   13.772   6.4811   22.548   8.1149 -8.775475 10.38540 
1 1 1   19   19   15 o   16.050   6.5259   1.9830   2.5761   2.0419   3.6821   1.9265   3.6053   17.267   7.4523   17.061   7.3688 0.2058830 10.48028 
1 1 1   19   19   16 o   14.670   6.3127   1.1035   2.6270   1.3750   3.5670   0.7817   3.8832   16.214   7.1578   15.992   7.2324 0.2220898 10.17558 
1 1 1   19   19   17 o   17.795   7.1391   3.2308   3.0373   2.2311   4.1258   4.4138   4.4879   17.144   7.6263   19.485   8.3150 -2.341381 11.28269 
1 1 1   19   19   18 o   16.555   6.8429   2.8945   2.8921   3.7640   4.0631   2.0017   4.1174   17.759   7.7450   16.114   7.3501 1.644644 10.67755 
1 1 1   19   19   19 o   13.324   6.0822   0.6952   2.8263  -1.6467   3.9273   3.2111   4.0706   12.887   6.2481   16.475   7.4322 -3.588213 9.709575 
1 1 1   19   20    0 o   36.338   7.9127   12.378   3.9537   12.378   3.9537   12.378   3.9537   36.338   7.9127   36.338   7.9127 0.000000 0.000000 
1 1 1   19   20    1 o   21.831   6.9992   4.2638   2.7146   1.7408   3.7678   6.9869   3.9144   18.674   7.7726   27.011   8.3715 -8.336578 11.42348 
1 1 1   19   20    2 o   48.385   4.2361   19.379   3.1841   14.746   4.5899   23.678   4.4209   39.948   7.5991   52.676   5.4256 -12.72771 9.337180 
1 1 1   19   20    3 o   10.446   5.1465  -5.7009   2.9970  -9.8632   3.9240   0.1268   4.6431   10.830   5.4246   18.253   8.1067 -7.423279 9.754256 
1 1 1   19   20    4 o   23.313   7.3753   5.0243   3.0223   4.7810   4.0745   5.3218   4.5065   23.105   8.5202   24.089   8.9463 -0.9839649 12.35440 
1 1 1   19   20    5 o   14.071   6.4027  -1.0587   3.1007   0.0792   4.3255  -2.2615   4.4471   17.543   7.8059   15.825   7.3669 1.717999 10.73330 
1 1 1   19   20    6 o   16.236   6.9886   0.7462   3.2214   0.3807   4.4899   1.1341   4.6248   17.938   7.9690   18.841   8.2390 -0.9023113 11.46242 
1 1 1   19   20    7 o   24.512   7.2969   5.7969   3.0150   12.738   4.2596  -1.1715   4.2680   36.206   7.7319   16.097   7.3950 20.10938 10.69898 
1 1 1   19   20    8 o   14.479   6.3976   0.0536   2.8555  -1.3039   3.9430   1.5507   4.1408   15.287   7.0536   18.276   7.8954 -2.989169 10.58728 
1 1 1   19   20    9 o   31.830   6.2495   9.4349   3.0102   12.098   4.2610   6.7820   4.2531   34.431   8.0336   25.111   8.7712 9.320372 11.89420 
1 1 1   19   20   10 f   17.938   7.0100   2.6724   2.8577   3.6289   4.0290   1.7041   4.0538   20.180   8.1775   17.928   7.7783 2.252647 11.28597 
1 1 1   19   20   11 o   16.641   7.0665   1.6371   3.2137  -1.8785   4.1143   7.1394   5.1471   14.713   6.9248   24.417   9.4452 -9.704441 11.71172 
1 1 1   19   20   12 o   28.283   6.9893   8.1543   3.0841   8.3997   4.3849   7.9141   4.3386   26.466   8.9170   25.736   8.8660 0.7299767 12.57454 
1 1 1   19   20   13 o   15.198   6.6370   0.9566   2.9920   4.7735   4.2185  -2.9071   4.2443   20.914   8.4056   13.988   6.7097 6.925658 10.75514 
1 1 1   19   20   14 o   31.247   6.1762   9.5682   2.9212   6.5432   4.2608   12.251   4.0127   23.107   8.6754   33.501   7.7817 -10.39434 11.65413 
1 1 1   19   20   15 o   15.791   6.5880   1.8762   2.7161   0.1141   3.8316   3.6561   3.8509   15.226   6.9994   18.912   7.8636 -3.685658 10.52746 
1 1 1   19   20   16 o   11.452   5.4453  -1.7198   2.6686   0.6206   3.8557  -3.8719   3.6973   15.278   7.0226   12.033   5.8847 3.245266 9.162242 
1 1 1   19   20   17 o   11.626   5.6159  -2.2032   3.0993   2.7305   5.0398  -5.2040   3.9305   16.881   7.8531   11.434   5.6793 5.447181 9.691483 
1 1 1   19   20   18 o   11.665   5.5442  -0.9719   2.7606  -3.3123   3.9815   1.1948   3.8309   12.040   5.9316   14.588   6.8065 -2.548091 9.028406 
1 1 1   19   21    0 o   13.043   8.6224   0.0482   4.5881   0.0482   4.5881   0.0482   4.5881   13.043   8.6224   13.043   8.6224 0.000000 0.000000 
1 1 1   19   21    1 o   39.581   5.3766   13.695   3.2534   12.853   4.8345   14.392   4.3983   35.453   8.7446   38.843   7.4869 -3.389847 11.51185 
1 1 1   19   21    2 o   10.165   5.0246  -5.7294   2.9396  -7.4382   4.2181  -4.1158   4.0989   12.252   6.0491   13.722   6.5849 -1.470063 8.941624 
1 1 1   19   21    3 o   21.592   7.7197   4.3655   3.3099   5.4621   4.5256   3.1043   4.8533   23.570   8.9209   20.833   8.7566 2.737638 12.50045 
1 1 1   19   21    4 f   16.004   6.6206   1.3858   2.7102   4.7180   3.8200  -1.9913   3.8457   22.207   8.2389   14.584   6.8097 7.622909 10.68885 
1 1 1   19   21    5 o   23.003   7.0611   5.1312   2.7928   5.7422   3.9441   4.5167   3.9553   23.723   8.4328   21.811   8.3198 1.912424 11.84614 
1 1 1   19   21    6 o   28.551   6.4104   7.6979   2.8017   8.8760   3.9819   6.5428   3.9427   29.030   8.3152   24.883   8.4551 4.147278 11.85878 
1 1 1   19   21    7 o   12.777   5.9346  -1.4287   2.8606   1.2503   3.8444  -4.7523   4.2819   17.246   7.5274   13.424   6.5123 3.822312 9.953496 
1 1 1   19   21    8 o   25.872   6.6954   6.5869   2.7391   4.6515   3.8578   8.5545   3.8898   21.417   8.2050   28.047   8.2728 -6.630028 11.65171 
1 1 1   19   21    9 o   17.017   6.7553   2.3411   2.6909   7.1910   3.8498  -2.2918   3.7627   25.329   8.3510   13.770   6.5235 11.55904 10.59695 
1 1 1   19   21   10 o   31.411   5.9814   9.3962   2.8408   8.3252   4.1459   10.344   3.9002   26.624   8.6597   30.787   8.0006 -4.163010 11.78984 
1 1 1   19   21   11 o   15.302   6.5108   1.3292   2.7375   1.7915   3.9314   0.8940   3.8141   17.270   7.5730   16.240   7.2710 1.029526 10.49849 
1 1 1   19   21   12 o   22.284   6.9887   5.2622   2.7194   5.8222   3.8372   4.6970   3.8545   22.315   8.2613   20.623   8.1167 1.692221 11.58148 
1 1 1   19   21   13 o   16.377   6.7596   2.1642   2.8165   8.3918   3.9639  -4.1856   4.0026   26.201   8.4632   12.684   6.1854 13.51687 10.48265 
1 1 1   19   21   14 o   20.970   7.0937   4.8999   2.7750   4.2211   3.9373   5.5699   3.9117   19.366   7.9926   21.199   8.2249 -1.832817 11.46869 
1 1 1   19   21   15 o   11.161   5.3623  -2.1299   2.7363  -2.1953   3.9163  -2.0676   3.8246   13.140   6.3388   13.086   6.3007 0.5367851E-01 8.937510 
1 1 1   19   21   16 o   10.412   5.0301  -2.1166   2.4883  -3.0652   3.5216  -1.1709   3.5163   11.703   5.7276   12.828   6.1409 -1.124682 8.397375 
1 1 1   19   21   17 o   15.213   6.3526   2.5213   2.5288   0.9774   3.5502   4.1112   3.6028   14.091   6.5674   17.158   7.3882 -3.066567 9.885127 
1 1 1   19   22    0 o   46.633   6.1174   19.206   4.2633   19.206   4.2633   19.206   4.2633   46.633   6.1174   46.633   6.1174 0.000000 0.000000 
1 1 1   19   22    1 o   29.610   6.3937   8.3253   2.8839   7.4282   4.0656   9.2338   4.0913   26.079   8.5811   29.268   8.4428 -3.188358 12.03813 
1 1 1   19   22    2 o   26.353   6.7561   6.7895   2.8069   4.4010   3.8891   9.3865   4.0552   21.228   8.2106   29.547   8.3678 -8.318916 11.72324 
1 1 1   19   22    3 o   15.603   6.7824   0.8337   3.0941   0.8656   4.5585   0.8064   4.2134   17.680   7.9296   17.201   7.6757 0.4790859 11.03605 
1 1 1   19   22    4 o   15.997   6.6807   1.5216   2.7971   5.9387   4.0215  -2.6176   3.8930   23.373   8.4893   13.892   6.5969 9.481877 10.75110 
1 1 1   19   22    5 f   24.832   6.9613   6.2238   2.8214   4.5903   4.0474   7.7678   3.9351   21.223   8.3281   26.381   8.4238 -5.157839 11.84557 
1 1 1   19   22    6 o   15.834   6.7580   1.3320   2.9654   0.5685   4.1169   2.1553   4.2748   16.587   7.4792   18.286   7.9601 -1.699587 10.92257 
1 1 1   19   22    7 o   12.917   6.0745  -1.7376   3.1536  -1.4284   4.2689  -2.1091   4.6789   15.102   7.0909   15.248   7.2385 -0.1463289 10.13300 
1 1 1   19   22    8 o   15.766   6.7789   1.3545   3.0248  -3.7722   4.4432   5.7829   4.1295   13.841   6.6952   22.381   8.5098 -8.540497 10.82781 
1 1 1   19   22    9 o   22.160   7.5662   5.3945   3.1578   2.7103   4.4576   8.0988   4.4742   18.538   8.0980   25.357   8.9848 -6.819427 12.09563 
1 1 1   19   22   10 o   23.282   7.5989   6.0657   3.1910   6.2136   4.5340   5.9206   4.4918   22.405   8.8076   22.041   8.7347 0.3636665 12.40443 
1 1 1   19   22   11 o   12.415   5.8101  -1.2495   2.8263   1.0577   3.9150  -3.7608   4.0844   16.214   7.3038   13.034   6.3317 3.179677 9.666264 
1 1 1   19   22   12 o   15.019   6.4139   1.4489   2.6738   2.9549   3.8052  -0.0199   3.7580   17.862   7.6402   14.888   6.8755 2.973582 10.27841 
1 1 1   19   22   13 o   12.816   5.8342  -0.0282   2.5776  -1.5546   3.5889   1.5982   3.7046   13.202   6.2877   15.938   7.1483 -2.735765 9.520141 
1 1 1   19   22   14 o   12.439   5.7318  -0.1173   2.5913   0.4869   3.7179  -0.6880   3.6136   14.441   6.7270   13.443   6.3757 0.9977121 9.268358 
1 1 1   19   22   15 o   12.638   5.7810   0.3804   2.5704  -1.7014   3.6293   2.4754   3.6408   12.458   6.0323   15.639   7.0443 -3.180541 9.274195 
1 1 1   19   23    0 o   14.886   9.0586   2.8939   3.9644   2.8939   3.9644   2.8939   3.9644   14.886   9.0586   14.886   9.0586 0.000000 0.000000 
1 1 1   19   23    1 o   14.167   6.2799   0.3325   2.7730  -2.0190   3.8571   2.8481   3.9895   14.007   6.6267   18.629   7.8904 -4.621943 10.30401 
1 1 1   19   23    2 o   14.274   6.3255   0.3769   2.8116   1.3375   3.9943  -0.5665   3.9584   16.985   7.5325   15.240   7.0445 1.744650 10.31325 
1 1 1   19   23    3 o   11.768   5.6795  -3.2529   3.1531  -4.7082   4.6695  -2.0332   4.2750   13.729   6.6922   14.622   6.9348 -0.8924713 9.637211 
1 1 1   19   23    4 o   15.267   6.6510   1.0160   2.9893   2.1730   4.2352  -0.1325   4.2198   17.941   7.8639   15.864   7.3116 2.076884 10.73783 
1 1 1   19   23    5 o   13.156   6.1260  -1.1344   3.0783  -4.7212   4.2350   2.8835   4.4822   12.943   6.3229   18.751   8.1569 -5.808158 10.32054 
1 1 1   19   23    6 o   13.865   6.3178  -0.2315   3.0319   2.1596   4.1928  -2.8523   4.3895   17.727   7.7955   14.143   6.7942 3.583340 10.34074 
1 1 1   19   23    7 o   17.306   7.1734   2.5465   3.1903   2.5606   4.3115   2.5293   4.7429   18.121   7.9388   18.371   8.1742 -0.2504387 11.39480 
1 1 1   19   23    8 o   16.684   6.8708   2.3210   2.9013  -0.2525   4.0649   4.9933   4.1422   15.299   7.0952   20.751   8.3329 -5.451473 10.94438 
1 1 1   19   23    9 o   13.294   6.1621  -0.7092   3.0599  -0.3185   4.3586  -1.0890   4.2969   15.498   7.2406   14.886   7.0281 0.6112337 10.09058 
1 1 1   19   23   10 o   17.691   7.1634   3.1227   3.0891   0.8157   4.3763   5.4135   4.3609   16.175   7.4518   20.725   8.4667 -4.549423 11.27896 
1 1 1   19   23   11 o   12.211   5.8103  -1.6608   3.0507   3.3283   4.3719  -6.3954   4.2590   17.959   7.9266   11.758   5.8520 6.201862 9.852729 
1 1 1   19   23   12 o   13.962   6.3476   0.7188   3.0392  -0.1570   4.3425   1.5596   4.2551   14.636   6.9551   15.771   7.2949 -1.135815 10.07919 
1 1 1   19   23   13 o   12.624   5.9662  -0.5347   3.1115  -3.2614   4.2263   2.6923   4.5977   12.461   6.1335   16.219   7.5301 -3.758871 9.711959 
1 1 1   19   23   14 o   13.255   6.2171   0.3680   3.2669   0.1043   4.6509   0.6248   4.5898   14.188   6.8600   14.435   6.9378 -0.2471600 9.756642 
1 1 1   19   24    0 o   20.604   10.875   7.0055   4.6887   7.0055   4.6887   7.0055   4.6887   20.604   10.875   20.604   10.875 0.000000 0.000000 
1 1 1   19   24    1 o   22.882   7.4609   5.8445   3.0765   5.5020   4.4188   6.1667   4.2859   21.383   8.5997   22.324   8.6234 -0.9414902 12.17857 
1 1 1   19   24    2 o   17.678   7.0901   2.9320   2.9947   1.1352   4.2611   4.6858   4.2098   16.671   7.5543   20.363   8.3188 -3.692219 11.23696 
1 1 1   19   24    3 o   16.961   6.9892   2.4660   3.0046   1.0978   4.2037   3.8952   4.2962   16.552   7.5015   19.393   8.1998 -2.841217 11.11351 
1 1 1   19   24    4 o   12.386   5.7706  -1.0554   2.7372  -5.5360   3.8267   3.6391   3.9170   11.679   5.7655   18.938   7.9069 -7.258401 9.785707 
1 1 1   19   24    5 o   16.241   6.6839   2.1809   2.7432   1.4161   3.8440   2.9745   3.9158   16.383   7.3198   18.076   7.7416 -1.692837 10.65422 
1 1 1   19   24    6 o   12.703   5.8472  -0.5395   2.6863   0.8804   3.7871  -1.9774   3.8110   15.732   7.1260   13.534   6.4552 2.198153 9.615125 
1 1 1   19   24    7 o   13.282   6.2203  -0.9597   3.2492   0.7463   4.8973  -2.3013   4.3428   16.557   7.7154   14.018   6.7403 2.538621 10.24497 
1 1 1   19   24    8 o   18.129   6.8691   3.5457   2.6850   5.3834   3.7813   1.6770   3.8131   20.608   8.0606   16.183   7.2557 4.425726 10.84523 
1 1 1   19   24    9 o   13.590   6.0952   0.6256   2.6935   0.3404   3.8517   0.8985   3.7679   14.748   6.8625   15.121   6.9473 -0.3725805 9.765124 
1 1 1   19   24   10 o   14.085   6.1997   1.3096   2.6575   4.9804   3.8780  -1.9402   3.6489   18.896   7.8769   12.613   6.0932 6.282750 9.958505 
1 1 1   19   24   11 o   18.999   6.9653   4.6737   2.7166   8.0036   3.8988   1.5316   3.7872   22.414   8.3218   14.898   6.8877 7.516042 10.80250 
1 1 1   19   24   12 o   15.908   6.5382   3.0624   2.6204   3.1522   3.7265   2.9745   3.6855   15.935   7.1565   15.762   7.0946 0.1733389 10.07718 
1 1 1   19   25    0 o   15.531   9.2553   3.8148   3.9672   3.8148   3.9672   3.8148   3.9672   15.531   9.2553   15.531   9.2553 0.000000 0.000000 
1 1 1   19   25    1 o   14.822   6.4110   1.3432   2.7369   5.7839   3.8977  -2.9754   3.8439   21.290   8.2238   12.833   6.2124 8.457520 10.30651 
1 1 1   19   25    2 o   19.127   7.0718   4.0699   2.8101   10.040   3.9826  -1.8500   3.9657   28.211   8.3836   13.673   6.5388 14.53805 10.63208 
1 1 1   19   25    3 o   10.228   5.0011  -3.4412   2.6661  -2.9273   3.7714  -3.9546   3.7695   12.684   6.1434   12.118   5.9296 0.5654812 8.538218 
1 1 1   19   25    4 o   11.732   5.5414  -1.3505   2.6768  -2.0318   3.7976  -0.6778   3.7736   13.193   6.3330   14.076   6.6273 -0.8830585 9.166698 
1 1 1   19   25    5 o   13.417   6.0558   0.4207   2.7063  -1.5319   3.8057   2.4183   3.8492   13.406   6.4098   16.652   7.3892 -3.245932 9.781936 
1 1 1   19   25    6 o   13.276   6.0665   0.2654   2.8211  -0.7280   3.8854   1.3731   4.1028   13.861   6.5848   15.619   7.2025 -1.757470 9.758878 
1 1 1   19   25    7 o   17.646   7.7590   4.0018   4.1524   6.2665   5.6908   1.4231   6.0726   19.181   8.7069   16.331   7.8820 2.849821 11.74464 
1 1 1   19   25    8 o   11.862   5.6293  -0.9284   2.8252  -0.3387   4.0545  -1.4851   3.9390   13.803   6.6039   13.000   6.2923 0.8027792 9.121684 
1 1 1   19   25    9 o   20.889   7.2801   6.0435   2.9290   5.8081   4.1962   6.2671   4.0904   18.612   7.9933   19.241   8.0601 -0.6285896 11.35158 
1 1 1   19   25   10 o   12.181   5.7384  -0.1865   2.8373  -4.2940   3.9615   4.1397   4.0657   11.332   5.6409   16.633   7.4720 -5.300303 9.362168 
1 1 1   19   26    0 o   20.063   10.164   7.1151   3.9841   7.1151   3.9841   7.1151   3.9841   20.063   10.164   20.063   10.164 0.000000 0.000000 
1 1 1   19   26    1 o   23.610   7.1035   6.9518   2.8458   8.5758   3.9985   5.2848   4.0511   23.435   8.4714   18.824   7.9610 4.610479 11.62512 
1 1 1   19   26    2 o   12.396   5.7796  -0.2221   2.7544   2.0479   3.8740  -2.5426   3.9169   15.493   7.0908   12.452   6.0825 3.041409 9.342171 
1 1 1   19   26    3 o   12.114   5.6899  -0.4719   2.7523  -4.3202   3.8874   3.3963   3.8974   11.511   5.7054   16.625   7.4028 -5.114499 9.346250 
1 1 1   19   26    4 o   13.598   6.1037   1.1558   2.7068   2.5097   3.8565  -0.1588   3.8000   15.647   7.1279   13.557   6.4606 2.089570 9.620062 
1 1 1   19   26    5 f   10.637   5.1594  -2.0681   2.6844  -5.0012   3.7256   1.0986   3.8711   10.852   5.4129   14.361   6.7461 -3.508667 8.649220 
1 1 1   19   26    6 o   13.919   6.1666   1.6644   2.6701   3.3965   3.7719  -0.0754   3.7802   16.068   7.2094   13.323   6.3747 2.745309 9.623518 
1 1 1   19   26    7 o   12.028   5.8206  -1.2514   3.3662  -4.1874   4.3685   3.0398   5.2814   11.792   5.8785   15.654   7.5023 -3.861842 9.531030 
1 1 1   19   27    0 o   15.843   9.7259   5.8385   4.6605   5.8385   4.6605   5.8385   4.6605   15.843   9.7259   15.843   9.7259 0.000000 0.000000 
1 1 1   19   27    1 o   20.350   7.6319   6.6776   3.2955   5.1565   4.5759   8.3167   4.7500   16.941   7.7354   19.608   8.4634 -2.666664 11.46587 
1 1 1   19   27    2 o   14.703   6.8200   2.2802   3.7584  -2.1188   5.4686   6.2182   5.1741   13.315   6.6280   17.368   8.0373 -4.052677 10.41766 
1 1 1   20    0    0 o  185.063   3.2070  269.276   9.3076  269.276   9.3076  269.276   9.3076  185.063   3.2070  185.063   3.2070 0.000000 0.000000 
1 1 1   20    0    1 o  164.829   2.2481  213.536   5.8125  213.536   5.8125  213.536   5.8125  164.829   2.2481  164.829   2.2481 0.000000 0.000000 
1 1 1   20    0    2 o   70.352   3.1138   39.147   3.4223   39.147   3.4223   39.147   3.4223   70.352   3.1138   70.352   3.1138 0.000000 0.000000 
1 1 1   20    0    3 o  217.743   2.2528  372.571   7.6959  372.571   7.6959  372.571   7.6959  217.743   2.2528  217.743   2.2528 0.000000 0.000000 
1 1 1   20    0    4 o   47.602   4.1747   18.257   3.0610   18.257   3.0610   18.257   3.0610   47.602   4.1747   47.602   4.1747 0.000000 0.000000 
1 1 1   20    0    5 o   60.801   4.1561   29.533   3.9223   29.533   3.9223   29.533   3.9223   60.801   4.1561   60.801   4.1561 0.000000 0.000000 
1 1 1   20    0    6 o  123.550   2.3815  120.083   4.6136  120.083   4.6136  120.083   4.6136  123.550   2.3815  123.550   2.3815 0.000000 0.000000 
1 1 1   20    0    7 o   73.810   3.0909   43.084   3.5659   43.084   3.5659   43.084   3.5659   73.810   3.0909   73.810   3.0909 0.000000 0.000000 
1 1 1   20    0    8 o  132.470   2.4055  138.071   4.9971  138.071   4.9971  138.071   4.9971  132.470   2.4055  132.470   2.4055 0.000000 0.000000 
1 1 1   20    0    9 o   80.785   3.0213   51.579   3.8181   51.579   3.8181   51.579   3.8181   80.785   3.0213   80.785   3.0213 0.000000 0.000000 
1 1 1   20    0   10 o   20.845   9.7985   5.1466   3.6019   5.1466   3.6019   5.1466   3.6019   20.845   9.7985   20.845   9.7985 0.000000 0.000000 
1 1 1   20    0   11 o   68.587   3.9375   37.513   4.2058   37.513   4.2058   37.513   4.2058   68.587   3.9375   68.587   3.9375 0.000000 0.000000 
1 1 1   20    0   12 o   14.702   8.6847   2.0670   3.4374   2.0670   3.4374   2.0670   3.4374   14.702   8.6847   14.702   8.6847 0.000000 0.000000 
1 1 1   20    0   13 o   79.075   3.6074   49.707   4.4552   49.707   4.4552   49.707   4.4552   79.075   3.6074   79.075   3.6074 0.000000 0.000000 
1 1 1   20    0   14 o   32.448   8.6269   10.099   3.7954   10.099   3.7954   10.099   3.7954   32.448   8.6269   32.448   8.6269 0.000000 0.000000 
1 1 1   20    0   15 o   14.757   8.5328   2.3140   3.2030   2.3140   3.2030   2.3140   3.2030   14.757   8.5328   14.757   8.5328 0.000000 0.000000 
1 1 1   20    0   16 o   75.687   3.2999   45.568   3.9024   45.568   3.9024   45.568   3.9024   75.687   3.2999   75.687   3.2999 0.000000 0.000000 
1 1 1   20    0   17 o   78.050   3.1777   48.436   3.8774   48.436   3.8774   48.436   3.8774   78.050   3.1777   78.050   3.1777 0.000000 0.000000 
1 1 1   20    0   18 o   12.551   7.7479   1.1727   2.9963   1.1727   2.9963   1.1727   2.9963   12.551   7.7479   12.551   7.7479 0.000000 0.000000 
1 1 1   20    0   19 o   15.815   8.7329   3.0587   3.1570   3.0587   3.1570   3.0587   3.1570   15.815   8.7329   15.815   8.7329 0.000000 0.000000 
1 1 1   20    0   20 o   49.601   4.4640   20.309   3.4069   20.309   3.4069   20.309   3.4069   49.601   4.4640   49.601   4.4640 0.000000 0.000000 
1 1 1   20    0   21 o   10.121   6.8246  -0.8868   3.1342  -0.8868   3.1342  -0.8868   3.1342   10.121   6.8246   10.121   6.8246 0.000000 0.000000 
1 1 1   20    0   22 o   7.9345   5.6687  -4.1883   3.1943  -4.1883   3.1943  -4.1883   3.1943   7.9345   5.6687   7.9345   5.6687 0.000000 0.000000 
1 1 1   20    0   23 o   13.367   8.3639   1.7542   3.6117   1.7542   3.6117   1.7542   3.6117   13.367   8.3639   13.367   8.3639 0.000000 0.000000 
1 1 1   20    0   24 o   15.376   8.9785   3.2930   3.6024   3.2930   3.6024   3.2930   3.6024   15.376   8.9785   15.376   8.9785 0.000000 0.000000 
1 1 1   20    0   25 o   13.826   8.4954   2.5662   3.5636   2.5662   3.5636   2.5662   3.5636   13.826   8.4954   13.826   8.4954 0.000000 0.000000 
1 1 1   20    0   26 o   9.8028   6.6806  -0.5104   3.1676  -0.5104   3.1676  -0.5104   3.1676   9.8028   6.6806   9.8028   6.6806 0.000000 0.000000 
1 1 1   20    1    0 o   32.038   6.5463   9.0516   2.9105   9.0516   2.9105   9.0516   2.9105   32.038   6.5463   32.038   6.5463 0.000000 0.000000 
1 1 1   20    1    1 o   58.402   2.5080   26.887   2.2932   26.458   3.2285   27.324   3.2579   57.795   3.5771   58.740   3.5508 -0.9454384 5.040204 
1 1 1   20    1    2 o   87.120   1.9576   59.657   2.6764   61.474   3.7624   57.795   3.8080   88.325   2.7176   85.622   2.8380 2.703255 3.929340 
1 1 1   20    1    3 o  116.054   1.7442  105.830   3.1766  104.195   4.4697  107.499   4.5154  115.072   2.4752  116.885   2.4617 -1.812119 3.490879 
1 1 1   20    1    4 o  122.877   1.6939  118.635   3.2663  117.817   4.6111  119.459   4.6274  122.369   2.4012  123.219   2.3931 -0.8507156 3.390046 
1 1 1   20    1    5 o   43.127   3.4361   14.771   2.3063   14.920   3.0744   14.579   3.4880   43.141   4.6126   42.484   5.3500 0.6565247 7.063885 
1 1 1   20    1    6 o   90.250   1.9420   64.037   2.7504   64.469   3.8714   63.596   3.9083   90.427   2.7312   89.805   2.7765 0.6221771 3.894724 
1 1 1   20    1    7 o  105.476   1.8132   87.454   3.0012   88.519   4.2460   86.391   4.2427  106.020   2.5520  104.733   2.5814 1.286766 3.629923 
1 1 1   20    1    8 o  158.708   1.6225  197.957   4.0411  198.032   5.7218  197.883   5.7082  158.609   2.2988  158.551   2.2942 0.5863953E-01 3.247699 
1 1 1   20    1    9 o   98.396   1.8828   76.151   2.9074   75.211   4.1041   77.098   4.1193   97.631   2.6812   98.853   2.6578 -1.222458 3.775254 
1 1 1   20    1   10 o   90.897   2.4376   65.167   3.4739   67.501   4.7510   62.485   5.0925   92.318   3.2846   88.715   3.6658 3.602661 4.922075 
1 1 1   20    1   11 o   80.693   2.4776   51.406   3.1337   51.818   4.4416   50.997   4.4220   80.768   3.5126   80.121   3.5256 0.6466522 4.976746 
1 1 1   20    1   12 o   69.086   2.7191   37.773   2.9422   36.049   4.1657   39.488   4.1560   67.164   3.9700   70.363   3.7776 -3.199478 5.480080 
1 1 1   20    1   13 o   58.912   3.0685   27.580   2.8271   27.001   4.0100   28.152   3.9862   57.889   4.4482   59.159   4.3236 -1.269924 6.203200 
1 1 1   20    1   14 o   94.572   2.3156   70.632   3.4366   74.847   4.9342   66.661   4.7893   97.002   3.2459   91.500   3.3410 5.501816 4.658144 
1 1 1   20    1   15 o   70.766   2.3889   39.639   2.6491   43.877   3.7892   35.588   3.7051   74.182   3.2629   66.693   3.5529 7.488342 4.823860 
1 1 1   20    1   16 o   13.416   5.7599   0.0435   2.1777  -1.0706   3.0318   1.2309   3.1299   14.362   6.4521   17.464   7.1582 -3.102653 9.636889 
1 1 1   20    1   17 o   14.361   5.9707   0.5971   2.2197   5.3824   3.0873  -4.5228   3.1935   24.788   7.3851   11.859   5.7218 12.92879 9.342325 
1 1 1   20    1   18 o   38.611   3.8574   12.145   2.3061   9.3854   3.2911   14.808   3.2323   32.731   6.6346   42.185   4.9783 -9.453968 8.294714 
1 1 1   20    1   19 o   12.099   5.4660  -0.8791   2.2110  -4.4172   3.0675   2.9469   3.1899   11.468   5.5511   19.846   7.4944 -8.378157 9.326386 
1 1 1   20    1   20 o   16.322   6.2335   1.8758   2.2220  -1.0022   3.1199   4.8381   3.1653   14.202   6.4467   22.898   7.5732 -8.696715 9.945504 
1 1 1   20    1   21 o   39.206   3.9356   12.838   2.3887   13.214   3.2330   12.385   3.5447   38.747   5.4689   36.818   6.3653 1.929161 8.391960 
1 1 1   20    1   22 o   22.101   6.4291   4.6649   2.3633   5.4165   3.3042   3.8777   3.3817   23.121   7.7401   20.405   7.7140 2.715876 10.92769 
1 1 1   20    1   23 o   14.525   6.1300   0.9860   2.3936   2.1331   3.5634   0.0427   3.2312   17.757   7.4859   14.885   6.6760 2.872634 10.03034 
1 1 1   20    1   24 o   19.345   6.6815   3.6816   2.4646  -3.0483   3.4359   10.814   3.5372   12.547   6.0232   32.612   7.1123 -20.06537 9.320089 
1 1 1   20    1   25 o   14.807   6.1282   1.6176   2.3234   5.8881   3.4149  -2.0633   3.1704   22.130   7.8487   12.323   5.8805 9.807145 9.807207 
1 1 1   20    1   26 o   14.610   6.0438   1.8285   2.2584   2.7426   3.1841   0.9031   3.2038   16.477   7.0167   14.414   6.5391 2.063036 9.591374 
1 1 1   20    2    0 o   97.250   2.6553   74.491   4.0456   74.491   4.0456   74.491   4.0456   97.250   2.6553   97.250   2.6553 0.000000 0.000000 
1 1 1   20    2    1 o  124.016   1.6954  120.836   3.2995  124.261   4.6840  117.462   4.6488  125.683   2.3748  122.189   2.4244 3.493645 3.393705 
1 1 1   20    2    2 o   86.530   2.0947   58.868   2.8444   58.634   4.1629   59.073   3.8954   86.202   3.0823   86.557   2.8718 -0.3547745 4.212782 
1 1 1   20    2    3 o  233.654   1.6105  428.894   5.9054  429.316   8.3618  428.474   8.3412  233.626   2.2807  233.398   2.2773 0.2281647 3.223036 
1 1 1   20    2    4 o  175.887   1.5956  243.040   4.4041  244.876   6.2489  241.229   6.2080  176.441   2.2568  175.122   2.2589 1.319244 3.193108 
1 1 1   20    2    5 o  140.309   1.9068  154.755   4.1985  153.701   5.9111  155.828   5.9645  139.702   2.6963  140.665   2.7020 -0.9623260 3.817129 
1 1 1   20    2    6 o   97.861   1.8770   75.285   2.8827   78.791   4.1045   71.873   4.0494   99.992   2.6180   95.484   2.7052 4.508102 3.764523 
1 1 1   20    2    7 o  153.545   1.6283  185.269   3.9236  187.479   5.5644  183.085   5.5333  154.342   2.2974  152.519   2.3118 1.822449 3.259185 
1 1 1   20    2    8 o  100.804   1.9007   79.911   3.0068   83.913   4.3034   76.094   4.2029  103.152   2.6606   98.212   2.7296 4.939606 3.811794 
1 1 1   20    2    9 o  190.689   1.6236  285.838   4.8587  287.139   6.8607  284.528   6.8818  190.951   2.2895  190.075   2.3071 0.8756409 3.250323 
1 1 1   20    2   10 o   24.803   6.4138   5.1637   2.5149   2.7350   3.5378   7.6447   3.5757   20.875   7.8904   29.990   7.5918 -9.114891 10.94961 
1 1 1   20    2   11 o  146.031   1.9623  167.886   4.4969  167.648   6.3669  168.123   6.3524  145.682   2.7849  145.892   2.7746 -0.2098694 3.931172 
1 1 1   20    2   12 o  150.612   1.9432  178.646   4.5930  170.954   6.4256  186.682   6.5676  147.049   2.7845  153.690   2.7230 -6.640961 3.894639 
1 1 1   20    2   13 o   76.758   2.5856   46.619   3.1100   49.068   4.4395   44.260   4.3582   78.441   3.6162   74.447   3.7424 3.993568 5.204072 
1 1 1   20    2   14 o   88.377   2.2403   61.700   3.1046   61.449   4.3967   61.949   4.3844   87.894   3.1929   88.260   3.1707 -0.3661270 4.499733 
1 1 1   20    2   15 o   54.822   2.8948   23.916   2.4816   21.243   3.4934   26.639   3.5260   51.191   4.3910   57.539   3.9284 -6.348820 5.891825 
1 1 1   20    2   16 o   27.349   5.4651   6.3268   2.2634   10.457   3.2357   2.3695   3.1673   35.104   6.0945   19.270   7.4212 15.83410 9.603007 
1 1 1   20    2   17 o   48.688   3.2051   19.002   2.4352   19.799   3.4385   18.199   3.4494   49.208   4.5025   47.063   4.7347 2.145363 6.533777 
1 1 1   20    2   18 o   28.213   5.4432   6.7980   2.3226   8.0533   3.2045   5.4085   3.3713   30.125   6.9237   24.665   7.7878 5.459435 10.42050 
1 1 1   20    2   19 o   25.109   6.1431   5.5731   2.4004   7.2945   3.1837   3.3053   3.6541   28.327   7.1595   20.913   7.9921 7.414131 10.72997 
1 1 1   20    2   20 o   17.781   6.3212   2.5888   2.2162   4.8661   3.1570   0.3760   3.1120   22.920   7.5626   15.687   6.8105 7.233223 10.17724 
1 1 1   20    2   21 o   18.218   6.3892   2.8793   2.2582   2.0825   3.0652   3.8250   3.3394   17.639   7.1381   20.667   7.6963 -3.028364 10.49696 
1 1 1   20    2   22 o   18.825   6.5106   3.2521   2.3404   5.2313   3.2776   1.1932   3.3430   22.750   7.7092   16.541   7.1196 6.208849 10.49389 
1 1 1   20    2   23 o   27.785   5.6171   7.1381   2.3649   9.3765   3.3620   4.9458   3.3272   30.585   7.1358   21.889   7.7488 8.695986 10.53390 
1 1 1   20    2   24 o   11.315   5.2660  -1.2289   2.2700  -1.8071   3.2074  -0.6486   3.2132   12.962   6.1050   13.966   6.4161 -1.003363 8.856461 
1 1 1   20    2   25 o   12.349   5.5577  -0.0150   2.2608  -2.2804   3.4622   1.6689   2.9850   12.675   6.0744   15.589   6.7189 -2.914248 9.057674 
1 1 1   20    2   26 o   11.016   5.1956  -1.1443   2.3380  -1.7838   3.3594  -0.5435   3.2558   12.419   5.9602   13.169   6.1863 -0.7498198 8.590393 
1 1 1   20    3    0 o  111.848   2.5525   98.461   4.4750   98.461   4.4750   98.461   4.4750  111.848   2.5525  111.848   2.5525 0.000000 0.000000 
1 1 1   20    3    1 o  139.603   1.6566  153.114   3.6292  155.861   5.1558  150.416   5.1095  140.761   2.3340  138.277   2.3546 2.483902 3.315379 
1 1 1   20    3    2 o  155.527   1.6368  190.035   3.9949  188.812   5.6464  191.260   5.6527  154.927   2.3224  155.930   2.3101 -1.002777 3.275666 
1 1 1   20    3    3 o   99.441   1.8945   77.724   2.9564   76.219   4.1455   79.282   4.2173   98.351   2.6884  100.310   2.6814 -1.959267 3.797081 
1 1 1   20    3    4 o  160.624   1.6275  202.706   4.1024  206.871   5.8600  198.702   5.7451  162.159   2.3028  158.925   2.3035 3.234192 3.257160 
1 1 1   20    3    5 o   45.151   3.4037   16.181   2.3940   13.607   3.5739   18.276   3.2242   40.924   5.7210   47.839   4.3420 -6.914703 7.182123 
1 1 1   20    3    6 o   62.970   2.4313   31.260   2.3981   31.631   3.3916   30.889   3.3914   63.197   3.4327   62.443   3.4746 0.7542992 4.884230 
1 1 1   20    3    7 o  109.423   1.8184   94.133   3.1225   92.046   4.3916   96.267   4.4405  108.096   2.5889  110.551   2.5595 -2.455368 3.640528 
1 1 1   20    3    8 o  267.718   1.6775  563.404   7.0477  563.247   9.9649  563.562   9.9689  267.437   2.3743  267.512   2.3746 -0.7479858E-01 3.358037 
1 1 1   20    3    9 o   92.089   2.1414   66.758   3.0946   65.824   4.3613   67.706   4.3916   91.239   3.0503   92.541   3.0281 -1.301811 4.298113 
1 1 1   20    3   10 o  185.451   1.9712  270.689   5.7368  271.828   7.8038  269.350   8.4622  185.600   2.6793  184.654   2.9202 0.9459381 3.963120 
1 1 1   20    3   11 o  137.593   1.9861  149.073   4.2884  152.519   6.1062  145.718   6.0241  138.934   2.8006  135.792   2.8269 3.142029 3.979298 
1 1 1   20    3   12 o   73.041   2.6896   42.221   3.0777   43.054   4.3733   41.403   4.3319   73.449   3.8072   72.010   3.8474 1.439072 5.412688 
1 1 1   20    3   13 o   67.257   2.6525   35.827   2.7942   33.662   3.9270   38.047   3.9766   64.847   3.8766   69.018   3.6848 -4.171661 5.348463 
1 1 1   20    3   14 o   29.103   5.6089   7.1152   2.4688   10.043   3.5168   4.2708   3.4667   34.288   6.7762   23.081   7.9261 11.20702 10.42786 
1 1 1   20    3   15 o   53.499   2.9973   22.806   2.5064   22.146   3.5474   23.463   3.5417   52.274   4.3641   53.869   4.2232 -1.594452 6.072978 
1 1 1   20    3   16 o   62.549   2.6357   31.083   2.5814   28.778   3.6147   33.482   3.6877   59.751   3.8758   64.560   3.6548 -4.809250 5.327255 
1 1 1   20    3   17 o   23.930   6.0780   4.9560   2.2865   7.4669   3.2450   2.4800   3.2224   29.049   7.1639   19.422   7.4839 9.627394 10.36004 
1 1 1   20    3   18 o   68.583   2.4669   37.406   2.6507   35.803   3.7736   38.968   3.7242   66.582   3.6252   69.577   3.4213 -2.995049 4.984716 
1 1 1   20    3   19 o   16.062   6.5036   1.3080   2.5461   3.6828   3.5910  -1.0926   3.6104   21.400   7.9787   15.392   6.9664 6.007801 10.59200 
1 1 1   20    3   20 f   15.349   6.1170   1.3929   2.2147   1.7686   3.1091   1.0058   3.1557   17.498   7.1488   16.526   7.0093 0.9722500 10.01179 
1 1 1   20    3   21 o   17.839   6.4191   2.7078   2.2926   0.4634   3.1214   5.3367   3.3782   15.525   6.7794   23.295   7.8267 -7.769820 10.35453 
1 1 1   20    3   22 f   11.169   5.2345  -1.6504   2.3073   3.0429   3.3065  -6.1050   3.2213   18.976   7.5024   10.538   5.2182 8.438068 9.138700 
1 1 1   20    3   23 o   22.103   6.4589   4.7815   2.3805   3.4546   3.3043   6.2133   3.4324   19.350   7.5448   24.124   7.8817 -4.773407 10.91075 
1 1 1   20    3   24 o   9.9695   4.8129  -2.7191   2.2678  -3.3956   3.1937  -2.0311   3.2207   11.773   5.6905   12.785   6.0503 -1.011494 8.305882 
1 1 1   20    3   25 o   12.520   5.5732   0.2440   2.2071   1.1398   3.3826  -0.4200   2.9125   15.332   6.8571   13.117   6.0558 2.215398 9.148400 
1 1 1   20    3   26 o   18.509   6.5410   3.9162   2.3700   3.1169   3.5099   4.5861   3.2131   16.942   7.2937   19.013   7.4322 -2.070877 10.41327 
1 1 1   20    4    0 o  158.254   2.3172  196.888   5.7519  196.888   5.7519  196.888   5.7519  158.254   2.3172  158.254   2.3172 0.000000 0.000000 
1 1 1   20    4    1 o  123.210   1.7318  119.287   3.3484  120.993   4.7610  117.617   4.7102  123.999   2.4466  122.256   2.4551 1.743164 3.466043 
1 1 1   20    4    2 o   86.812   2.0152   59.250   2.7454   59.970   3.8590   58.513   3.9067   87.209   2.8234   86.132   2.8944 1.077400 4.043427 
1 1 1   20    4    3 o  112.459   1.8128   99.397   3.1993   99.296   4.5560   99.496   4.4935  112.307   2.5851  112.425   2.5469 -0.1180954 3.628977 
1 1 1   20    4    4 o  274.574   1.6848  592.417   7.2598  589.929   10.258  594.914   10.276  273.795   2.3874  274.952   2.3816 -1.156342 3.372157 
1 1 1   20    4    5 o   83.400   2.1701   54.751   2.8378   60.895   4.2240   49.697   3.8313   87.821   3.0696   79.323   3.0837 8.497955 4.351058 
1 1 1   20    4    6 o  236.429   1.6417  439.284   6.0911  433.594   8.5528  445.140   8.6769  234.712   2.3220  237.816   2.3250 -3.103653 3.285909 
1 1 1   20    4    7 o  150.051   1.6684  176.971   3.9286  176.947   5.5562  176.994   5.5556  149.913   2.3617  149.933   2.3612 -0.1995850E-01 3.339597 
1 1 1   20    4    8 o   54.876   3.0272   23.846   2.5968   25.194   3.6679   22.491   3.6771   56.182   4.1904   53.003   4.4621 3.179012 6.121278 
1 1 1   20    4    9 o  151.613   1.9275  180.863   4.5860  176.903   6.4143  185.004   6.5593  149.736   2.7297  153.126   2.7296 -3.390228 3.860302 
1 1 1   20    4   10 o   89.745   2.4492   63.556   3.4462   62.901   4.6609   64.347   5.1184   89.064   3.3407   89.998   3.6315 -0.9340668 4.934356 
1 1 1   20    4   11 o  159.605   1.9358  200.574   4.8485  200.872   6.7934  200.266   6.9221  159.456   2.7148  159.193   2.7708 0.2630768 3.879125 
1 1 1   20    4   12 o  121.022   1.9379  115.371   3.6804  117.670   5.2152  113.091   5.1946  121.991   2.7242  119.579   2.7682 2.411781 3.883812 
1 1 1   20    4   13 o   44.790   3.6544   16.085   2.5464   17.107   3.6317   15.096   3.5712   45.737   5.1492   42.832   5.4353 2.905560 7.487060 
1 1 1   20    4   14 o   68.558   2.4525   37.212   2.6344   33.309   3.6859   41.288   3.7665   64.503   3.6563   71.949   3.3451 -7.445335 4.955602 
1 1 1   20    4   15 o   20.636   6.2921   3.5696   2.2224   4.8119   3.1788   2.3818   3.1084   23.810   7.5676   19.251   7.3676 4.559416 10.56171 
1 1 1   20    4   16 o  101.457   1.9726   81.269   3.1406   83.354   4.4518   79.202   4.4314  102.408   2.7726   99.795   2.8325 2.612617 3.963633 
1 1 1   20    4   17 o   31.415   4.9041   8.2411   2.3387   9.3148   3.2738   7.1220   3.3422   32.719   6.6038   28.245   7.4387 4.474514 9.947060 
1 1 1   20    4   18 o   32.156   4.7358   8.6435   2.3183   5.7158   3.1977   11.887   3.3660   25.209   7.5172   37.209   5.9659 -11.99982 9.596941 
1 1 1   20    4   19 o   27.193   6.3799   6.6124   2.6753   9.1066   3.7082   3.9047   3.8635   31.309   7.6201   21.895   8.2524 9.414347 11.23247 
1 1 1   20    4   20 o   33.568   4.5193   9.5504   2.3202   11.859   3.3389   7.3948   3.2266   36.480   6.0437   27.900   7.2901 8.579924 9.469553 
1 1 1   20    4   21 o   9.8866   4.7621  -2.8005   2.1902  -3.5501   3.0984  -2.0520   3.0963   11.803   5.6797   12.924   6.0588 -1.120852 8.304744 
1 1 1   20    4   22 o   18.539   6.4245   3.1595   2.2794   4.0475   3.1009   2.1157   3.3620   20.486   7.4524   17.658   7.3453 2.827909 10.46383 
1 1 1   20    4   23 o   17.055   6.4860   2.4868   2.3993  -0.4610   3.4281   5.3170   3.3591   14.680   6.7003   22.459   7.7981 -7.778960 10.28123 
1 1 1   20    4   24 o   31.439   5.4303   9.2002   2.5824   7.8425   3.6116   10.620   3.6938   26.334   8.0193   31.540   7.5612 -5.205585 11.02186 
1 1 1   20    4   25 o   12.786   5.7024   0.3255   2.3219  -1.7373   3.3958   2.1366   3.1820   12.800   6.1018   16.156   6.9498 -3.355737 9.248317 
1 1 1   20    5    0 o  258.593   2.3454  525.551   9.5161  525.551   9.5161  525.551   9.5161  258.593   2.3454  258.593   2.3454 0.000000 0.000000 
1 1 1   20    5    1 o  140.468   1.6646  155.038   3.6695  151.215   5.1367  159.022   5.2438  138.628   2.3611  142.163   2.3504 -3.535248 3.331611 
1 1 1   20    5    2 o  105.703   1.8393   87.821   3.0511   88.465   4.3352   87.189   4.2949  105.998   2.6062  105.231   2.6008 0.7667160 3.681875 
1 1 1   20    5    3 o  141.696   1.6651  157.767   3.7025  164.414   5.2912  151.390   5.1828  144.549   2.3325  138.698   2.3811 5.851578 3.333254 
1 1 1   20    5    4 o  150.252   1.6686  177.407   3.9345  177.256   5.5762  177.556   5.5522  150.075   2.3677  150.204   2.3555 -0.1295776 3.339784 
1 1 1   20    5    5 o  176.561   1.6289  244.975   4.5132  243.947   6.3822  246.004   6.3830  176.057   2.3100  176.800   2.3006 -0.7428131 3.260188 
1 1 1   20    5    6 o   52.587   3.0894   21.898   2.5383   18.606   3.5087   25.511   3.6765   48.156   4.7028   56.575   4.1703 -8.419449 6.285556 
1 1 1   20    5    7 o  270.538   1.8831  575.627   7.9948  590.279   11.860  563.423   10.824  273.594   2.7622  267.383   2.5795 6.211151 3.779404 
1 1 1   20    5    8 o   86.170   2.4064   58.549   3.2510   58.361   4.5824   58.740   4.6129   85.821   3.4092   86.097   3.4210 -0.2756271 4.829682 
1 1 1   20    5    9 o   80.173   2.5224   50.736   3.1696   50.672   4.4382   50.801   4.5281   79.891   3.5488   79.975   3.6172 -0.8368683E-01 5.067412 
1 1 1   20    5   10 o  123.596   1.9146  120.248   3.7136  122.206   5.2639  118.309   5.2397  124.402   2.6964  122.393   2.7280 2.008949 3.835630 
1 1 1   20    5   11 o   72.697   2.5106   41.772   2.8599   36.327   3.9746   47.617   4.1184   67.475   3.7685   77.394   3.3992 -9.918663 5.075044 
1 1 1   20    5   12 o  136.488   1.7830  146.676   3.8190  149.413   5.4272  143.992   5.3749  137.522   2.5148  134.996   2.5371 2.526047 3.572274 
1 1 1   20    5   13 o   58.693   2.8046   27.347   2.5758   25.830   3.6215   28.899   3.6643   56.665   4.1003   60.017   3.9119 -3.352398 5.667015 
1 1 1   20    5   14 o   33.122   4.5675   8.9988   2.3110   6.2201   3.2401   11.876   3.2972   26.745   7.4464   37.708   5.7539 -10.96291 9.410409 
1 1 1   20    5   15 o  125.174   1.8163  123.543   3.5679  121.238   5.0407  125.857   5.0509  123.688   2.5969  126.043   2.5535 -2.355003 3.642049 
1 1 1   20    5   16 o   66.752   2.5569   35.389   2.6735   36.836   3.8018   33.973   3.7603   67.715   3.5905   64.974   3.7032 2.740837 5.158031 
1 1 1   20    5   17 o   65.838   2.5620   34.479   2.6420   34.224   3.7285   34.737   3.7441   65.136   3.6624   65.630   3.6497 -0.4938126 5.170441 
1 1 1   20    5   18 o   24.766   5.9879   5.3741   2.3013   6.8387   3.2617   3.9223   3.2475   27.430   7.4057   21.673   7.6569 5.756508 10.65236 
1 1 1   20    5   19 o   15.481   6.2552   1.2536   2.3498   4.7031   3.4249  -1.8145   3.2300   22.847   7.8770   13.765   6.3629 9.081849 10.12586 
1 1 1   20    5   20 o   21.389   6.3102   4.1878   2.2629   2.7991   3.1979   5.5805   3.2026   19.050   7.4238   24.091   7.5882 -5.041838 10.61574 
1 1 1   20    5   21 o   31.965   4.7224   8.8693   2.2976   10.674   3.2784   7.1268   3.2211   33.856   6.4050   26.777   7.4129 7.079161 9.796631 
1 1 1   20    5   22 o   16.165   6.3096   2.0036   2.3130  -1.8341   3.3341   5.5643   3.2115   13.419   6.2900   23.230   7.6258 -9.810853 9.885180 
1 1 1   20    5   23 o   15.759   6.7423   1.2569   2.9646   1.6737   4.4324   0.9195   3.9878   18.002   7.9616   16.782   7.4795 1.219675 10.92381 
1 1 1   20    5   24 o   22.045   6.7202   5.0567   2.5353   7.3083   3.6915   3.0463   3.4882   24.974   8.1746   18.241   7.5250 6.733133 11.11076 
1 1 1   20    5   25 o   11.194   5.2716  -1.2223   2.3898  -2.1637   3.2860  -0.1652   3.4819   12.237   5.8785   14.029   6.5268 -1.792214 8.783794 
1 1 1   20    6    0 o   61.553   3.5441   30.121   3.3972   30.121   3.3972   30.121   3.3972   61.553   3.5441   61.553   3.5441 0.000000 0.000000 
1 1 1   20    6    1 o  178.546   1.6143  250.484   4.5233  250.623   6.4100  250.346   6.3838  178.471   2.2887  178.374   2.2806 0.9693909E-01 3.230933 
1 1 1   20    6    2 o   24.584   5.6898   5.0129   2.1516   4.7026   3.0289   5.3291   3.0569   24.058   7.3475   25.388   7.2900 -1.330318 10.35033 
1 1 1   20    6    3 o   93.743   1.9427   69.097   2.8579   68.388   4.0375   69.809   4.0459   93.121   2.7659   94.088   2.7431 -0.9672394 3.895461 
1 1 1   20    6    4 o  212.785   1.7413  355.892   5.8146  357.510   8.2615  354.305   8.1853  213.079   2.4706  212.126   2.4589 0.9536285 3.485688 
1 1 1   20    6    5 o   73.291   2.6279   42.379   3.0176   44.221   4.3016   40.594   4.2343   74.676   3.6820   71.519   3.7862 3.156738 5.281330 
1 1 1   20    6    6 o  213.112   1.8876  357.188   6.3129  365.931   8.9993  348.716   8.8580  215.458   2.6616  210.321   2.6838 5.137085 3.779766 
1 1 1   20    6    7 o   50.314   3.4350   20.119   2.6960   16.182   3.7967   24.123   3.8288   44.615   5.5420   54.885   4.4844 -10.27047 7.129004 
1 1 1   20    6    8 o  194.214   1.7660  296.668   5.3823  292.215   7.5895  301.174   7.6342  192.516   2.5121  195.453   2.4889 -2.937378 3.536314 
1 1 1   20    6    9 o   72.403   2.4616   41.389   2.7929   43.501   3.9975   39.375   3.9036   74.011   3.4513   70.382   3.5456 3.628479 4.948050 
1 1 1   20    6   10 o   46.045   3.5985   16.935   2.5796   17.987   3.6588   15.895   3.6375   47.078   5.0303   44.124   5.3631 2.954300 7.353012 
1 1 1   20    6   11 o   67.387   2.5067   35.911   2.6462   33.059   3.7118   38.859   3.7736   64.355   3.6908   69.861   3.4528 -5.505302 5.054045 
1 1 1   20    6   12 o  113.263   1.8875  101.068   3.3549  100.145   4.7472  101.990   4.7419  112.510   2.6887  113.551   2.6611 -1.040947 3.782915 
1 1 1   20    6   13 o   30.031   5.0652   7.4856   2.3023   8.8891   3.2460   6.0646   3.2660   32.252   6.6348   26.471   7.5139 5.780750 10.02395 
1 1 1   20    6   14 o   59.641   2.7647   28.266   2.5806   26.590   3.5981   30.042   3.7031   57.439   4.0170   61.122   3.8807 -3.683594 5.585362 
1 1 1   20    6   15 o   89.877   2.1237   63.826   2.9954   57.888   4.2170   69.873   4.2555   85.180   3.1602   93.716   2.8971 -8.535500 4.287173 
1 1 1   20    6   16 o   63.282   2.6477   31.854   2.6236   29.715   3.6775   34.070   3.7440   60.643   3.8846   65.044   3.6829 -4.401222 5.352979 
1 1 1   20    6   17 o   86.133   2.1762   58.796   2.9392   55.820   4.1458   61.804   4.1677   83.459   3.1712   87.906   3.0256 -4.447311 4.383020 
1 1 1   20    6   18 o   53.658   2.9808   23.121   2.5001   22.476   3.5407   23.761   3.5307   52.231   4.3595   53.794   4.2160 -1.562744 6.064612 
1 1 1   20    6   19 o   36.070   4.3385   10.895   2.4065   14.552   3.4349   7.3704   3.3725   41.045   5.4687   27.898   7.5296 13.14696 9.306013 
1 1 1   20    6   20 o   43.114   3.7090   15.394   2.4851   16.455   3.6177   14.447   3.4196   43.338   5.4388   40.516   5.5217 2.821186 7.750506 
1 1 1   20    6   21 o   30.188   5.3981   8.1863   2.4635   9.5238   3.4726   6.8313   3.4952   31.104   7.2489   25.727   7.8996 5.377604 10.72152 
1 1 1   20    6   22 o   21.451   6.5106   4.4883   2.3832   6.5343   3.3947   2.4998   3.3465   24.854   7.8103   18.030   7.3972 6.823538 10.75732 
1 1 1   20    6   23 o   39.472   4.6389   13.726   2.8187   16.023   3.8779   11.153   4.1043   41.017   6.2192   31.970   8.1557 9.047754 10.25641 
1 1 1   20    6   24 f   13.044   5.8520   0.0774   2.4847  -3.2981   3.8277   2.5356   3.2664   12.830   6.2082   17.197   7.2032 -4.366480 9.509357 
1 1 1   20    6   25 f   11.821   5.4220  -0.2936   2.2817   0.9939   3.2156  -1.5992   3.2381   14.623   6.6005   12.445   5.9398 2.178389 8.879623 
1 1 1   20    7    0 o   79.913   3.0279   50.454   3.7848   50.454   3.7848   50.454   3.7848   79.913   3.0279   79.913   3.0279 0.000000 0.000000 
1 1 1   20    7    1 o   95.776   2.0191   72.144   3.0347   71.561   4.3806   72.683   4.2081   95.219   2.9351   95.989   2.7966 -0.7699280 4.054043 
1 1 1   20    7    2 o   43.341   3.8363   14.979   2.5823   15.768   3.5837   14.126   3.7242   44.173   5.2738   41.631   5.8625 2.541698 7.885545 
1 1 1   20    7    3 o   96.123   2.2196   72.714   3.3482   70.080   4.6557   75.535   4.8186   94.172   3.1548   97.775   3.1445 -3.602776 4.454246 
1 1 1   20    7    4 o   32.038   5.1982   8.3881   2.5240   7.4032   3.6113   9.3287   3.5290   29.625   7.6985   33.397   6.9595 -3.771608 10.37792 
1 1 1   20    7    5 o  143.344   1.9436  161.631   4.3720  162.441   6.1696  160.815   6.1965  143.526   2.7392  142.799   2.7651 0.7269440 3.892172 
1 1 1   20    7    6 o  134.739   1.8728  142.804   3.9600  140.146   5.5480  145.566   5.6542  133.313   2.6519  135.866   2.6519 -2.553406 3.750314 
1 1 1   20    7    7 o  151.490   1.8009  180.517   4.2813  183.157   6.0796  177.920   6.0301  152.408   2.5419  150.208   2.5582 2.199524 3.606307 
1 1 1   20    7    8 o   68.754   2.4463   37.321   2.6353   36.104   3.7542   38.504   3.7001   67.390   3.5626   69.639   3.3960 -2.249718 4.921875 
1 1 1   20    7    9 o   99.027   2.0486   77.239   3.1836   78.081   4.6492   76.496   4.3686   99.309   2.9866   98.339   2.8337 0.9697418 4.117038 
1 1 1   20    7   10 o  101.387   1.9611   80.969   3.1202   81.603   4.4354   80.347   4.3903  101.548   2.7859  100.765   2.7790 0.7830429 3.935009 
1 1 1   20    7   11 o   60.222   2.6956   28.740   2.5410   27.971   3.5845   29.516   3.6027   59.096   3.8867   60.739   3.7986 -1.643803 5.434739 
1 1 1   20    7   12 o   51.046   3.1147   20.760   2.4832   23.413   3.5163   18.122   3.5074   53.901   4.1899   47.178   4.8044 6.722862 6.374715 
1 1 1   20    7   13 o   67.794   2.6664   36.460   2.8312   36.102   4.0294   36.809   3.9790   67.068   3.8445   67.758   3.7568 -0.6893234 5.375233 
1 1 1   20    7   14 o   80.624   2.2892   51.436   2.8935   47.631   4.0719   55.317   4.1124   77.203   3.3690   83.303   3.1515 -6.099625 4.613253 
1 1 1   20    7   15 o   28.610   5.4992   6.9338   2.3793   8.5280   3.3680   5.3454   3.3618   31.194   7.0469   24.786   7.7701 6.408009 10.48965 
1 1 1   20    7   16 o   59.261   2.7730   27.999   2.5717   29.810   3.6781   26.267   3.5971   60.698   3.8817   56.883   4.0562 3.814987 5.614347 
1 1 1   20    7   17 o   12.092   5.4908  -1.0545   2.2655  -2.6553   3.2862   0.3954   3.1274   13.361   6.2569   16.085   6.9042 -2.723651 9.317557 
1 1 1   20    7   18 o   46.358   3.5473   17.483   2.5610   13.398   3.8134   20.840   3.4566   38.980   6.4600   50.152   4.4377 -11.17169 7.837379 
1 1 1   20    7   19 o   38.042   4.3552   12.160   2.5532   16.025   3.6708   8.5367   3.5537   42.878   5.5881   29.860   7.5736 13.01843 9.411996 
1 1 1   20    7   20 o   25.522   6.2725   6.0708   2.4940   7.6064   3.5308   4.5416   3.5235   27.525   7.8123   21.841   7.9442 5.684515 11.14190 
1 1 1   20    7   21 o   10.889   5.1576  -2.0742   2.3498  -0.2731   3.3635  -3.7916   3.2842   14.926   6.7425   11.957   5.7771 2.968975 8.879019 
1 1 1   20    7   22 o   15.100   6.0820   1.5451   2.2138   2.1713   3.1366   0.9236   3.1249   17.287   7.1340   15.644   6.8079 1.642444 9.861094 
1 1 1   20    7   23 o   16.319   6.3012   2.2495   2.2877   1.4125   3.1338   3.2045   3.3475   16.032   6.8967   18.660   7.4919 -2.628592 10.18294 
1 1 1   20    7   24 o   23.692   6.7978   6.0997   2.6591   3.1929   3.6489   9.3914   3.8830   17.955   7.5724   27.531   8.3008 -9.576178 11.23591 
1 1 1   20    7   25 o   14.617   6.0784   1.8306   2.3012   2.0442   3.0753   1.5588   3.4688   15.505   6.7506   15.270   6.8772 0.2357121 9.636686 
1 1 1   20    8    0 o   25.678   10.655   7.4533   4.2746   7.4533   4.2746   7.4533   4.2746   25.678   10.655   25.678   10.655 0.000000 0.000000 
1 1 1   20    8    1 o   20.565   7.1854   3.0946   2.8544   4.6029   4.1336   1.7198   3.9463   24.773   8.6475   20.194   8.1251 4.578594 11.86580 
1 1 1   20    8    2 o   67.431   2.9873   35.952   3.1533   37.929   4.5285   34.090   4.3935   69.012   4.2013   65.389   4.3055 3.623108 6.015672 
1 1 1   20    8    3 o   74.270   2.8584   43.580   3.3252   45.942   4.8063   41.411   4.6053   76.002   4.0443   72.136   4.0848 3.865723 5.748276 
1 1 1   20    8    4 o  121.488   2.0493  116.145   3.9071  116.676   5.5662  115.629   5.4855  121.585   2.9173  121.045   2.8878 0.5395050 4.104821 
1 1 1   20    8    5 o   42.978   3.6417   14.735   2.4331   12.834   3.3776   16.785   3.5078   39.634   5.5852   45.584   4.9847 -5.950611 7.486133 
1 1 1   20    8    6 o   71.990   2.5020   40.911   2.8223   43.129   3.8015   38.187   4.2127   73.757   3.2926   69.250   3.8921 4.507019 5.098051 
1 1 1   20    8    7 o   53.560   2.8704   22.727   2.4038   25.366   3.4277   20.172   3.3720   56.373   3.8987   50.137   4.3280 6.235958 5.825072 
1 1 1   20    8    8 o  139.501   1.7324  153.112   3.7925  158.226   5.4465  148.300   5.2839  141.618   2.4507  137.103   2.4559 4.515533 3.469476 
1 1 1   20    8    9 o   71.632   2.5500   40.571   2.8620   37.552   4.3298   42.913   3.8140   68.514   4.0450   73.482   3.3160 -4.968117 5.230466 
1 1 1   20    8   10 o   61.998   2.6673   30.447   2.5890   29.992   3.7158   30.877   3.6094   61.210   3.8884   62.162   3.7170 -0.9521294 5.379216 
1 1 1   20    8   11 o   52.786   3.1126   22.188   2.5669   26.805   3.6570   17.703   3.6040   57.754   4.0608   46.569   5.0102 11.18445 6.449208 
1 1 1   20    8   12 o   17.859   6.3895   2.3237   2.2679   2.6865   3.1972   1.9564   3.2174   19.961   7.5106   18.813   7.4122 1.148441 10.55225 
1 1 1   20    8   13 o   79.792   2.3218   50.380   2.9043   47.649   4.0487   53.276   4.1685   77.247   3.3478   81.726   3.2567 -4.479622 4.670542 
1 1 1   20    8   14 o   71.744   2.5143   40.836   2.8264   40.622   4.0019   41.050   3.9924   71.150   3.5958   71.537   3.5675 -0.3870926 5.065312 
1 1 1   20    8   15 o   82.382   2.2679   53.763   2.9292   53.594   4.1574   53.931   4.1279   81.847   3.2432   82.121   3.2093 -0.2736511 4.562650 
1 1 1   20    8   16 o   34.060   4.8201   9.6764   2.5045   10.280   3.6982   9.1651   3.4038   34.018   7.1547   32.179   6.9443 1.839195 9.970587 
1 1 1   20    8   17 o   85.409   2.4092   58.033   3.2259   56.247   4.5839   59.785   4.5406   83.446   3.5083   86.132   3.3657 -2.685852 4.861678 
1 1 1   20    8   18 o   15.761   6.4120   1.2737   2.4884   3.5298   3.5959  -0.7998   3.4472   20.904   7.9426   15.174   6.8430 5.729367 10.48386 
1 1 1   20    8   19 o   34.548   4.6631   10.197   2.4636   8.1697   3.3691   12.526   3.6118   29.162   7.3621   37.086   6.4393 -7.924658 9.780875 
1 1 1   20    8   20 o   9.4754   4.6262  -3.5986   2.2575  -1.3048   3.2236  -5.8065   3.1626   13.796   6.3701   10.599   5.2339 3.197430 8.244479 
1 1 1   20    8   21 o   29.734   5.1182   7.9229   2.3021   6.0313   3.2703   9.7811   3.2413   24.074   7.6786   31.768   6.7122 -7.693470 10.19875 
1 1 1   20    8   22 o   27.894   5.5716   7.2247   2.3535   2.8314   3.1694   12.625   3.5139   18.198   7.2955   36.243   6.4126 -18.04568 9.713166 
1 1 1   20    8   23 o   22.497   6.4545   5.1426   2.3973   4.7569   3.3776   5.5341   3.4033   20.873   7.7465   22.200   7.8388 -1.326996 11.02068 
1 1 1   20    8   24 o   23.871   7.0543   6.5047   2.8261   3.2047   4.1129   9.4564   3.8898   17.771   7.7706   27.047   8.3388 -9.275562 11.39811 
1 1 1   20    8   25 f   9.8401   4.7769  -2.4497   2.3141  -6.6902   3.2480   1.9218   3.2978   9.6623   4.8531   15.383   6.8320 -5.720793 8.380314 
1 1 1   20    9    0 o   68.219   4.0033   37.094   4.2517   37.094   4.2517   37.094   4.2517   68.219   4.0033   68.219   4.0033 0.000000 0.000000 
1 1 1   20    9    1 o   69.846   2.5823   38.510   2.8256   34.164   3.9673   42.985   4.0253   65.528   3.8753   73.617   3.4943 -8.089386 5.218053 
1 1 1   20    9    2 o   55.190   3.2257   24.160   2.7816   24.121   3.9345   24.198   3.9332   54.841   4.6144   54.931   4.6050 -0.9017181E-01 6.519139 
1 1 1   20    9    3 o   52.342   3.4920   21.785   2.8519   23.293   4.0422   20.290   4.0243   53.815   4.8380   50.102   5.1935 3.713127 7.097854 
1 1 1   20    9    4 o   34.561   4.8372   9.7149   2.5518   12.451   3.8770   7.6234   3.3895   38.698   6.6221   29.991   7.2769 8.706776 9.838944 
1 1 1   20    9    5 o   30.265   5.2552   7.5439   2.4054   8.1620   3.3729   6.9042   3.4314   31.052   7.0795   28.504   7.5516 2.547617 10.35112 
1 1 1   20    9    6 o   71.574   2.6458   40.492   2.9667   42.678   4.1285   38.159   4.2660   73.257   3.6022   69.167   3.9466 4.090263 5.343355 
1 1 1   20    9    7 o  102.384   2.0882   82.583   3.3552   82.619   4.7606   82.547   4.7294  102.154   2.9728  102.115   2.9544 0.3895569E-01 4.191141 
1 1 1   20    9    8 o   13.166   5.8167  -0.6039   2.3598  -0.7460   3.3857  -0.4696   3.2910   15.781   6.9698   15.857   6.9417 -0.7573032E-01 9.836926 
1 1 1   20    9    9 o   62.388   3.2958   30.982   3.2153   27.623   4.4742   34.570   4.6239   58.380   4.9297   65.509   4.5256 -7.129276 6.691998 
1 1 1   20    9   10 o   30.161   5.5664   7.6065   2.5376   7.4081   3.6146   7.7994   3.5634   29.189   7.7587   29.976   7.5736 -0.7869892 10.84236 
1 1 1   20    9   11 o   15.404   6.3275   0.8077   2.4526   2.6937   3.4694  -1.0762   3.4674   20.389   7.7885   15.522   6.9422 4.866836 10.43341 
1 1 1   20    9   12 o   36.321   4.7280   10.833   2.6310   12.318   3.7755   9.4314   3.6684   38.051   6.5594   32.911   7.2946 5.140648 9.810061 
1 1 1   20    9   13 o   56.521   3.1466   25.519   2.7800   26.002   3.9573   25.048   3.9062   56.542   4.4968   55.476   4.5262 1.065582 6.380293 
1 1 1   20    9   14 o   73.372   2.8321   42.866   3.2548   40.114   4.6568   45.495   4.5510   70.340   4.2383   75.119   3.8736 -4.779640 5.741784 
1 1 1   20    9   15 o   46.901   3.9426   17.869   2.8750   21.034   4.2302   15.153   3.9192   50.163   5.4617   42.175   6.0984 7.987888 8.186612 
1 1 1   20    9   16 o  119.364   2.1294  112.869   3.9888  110.647   5.4729  115.386   5.8257  117.622   2.9674  120.016   3.0957 -2.393951 4.288217 
1 1 1   20    9   17 o   25.088   6.4174   5.6382   2.5364   7.7847   3.4405   3.0827   3.7541   28.997   7.5036   20.583   8.0371 8.414211 10.99542 
1 1 1   20    9   18 o   45.169   3.5605   16.732   2.5035   14.218   3.5136   19.325   3.5679   40.285   5.7182   47.729   4.8298 -7.444019 7.485026 
1 1 1   20    9   19 o   13.919   5.9528   0.5123   2.3094   3.3715   3.2792  -2.3012   3.2529   19.831   7.5728   13.114   6.1677 6.716790 9.766701 
1 1 1   20    9   20 o   21.666   6.8029   4.5608   2.5760   6.9867   3.3903   1.2478   3.9621   26.034   7.7348   17.435   7.6250 8.599384 10.86127 
1 1 1   20    9   21 o   17.104   6.5180   2.4885   2.4260  -0.7059   3.4424   5.6409   3.4196   14.505   6.6553   23.060   7.8735 -8.555357 10.30946 
1 1 1   20    9   22 o   30.888   5.2965   8.7478   2.4750   6.9750   3.4790   10.565   3.5218   25.168   7.9064   32.165   7.1613 -6.997093 10.66745 
1 1 1   20    9   23 o   14.023   6.0754   0.8834   2.4659   0.7746   3.6745   0.9726   3.3260   15.600   7.0473   15.370   6.8416 0.2303019 9.822023 
1 1 1   20    9   24 o   16.580   6.7417   2.8317   2.7495   1.8396   3.9441   3.7696   3.8349   16.046   7.2699   17.976   7.6790 -1.929607 10.57442 
1 1 1   20   10    0 o   28.279   8.2527   7.8087   3.1798   7.8087   3.1798   7.8087   3.1798   28.279   8.2527   28.279   8.2527 0.000000 0.000000 
1 1 1   20   10    1 o   79.196   2.2226   49.446   2.7596   52.769   3.9672   46.330   3.8412   81.638   3.1023   76.463   3.2083 5.174904 4.462876 
1 1 1   20   10    2 o   74.262   2.3764   43.513   2.7658   44.154   3.9167   42.875   3.9063   74.604   3.3540   73.503   3.3956 1.100304 4.772812 
1 1 1   20   10    3 o  126.750   1.9400  126.453   3.8588  122.895   5.3585  130.286   5.5616  124.762   2.7369  128.453   2.7590 -3.690460 3.886168 
1 1 1   20   10    4 o   69.390   2.8245   38.103   3.0693   36.345   4.1160   40.304   4.6065   67.509   3.9018   71.028   4.1508 -3.519150 5.696786 
1 1 1   20   10    5 o   64.943   2.7862   33.387   2.8329   35.603   4.0225   31.206   3.9904   66.804   3.8534   62.461   4.0935 4.342365 5.621847 
1 1 1   20   10    6 o   68.177   3.1706   36.902   3.3830   37.602   4.8853   36.256   4.6891   68.396   4.5779   67.192   4.4724 1.203537 6.400006 
1 1 1   20   10    7 o  108.222   2.0986   92.315   3.5641   98.494   5.0920   86.379   4.9905  111.516   2.9122  104.380   3.0499 7.135376 4.216907 
1 1 1   20   10    8 o   32.106   4.8752   8.4705   2.3792   7.2285   3.3373   9.7541   3.3927   28.964   7.3356   33.940   6.6075 -4.976173 9.872728 
1 1 1   20   10    9 o   29.361   5.8133   7.2550   2.5838   7.6549   3.4503   6.7443   3.8987   29.724   7.4202   27.887   8.2966 1.836569 11.13077 
1 1 1   20   10   10 o   31.719   4.9888   8.3213   2.4014   12.419   3.4398   4.4253   3.3539   38.566   5.8683   23.257   7.7983 15.30959 9.759658 
1 1 1   20   10   11 o   97.242   2.1216   74.659   3.2376   73.286   4.5505   76.066   4.6073   95.991   3.0245   97.805   3.0053 -1.813858 4.263789 
1 1 1   20   10   12 o   72.388   2.6993   41.619   3.0610   45.667   4.3967   37.812   4.2641   75.424   3.7261   68.503   3.9837 6.921593 5.454706 
1 1 1   20   10   13 o   73.878   2.6785   43.385   3.1002   43.792   4.4480   43.000   4.3234   73.718   3.8583   73.085   3.7824 0.6337204 5.403088 
1 1 1   20   10   14 o   36.936   4.8568   11.322   2.7471   12.736   4.0797   10.149   3.7156   38.141   7.0764   33.891   7.2081 4.249939 10.10109 
1 1 1   20   10   15 o   38.878   4.4286   12.473   2.6538   14.326   3.7920   10.694   3.7154   40.859   6.1004   34.702   7.0630 6.157608 9.332788 
1 1 1   20   10   16 o   31.707   5.4383   8.6173   2.6086   12.707   3.7014   4.5815   3.6770   38.077   6.4227   23.003   8.1457 15.07381 10.37317 
1 1 1   20   10   17 o   70.228   2.8035   39.630   3.0835   38.061   4.1705   41.521   4.5796   68.064   3.9211   70.924   4.1325 -2.860291 5.696695 
1 1 1   20   10   18 o   40.690   4.7627   14.152   2.9838   11.307   4.4234   16.526   4.0418   33.495   8.4244   42.877   6.1854 -9.381916 10.45128 
1 1 1   20   10   19 o   31.824   5.7780   9.2049   2.7794   9.5323   3.9679   8.8894   3.8945   30.351   8.1568   29.259   8.1702 1.091978 11.54492 
1 1 1   20   10   20 o   55.013   3.6542   25.320   3.1369   20.722   4.3114   30.492   4.5725   47.460   5.9169   58.851   4.9982 -11.39088 7.745434 
1 1 1   20   10   21 o   22.943   6.9232   5.3443   2.7002   6.2858   3.9061   4.4825   3.7370   23.702   8.3953   20.905   8.0583 2.796921 11.63690 
1 1 1   20   10   22 o   33.662   5.0917   10.344   2.6058   8.9838   3.8500   11.493   3.5399   28.008   8.2221   33.593   6.9444 -5.584337 10.76233 
1 1 1   20   10   23 o   19.400   6.5741   4.0731   2.3834   1.6000   3.4750   6.2698   3.2752   15.857   7.0296   22.705   7.7062 -6.847807 10.43077 
1 1 1   20   10   24 o   10.637   5.1351  -2.2023   2.5812   1.0042   3.6155  -5.5352   3.6861   14.784   6.7971   10.921   5.4369 3.863136 8.704019 
1 1 1   20   11    0 o   12.725   7.9454   0.8772   3.2418   0.8772   3.2418   0.8772   3.2418   12.725   7.9454   12.725   7.9454 0.000000 0.000000 
1 1 1   20   11    1 o   34.823   4.4830   9.8371   2.3931   9.9732   3.4272   9.7077   3.3430   34.469   6.5757   34.019   6.4989 0.4494934 9.245329 
1 1 1   20   11    2 o  111.863   1.9333   98.523   3.3939   96.836   4.7726  100.249   4.8273  110.707   2.7471  112.646   2.7308 -1.938797 3.873425 
1 1 1   20   11    3 o   87.089   2.2276   59.829   3.0419   59.509   4.2727   60.158   4.3318   86.627   3.1482   87.091   3.1748 -0.4637375 4.471075 
1 1 1   20   11    4 o  161.067   1.8912  204.271   4.7801  208.118   6.3298  199.164   7.2922  162.372   2.4841  158.655   2.9289 3.716644 3.840444 
1 1 1   20   11    5 o   37.734   4.3121   11.524   2.5077   6.1611   3.5438   16.902   3.5490   26.864   7.8890   45.565   5.0478 -18.70108 9.365680 
1 1 1   20   11    6 o  115.153   2.0930  104.540   3.7823  105.794   5.7706  103.595   5.0080  115.441   3.1884  114.423   2.7890 1.018394 4.236023 
1 1 1   20   11    7 o   62.732   2.9577   31.253   2.9035   33.184   4.1662   29.430   4.0488   64.277   4.1524   60.468   4.2947 3.809891 5.973847 
1 1 1   20   11    8 o   26.808   6.3003   6.1298   2.6054   8.8361   3.7525   3.6108   3.6203   31.868   7.6087   22.117   8.0514 9.751335 11.07779 
1 1 1   20   11    9 o   61.746   3.4443   30.467   3.3242   29.049   4.5386   32.109   4.8826   59.743   4.8834   62.777   4.9974 -3.033344 6.987240 
1 1 1   20   11   10 o   34.867   5.4196   10.133   2.8691   11.479   4.1478   8.8983   3.9730   36.276   7.5326   31.703   7.9899 4.573263 10.98079 
1 1 1   20   11   11 o   42.982   4.6556   15.122   3.0902   12.896   4.3703   17.348   4.3701   38.418   7.5182   45.333   6.3140 -6.914303 9.817823 
1 1 1   20   11   12 o   71.999   2.6431   41.193   2.9813   34.677   4.0146   49.206   4.4517   65.551   3.9206   78.270   3.6342 -12.71924 5.345869 
1 1 1   20   11   13 o   29.696   5.7662   7.5369   2.5902   4.9908   3.5429   10.461   3.7965   24.068   8.0139   34.413   7.2587 -10.34501 10.81262 
1 1 1   20   11   14 o   38.696   4.5832   12.386   2.7292   13.616   3.9409   11.252   3.7832   39.595   6.5726   35.692   7.0045 3.902897 9.605294 
1 1 1   20   11   15 o   32.487   5.4889   9.0325   2.6988   7.3710   3.8511   10.636   3.7831   28.113   8.2152   34.350   7.2464 -6.236441 10.95443 
1 1 1   20   11   16 o   44.288   4.0553   16.179   2.7872   17.616   3.9494   14.753   3.9340   45.210   5.6925   40.905   6.3331 4.305721 8.515433 
1 1 1   20   11   17 o   51.238   3.5004   21.511   2.7977   20.585   4.0016   22.398   3.9131   48.812   5.3094   51.253   4.9256 -2.441441 7.242317 
1 1 1   20   11   18 o   42.998   4.5872   15.819   3.0476   19.723   4.3446   12.038   4.2760   46.686   6.0739   34.611   8.0284 12.07471 10.06717 
1 1 1   20   11   19 f   42.441   3.8231   15.155   2.5190   13.900   3.6055   16.351   3.5209   38.701   6.1415   42.771   5.3632 -4.070179 8.153591 
1 1 1   20   11   20 o   16.544   6.4960   2.1791   2.4639   3.3300   3.3447   0.8134   3.6435   19.130   7.5511   16.269   7.2056 2.860989 10.43738 
1 1 1   20   11   21 o   54.710   3.0510   24.737   2.6091   20.234   3.6644   29.368   3.7158   47.515   4.9887   58.496   4.0733 -10.98073 6.440404 
1 1 1   20   11   22 o   19.411   6.5509   3.9015   2.3666   2.7135   3.3213   5.1267   3.3730   17.476   7.2877   21.147   7.7600 -3.670351 10.64554 
1 1 1   20   11   23 o   14.807   6.0619   1.8945   2.2414   4.7755   3.2586  -0.6927   3.0879   19.581   7.5309   12.911   6.0521 6.670290 9.661345 
1 1 1   20   12    0 o   13.784   8.4239   1.4437   3.4608   1.4437   3.4608   1.4437   3.4608   13.784   8.4239   13.784   8.4239 0.000000 0.000000 
1 1 1   20   12    1 o   34.732   4.7433   9.8496   2.5179   12.373   3.5777   7.3737   3.5441   38.555   6.1171   29.252   7.6390 9.303728 9.786379 
1 1 1   20   12    2 o   58.737   2.9503   27.384   2.7108   26.047   3.8131   28.751   3.8545   56.915   4.3011   59.866   4.1281 -2.951374 5.961600 
1 1 1   20   12    3 o  103.466   2.0529   84.378   3.3332   82.264   4.6898   86.536   4.7383  101.881   2.9363  104.510   2.8918 -2.629234 4.121262 
1 1 1   20   12    4 o   45.869   4.2502   16.973   3.0246   21.144   4.2863   12.837   4.2687   50.817   5.4605   38.792   7.2793 12.02417 9.099707 
1 1 1   20   12    5 o   89.363   2.2607   63.068   3.1679   68.049   4.5677   58.452   4.3972   92.549   3.1496   85.724   3.2747 6.825844 4.543499 
1 1 1   20   12    6 o   31.636   5.9435   8.4207   2.8424   9.5074   4.4987   7.6986   3.6671   32.772   8.6299   29.716   7.7754 3.055771 11.61599 
1 1 1   20   12    7 o   11.873   5.5416  -2.2206   2.5424   1.8044   3.7289  -5.7169   3.4754   19.510   7.8810   11.957   5.8158 7.553129 9.794558 
1 1 1   20   12    8 o   59.611   3.3071   28.377   3.0816   24.399   4.2696   32.702   4.4522   54.628   5.0371   63.553   4.4931 -8.924084 6.749855 
1 1 1   20   12    9 o   84.364   2.4984   56.393   3.3041   52.705   4.6222   60.247   4.7249   81.113   3.6405   86.811   3.4753 -5.698097 5.032928 
1 1 1   20   12   10 o   64.519   3.1654   33.238   3.1952   37.175   4.3068   28.418   4.7651   67.869   4.0623   58.768   5.2211 9.101494 6.615330 
1 1 1   20   12   11 o   23.380   7.3927   4.6994   3.0369   2.6184   4.5068   6.4305   4.1103   21.507   8.6726   26.914   8.6110 -5.406746 12.22140 
1 1 1   20   12   12 o   26.758   6.9323   6.3171   2.9342   6.2109   4.1275   6.4256   4.1720   26.417   8.6437   26.794   8.6848 -0.3776531 12.25315 
1 1 1   20   12   13 o   49.025   3.9768   19.562   3.0333   20.345   4.3473   18.819   4.2345   49.074   5.7541   47.121   5.8522 1.953735 8.207162 
1 1 1   20   12   14 o   50.565   3.7973   20.807   2.9912   26.302   4.5106   16.493   3.9964   56.056   5.1863   43.852   5.9615 12.20353 7.901769 
1 1 1   20   12   15 o   42.734   4.2092   15.101   2.7862   15.525   4.0327   14.714   3.8539   42.077   6.3009   41.027   6.1773 1.049644 8.823870 
1 1 1   20   12   16 o   37.592   4.4968   11.923   2.6003   11.584   3.8899   12.198   3.4962   35.176   7.2866   36.889   6.2630 -1.713902 9.608297 
1 1 1   20   12   17 o   36.599   4.4958   11.423   2.5280   14.213   3.6130   8.7462   3.5384   39.747   5.9773   29.861   7.5483 9.885727 9.628310 
1 1 1   20   12   18 o   17.971   6.9532   2.6608   2.7898  -0.0884   3.9018   5.5365   3.9905   16.075   7.2620   23.110   8.4469 -7.034893 11.13943 
1 1 1   20   12   19 f   23.034   6.3891   5.1662   2.3903   2.2710   3.3721   8.0900   3.3887   17.714   7.3615   27.920   7.5528 -10.20592 10.54692 
1 1 1   20   12   20 o   50.708   3.4688   21.531   2.7438   21.180   3.7206   21.948   4.0624   48.783   4.9275   49.158   5.3524 -0.3750458 7.275247 
1 1 1   20   12   21 o   32.645   4.8972   9.6645   2.4315   8.4005   3.4596   10.898   3.4181   27.588   7.6993   32.669   6.8847 -5.080545 10.32854 
1 1 1   20   12   22 f   11.524   5.3384  -0.7252   2.2915  -2.7926   3.2593   1.2955   3.2222   11.866   5.7385   15.230   6.7594 -3.364685 8.866765 
1 1 1   20   12   23 o   12.083   5.4939   0.0805   2.2770   0.1961   3.2176  -0.0354   3.2227   13.620   6.3150   13.427   6.2575 0.1929855 8.890158 
1 1 1   20   13    0 o   94.587   3.3384   70.914   4.9414   70.914   4.9414   70.914   4.9414   94.587   3.3384   94.587   3.3384 0.000000 0.000000 
1 1 1   20   13    1 o   41.938   4.2340   14.222   2.7484   17.191   3.9021   11.300   3.8717   45.692   5.5560   36.383   7.0356 9.308910 8.964828 
1 1 1   20   13    2 o   77.116   2.8777   47.183   3.4765   49.756   5.0148   44.802   4.8238   78.764   4.0709   74.706   4.1307 4.058388 5.799517 
1 1 1   20   13    3 o   64.283   3.2529   32.919   3.2708   33.517   4.7184   32.365   4.5381   64.345   4.7054   63.266   4.6024 1.078339 6.581948 
1 1 1   20   13    4 o   74.554   3.2283   44.258   3.7681   46.810   6.1186   42.698   4.7827   75.827   5.1728   72.859   4.2008 2.968330 6.663652 
1 1 1   20   13    5 o   39.385   4.9433   12.730   2.9882   16.589   4.3486   9.2780   4.1130   44.431   6.4230   32.438   8.1038 11.99250 10.34050 
1 1 1   20   13    6 o   16.102   6.7346   0.6615   2.8489  -1.0041   4.3403   1.9222   3.7762   17.499   7.8007   19.703   7.9407 -2.203653 11.13131 
1 1 1   20   13    7 o   48.635   3.7733   19.040   2.8574   22.092   4.0834   16.112   3.9998   51.902   5.0783   43.886   5.9618 8.015980 7.831489 
1 1 1   20   13    8 o   81.761   2.6298   53.046   3.3699   54.947   4.9758   51.435   4.5803   82.695   3.8447   80.094   3.6537 2.600296 5.303896 
1 1 1   20   13    9 o   18.249   6.7744   2.3275   2.5835   4.0693   3.8244   0.8654   3.5038   22.816   8.2797   17.680   7.4365 5.136084 11.12901 
1 1 1   20   13   10 o   47.536   3.6891   18.240   2.7305   16.719   3.8642   19.756   3.8588   44.680   5.6363   48.880   5.1057 -4.200863 7.605016 
1 1 1   20   13   11 o   22.436   6.9770   4.3449   2.7163   4.2903   4.0988   4.3876   3.6272   23.230   8.5492   23.013   8.0955 0.2174358 11.77397 
1 1 1   20   13   12 o   29.939   5.6315   7.6785   2.5488   8.7130   3.5627   6.5938   3.6480   31.117   7.4039   26.922   8.0294 4.194960 10.92194 
1 1 1   20   13   13 o   30.897   5.5335   8.1914   2.5845   3.4227   3.6148   13.179   3.6967   21.128   7.9781   38.962   6.2578 -17.83332 10.13958 
1 1 1   20   13   14 o   53.703   3.3069   23.337   2.7734   24.287   3.9672   22.429   3.8788   53.951   4.7336   51.771   4.8300 2.180450 6.762863 
1 1 1   20   13   15 o   42.457   3.9317   14.922   2.5899   14.857   3.6814   14.986   3.6442   41.111   5.8729   41.366   5.7707 -0.2543449 8.233588 
1 1 1   20   13   16 o   48.576   3.7936   19.573   2.8690   18.665   4.0684   20.470   4.0464   45.862   5.7810   48.373   5.4236 -2.510876 7.926877 
1 1 1   20   13   17 o   19.554   6.9061   3.5309   2.6416   2.5363   3.7522   4.5083   3.7196   18.788   7.7827   21.571   8.1044 -2.783781 11.23615 
1 1 1   20   13   18 o   14.943   6.3820   0.9464   2.6478   0.4060   3.9390   1.3919   3.5764   16.390   7.3595   16.912   7.3219 -0.5221748 10.38132 
1 1 1   20   13   19 o   27.017   6.3563   7.1172   2.6496   5.2570   3.7582   8.9555   3.7362   22.060   8.1742   28.711   7.9969 -6.651247 11.43540 
1 1 1   20   13   20 o   11.308   5.3636  -1.9907   2.5584  -7.8025   3.4758   4.8816   3.7796   10.173   5.0971   21.127   8.1145 -10.95349 9.582577 
1 1 1   20   13   21 o   25.727   6.0241   6.6543   2.3891   6.5027   3.4068   6.8010   3.3512   23.309   7.8599   23.961   7.7850 -0.6523800 11.06274 
1 1 1   20   13   22 f   16.689   6.6116   2.9633   2.5728  -2.6899   3.7843   7.8216   3.5082   12.551   6.0965   24.323   7.9695 -11.77209 10.03393 
1 1 1   20   14    0 o   15.367   9.4754   1.7864   4.4695   1.7864   4.4695   1.7864   4.4695   15.367   9.4754   15.367   9.4754 0.000000 0.000000 
1 1 1   20   14    1 o   29.435   7.3062   7.5438   3.3591   10.875   4.7475   4.2043   4.7533   34.883   8.7018   24.182   9.1448 10.70078 12.62334 
1 1 1   20   14    2 o   19.237   7.1740   2.5364   2.9035   1.5494   4.0712   3.5581   4.1421   19.731   8.1337   22.562   8.5356 -2.830797 11.79037 
1 1 1   20   14    3 o   72.855   2.7400   42.134   3.1272   38.417   4.4026   45.918   4.4426   69.077   4.0794   75.686   3.7521 -6.608253 5.542588 
1 1 1   20   14    4 o   27.280   6.3557   6.3943   2.6702   7.5804   3.8633   5.3093   3.6949   29.260   8.1251   25.003   8.1780 4.257298 11.52809 
1 1 1   20   14    5 o   40.073   4.3942   13.093   2.7181   12.033   3.8502   14.145   3.8378   37.453   6.8012   40.971   6.1594 -3.518322 9.175804 
1 1 1   20   14    6 o   43.838   4.0632   15.574   2.7635   16.399   3.9230   14.762   3.8935   44.303   5.7804   41.855   6.1075 2.447365 8.409200 
1 1 1   20   14    7 o   48.770   4.3260   19.348   3.2766   21.754   4.6806   17.036   4.5883   50.960   5.9656   44.625   6.7636 6.334209 9.018561 
1 1 1   20   14    8 o   28.882   6.1956   7.1917   2.7239   9.3476   3.8247   4.9726   3.8804   32.402   7.6459   24.298   8.3842 8.103718 11.34702 
1 1 1   20   14    9 o   36.834   5.0071   11.287   2.8194   13.844   4.0058   8.7771   3.9689   40.091   6.5962   31.140   8.0599 8.950863 10.41496 
1 1 1   20   14   10 o   16.001   6.5903   0.9945   2.6696   1.2188   3.8110   0.7783   3.7407   18.538   7.7739   17.880   7.6093 0.6585846 10.87817 
1 1 1   20   14   11 o   23.758   7.2475   5.0068   2.9481   4.1587   4.4482   5.6711   3.9370   23.130   8.8231   25.188   8.4491 -2.057081 12.21612 
1 1 1   20   14   12 o   39.898   4.5439   13.218   2.7944   10.473   3.8912   16.140   4.0155   33.907   7.5108   43.261   6.0825 -9.353855 9.664879 
1 1 1   20   14   13 o   41.247   4.4275   14.155   2.8211   12.074   3.9659   16.287   4.0137   36.440   7.1907   43.251   6.0810 -6.811745 9.417298 
1 1 1   20   14   14 o   14.462   6.2984   0.1620   2.6791  -0.9823   3.7628   1.3385   3.8154   15.539   7.0639   18.027   7.6788 -2.487844 10.43371 
1 1 1   20   14   15 o   21.055   6.9042   4.1144   2.6328   5.5332   3.7179   2.6873   3.7287   23.714   8.2056   19.322   7.8532 4.391804 11.35801 
1 1 1   20   14   16 o   14.968   6.3753   0.8545   2.6294  -2.0801   3.7131   3.8066   3.7241   14.137   6.6301   20.540   8.0094 -6.403147 10.39760 
1 1 1   20   14   17 o   18.868   6.8083   3.3066   2.5812   3.1340   3.6525   3.4787   3.6482   19.203   7.7843   19.680   7.8482 -0.4777508 11.05389 
1 1 1   20   14   18 o   17.669   6.7488   2.7673   2.6048   2.9245   3.6868   2.6107   3.6807   18.692   7.7261   18.287   7.6521 0.4050026 10.87415 
1 1 1   20   14   19 o   17.362   6.6841   2.6982   2.5688   5.5591   3.6894   0.0064   3.5787   22.311   8.1271   15.151   6.8881 7.160497 10.65339 
1 1 1   20   14   20 o   17.738   7.2910   2.9004   3.2590   0.0130   4.6518   5.6839   4.5672   16.160   7.5269   21.480   8.7057 -5.320023 11.50844 
1 1 1   20   14   21 o   14.363   6.4309   0.9343   2.9841  -2.4132   4.1789   4.4171   4.2625   13.386   6.4794   18.826   8.0702 -5.440712 10.34943 
1 1 1   20   14   22 o   16.627   7.1202   3.1358   3.3119   4.9966   4.1754  -0.0210   5.4385   18.606   7.9818   15.270   7.3917 3.335839 10.87872 
1 1 1   20   15    0 o   64.603   4.1075   33.548   4.1252   33.548   4.1252   33.548   4.1252   64.603   4.1075   64.603   4.1075 0.000000 0.000000 
1 1 1   20   15    1 o   47.737   3.7380   18.358   2.7779   22.017   3.9717   14.854   3.8868   51.823   4.9435   42.008   6.0720 9.815071 7.829870 
1 1 1   20   15    2 o   19.255   6.7375   2.8658   2.5101   4.6026   3.5529   1.1350   3.5468   23.561   8.0259   18.148   7.5465 5.412781 11.01653 
1 1 1   20   15    3 o   67.413   3.1116   36.260   3.2829   33.800   4.7858   38.446   4.5118   64.362   4.7722   68.961   4.1889 -4.599007 6.349848 
1 1 1   20   15    4 o   62.193   3.1751   30.906   3.0886   24.124   4.3408   37.861   4.3957   54.108   5.1752   68.449   4.1111 -14.34117 6.609336 
1 1 1   20   15    5 o   8.5746   4.3197  -8.1667   2.6767  -7.7916   3.8120  -8.5316   3.7593   11.646   5.7500   11.192   5.5582 0.4539413 7.997269 
1 1 1   20   15    6 o   22.771   7.0065   4.4654   2.7478   5.0618   3.9510   3.9066   3.8241   24.466   8.4592   22.472   8.2599 1.994312 11.82303 
1 1 1   20   15    7 o   16.777   6.7600   1.3730   2.7360   3.9682   3.8738  -1.2098   3.8647   22.565   8.3100   16.098   7.2537 6.466881 11.03057 
1 1 1   20   15    8 o   25.481   6.5309   5.6967   2.6233   1.6317   3.7720   9.5049   3.6509   19.004   7.8310   32.684   7.3023 -13.68007 10.70738 
1 1 1   20   15    9 o   56.156   3.2269   25.334   2.8318   24.146   3.9909   26.539   4.0187   54.092   4.7496   56.843   4.5429 -2.751030 6.572403 
1 1 1   20   15   10 o   21.960   6.7565   4.2256   2.5552   7.2126   3.5952   1.1764   3.6324   28.002   7.8611   18.014   7.5739 9.988258 10.91611 
1 1 1   20   15   11 o   17.472   6.9795   1.7805   2.8904  -2.4634   3.9905   6.4645   4.1922   15.052   6.9973   26.304   8.7162 -11.25189 11.17741 
1 1 1   20   15   12 o   12.213   5.6178  -1.3952   2.4738  -1.4414   3.4228  -1.3446   3.5795   14.558   6.6635   14.991   6.8437 -0.4331932 9.551874 
1 1 1   20   15   13 o   16.213   6.5116   1.5729   2.5298   0.4300   3.5334   2.7751   3.6238   16.481   7.2044   19.577   7.8168 -3.095701 10.63047 
1 1 1   20   15   14 o   26.622   6.3447   6.5749   2.6129   8.3818   3.6986   4.7747   3.6918   28.982   7.9120   22.391   8.1336 6.590792 11.34699 
1 1 1   20   15   15 o   12.858   5.7793  -0.4384   2.4357   1.0190   3.4271  -1.9261   3.4624   16.533   7.1626   13.747   6.4325 2.786551 9.627068 
1 1 1   20   15   16 o   15.988   6.4221   1.8070   2.4611  -0.3597   3.4926   3.9440   3.4685   14.985   6.8095   20.294   7.7787 -5.309033 10.33818 
1 1 1   20   15   17 o   20.086   6.9036   4.0014   2.6301   2.7077   3.6920   5.3344   3.7476   18.419   7.6824   22.213   8.1747 -3.793903 11.21812 
1 1 1   20   15   18 o   16.780   6.7163   2.3007   2.6817   6.5142   3.7444  -2.1364   3.8425   23.910   8.2366   13.884   6.5819 10.02636 10.54332 
1 1 1   20   15   19 o   17.882   6.7429   3.1138   2.5800   6.5835   3.6370  -0.4013   3.6606   23.634   8.1184   14.678   6.7810 8.955950 10.57783 
1 1 1   20   15   20 o   12.699   5.7924  -0.0958   2.5568  -1.4267   3.5413   1.3534   3.6952   13.211   6.2789   15.684   7.0778 -2.473110 9.461468 
1 1 1   20   15   21 o   12.011   5.5185  -0.1234   2.3776   1.2457   3.4054  -1.4252   3.3209   14.725   6.7042   12.466   5.9676 2.259182 8.975426 
1 1 1   20   16    0 o   66.133   4.0522   35.170   4.1689   35.170   4.1689   35.170   4.1689   66.133   4.0522   66.133   4.0522 0.000000 0.000000 
1 1 1   20   16    1 o   53.506   3.3925   22.989   2.8339   23.509   4.0188   22.474   3.9968   53.492   4.8397   52.247   4.9330 1.244061 6.910706 
1 1 1   20   16    2 o   41.769   4.1909   14.228   2.7100   17.720   3.8834   10.913   3.7835   46.080   5.4772   35.306   7.0755 10.77465 8.947726 
1 1 1   20   16    3 o   32.562   5.3605   8.9277   2.6439   8.0003   3.7476   9.8468   3.7307   29.807   7.8895   33.355   7.3278 -3.547667 10.76763 
1 1 1   20   16    4 o   22.675   6.7861   4.4554   2.6023   5.0886   3.6808   3.8227   3.6796   24.304   8.1697   22.134   8.1078 2.169193 11.51005 
1 1 1   20   16    5 o   32.280   5.4224   8.8100   2.6496   15.412   3.8313   2.7586   3.6681   42.667   5.8780   20.425   7.9534 22.24165 9.889771 
1 1 1   20   16    6 o   67.357   2.7891   36.187   2.9418   33.711   4.1617   38.659   4.1590   64.380   4.1412   69.122   3.8493 -4.741989 5.653901 
1 1 1   20   16    7 o   17.780   6.7659   2.1448   2.6118  -0.6657   3.6609   5.0582   3.7273   16.078   7.1660   24.093   8.2203 -8.014469 10.90523 
1 1 1   20   16    8 o   43.723   4.5547   15.816   3.0795   19.079   4.5946   13.154   4.1494   46.964   6.4004   38.442   7.1410 8.522171 9.589586 
1 1 1   20   16    9 o   22.775   7.0846   4.6126   2.8005   6.8771   3.9923   2.4190   3.9294   27.106   8.4630   19.996   8.0855 7.109734 11.70463 
1 1 1   20   16   10 o   24.209   7.0362   5.3286   2.8319   5.7658   3.9738   4.8774   4.0367   24.969   8.4883   23.527   8.5108 1.442015 12.02021 
1 1 1   20   16   11 o   44.101   5.2592   16.638   3.5681   19.121   4.8762   13.775   5.2350   45.963   6.9795   37.172   9.0583 8.790874 11.43531 
1 1 1   20   16   12 o   13.239   5.9961  -0.8130   2.6802  -6.4110   3.7482   5.0445   3.8341   11.790   5.7980   23.092   8.3022 -11.30213 10.12634 
1 1 1   20   16   13 o   16.415   6.6336   1.7110   2.6431  -1.5535   3.8153   4.7233   3.6649   14.883   6.8922   22.206   8.0983 -7.323618 10.63415 
1 1 1   20   16   14 o   13.425   6.0519  -0.4557   2.6933  -7.7961   3.7776   7.1332   3.8411   11.042   5.4982   25.930   8.3270 -14.88878 9.978405 
1 1 1   20   16   15 o   11.638   5.4921  -1.9762   2.6190  -2.3387   3.7080  -1.6153   3.6998   13.737   6.4983   14.260   6.6651 -0.5230532 9.308675 
1 1 1   20   16   16 o   16.886   6.6275   2.3583   2.5636   0.4512   3.5166   4.5212   3.7451   15.626   6.9898   20.917   8.0660 -5.291000 10.67318 
1 1 1   20   16   17 o   42.451   3.9941   15.486   2.6296   11.779   3.6732   19.384   3.7661   33.971   7.1184   46.077   5.3052 -12.10598 8.877857 
1 1 1   20   16   18 o   18.016   6.6025   3.1859   2.4406   3.0109   3.4593   3.3593   3.4437   18.128   7.4876   18.599   7.5516 -0.4708385 10.63441 
1 1 1   20   16   19 o   15.921   6.3559   2.3320   2.3954   2.8328   3.3694   1.8202   3.4061   17.192   7.2650   16.012   7.0343 1.179930 10.11243 
1 1 1   20   16   20 o   12.841   5.8252   0.3403   2.5421   0.2969   3.5592   0.3856   3.6321   14.120   6.5790   14.268   6.6475 -0.1485100 9.352605 
1 1 1   20   17    0 o   17.638   9.5340   3.8638   3.6802   3.8638   3.6802   3.8638   3.6802   17.638   9.5340   17.638   9.5340 0.000000 0.000000 
1 1 1   20   17    1 o   59.032   3.1006   27.921   2.8623   32.133   4.0305   23.636   4.0656   62.859   4.1084   53.470   4.8995 9.388966 6.394077 
1 1 1   20   17    2 o   30.380   5.7925   7.9240   2.6609   9.9916   3.7930   5.9205   3.7337   33.398   7.4289   25.695   8.2056 7.703045 11.06886 
1 1 1   20   17    3 o   18.705   6.8343   2.6284   2.6119   4.0763   3.7225   1.2243   3.6657   22.444   8.1652   18.233   7.6335 4.211384 11.17773 
1 1 1   20   17    4 o   63.333   2.9836   32.113   2.9571   29.819   4.1619   34.451   4.2022   60.307   4.4285   65.014   4.1402 -4.707203 6.062420 
1 1 1   20   17    5 o   18.291   6.8108   2.4427   2.6151   2.4761   3.7572   2.4113   3.6421   19.951   7.9618   19.699   7.8463 0.2517643 11.17829 
1 1 1   20   17    6 o   15.458   6.4796   0.7486   2.6461  -0.1409   3.7207   1.6589   3.7641   16.639   7.3293   18.805   7.7928 -2.165897 10.69800 
1 1 1   20   17    7 o   45.534   3.9567   16.980   2.7993   11.268   3.8675   23.264   4.0569   35.315   7.2224   52.753   4.9586 -17.43818 8.760732 
1 1 1   20   17    8 o   38.907   5.0053   12.790   2.9853   19.086   4.5706   8.1048   3.9425   46.665   6.4105   29.187   8.2455 17.47788 10.44429 
1 1 1   20   17    9 o   35.885   4.9469   10.945   2.7118   13.899   3.9122   8.2136   3.7624   39.463   6.5465   29.318   7.9700 10.14497 10.31393 
1 1 1   20   17   10 o   49.831   3.8280   20.489   2.9706   22.056   4.1894   18.905   4.2128   50.563   5.3614   46.326   5.9307 4.236275 7.994830 
1 1 1   20   17   11 o   17.078   6.9125   1.8604   2.8752   3.9356   3.9134  -0.5737   4.2384   21.232   8.2296   16.541   7.5107 4.691025 11.14169 
1 1 1   20   17   12 o   18.334   6.9846   2.7904   2.7853  -0.5094   3.8822   6.2907   3.9984   15.805   7.1811   24.602   8.5097 -8.797402 11.13472 
1 1 1   20   17   13 o   25.772   6.3704   6.3480   2.5616   8.0297   3.6327   4.6850   3.6125   27.714   7.9435   21.667   8.0169 6.046438 11.28582 
1 1 1   20   17   14 o   20.824   6.9886   4.3114   2.6935   4.1328   3.6804   4.5175   3.9526   20.513   7.9726   21.131   8.2481 -0.6175995 11.47143 
1 1 1   20   17   15 o   15.642   6.5311   1.5288   2.6726   1.6077   3.7745   1.4494   3.7848   17.130   7.4679   16.972   7.4367 0.1581135 10.53920 
1 1 1   20   17   16 o   36.015   5.1460   11.815   2.8258   12.655   4.0017   10.980   3.9910   34.640   7.5730   31.575   8.0355 3.064959 11.04173 
1 1 1   20   17   17 o   17.583   6.8327   2.9228   2.7029   4.4231   3.7852   1.3620   3.8609   20.121   8.0040   16.541   7.3664 3.580807 10.87792 
1 1 1   20   17   18 o   19.145   6.9064   4.0530   2.6559   2.1672   3.7216   6.0104   3.7915   16.653   7.3330   21.608   8.1682 -4.955257 10.97692 
1 1 1   20   17   19 o   17.853   6.8093   3.7204   2.6492  -1.2401   3.6986   8.9468   3.7964   13.201   6.3137   25.300   8.2904 -12.09867 10.42079 
1 1 1   20   18    0 o   13.339   8.4007   1.1082   3.7079   1.1082   3.7079   1.1082   3.7079   13.339   8.4007   13.339   8.4007 0.000000 0.000000 
1 1 1   20   18    1 o   24.094   6.6971   5.1860   2.6233   6.7170   3.7563   3.7284   3.6651   26.898   8.1759   21.624   8.0609 5.274157 11.48148 
1 1 1   20   18    2 o   26.779   6.4793   6.3859   2.6931   5.2754   3.8291   7.4731   3.7885   24.276   8.3304   28.290   8.1130 -4.013897 11.62827 
1 1 1   20   18    3 o   30.638   5.9673   8.1913   2.7659   6.8614   3.9888   9.4232   3.8388   27.044   8.4616   31.932   7.7417 -4.887894 11.46874 
1 1 1   20   18    4 o   34.518   5.2456   10.146   2.7522   8.3037   3.8526   12.066   3.9330   29.724   8.0585   36.603   7.1033 -6.878956 10.74225 
1 1 1   20   18    5 o   33.438   5.3470   9.5840   2.7113   5.9037   3.8012   13.396   3.8685   25.195   8.2977   38.885   6.5734 -13.68988 10.58590 
1 1 1   20   18    6 o   13.023   6.0000  -1.5725   2.8378   0.8593   4.0377  -3.9463   3.9893   18.065   7.8003   13.890   6.6193 4.174544 10.23032 
1 1 1   20   18    7 o   28.780   6.5520   7.5291   2.8926   8.6508   4.0935   6.4106   4.0880   29.726   8.4034   25.743   8.6092 3.983067 12.03059 
1 1 1   20   18    8 o   45.333   5.0921   17.621   3.5600   15.674   4.9991   19.624   5.0709   40.170   8.2077   45.988   7.2675 -5.817936 10.96286 
1 1 1   20   18    9 o   17.180   6.7800   2.0737   2.6959   5.3809   3.8034  -1.2656   3.8219   23.485   8.2874   15.224   6.9953 8.261173 10.84501 
1 1 1   20   18   10 o   21.246   6.9497   4.2710   2.6683   3.0935   3.7650   5.4593   3.7822   19.729   7.9368   23.354   8.2622 -3.625046 11.45672 
1 1 1   20   18   11 o   24.506   7.2147   5.9792   2.9607   6.2075   3.7701   5.6118   4.7824   24.318   8.2678   23.214   9.0693 1.104267 12.27232 
1 1 1   20   18   12 o   19.710   7.1301   3.7064   2.8332   6.0337   3.9410   1.2170   4.0759   23.610   8.4255   17.383   7.6636 6.226772 11.38946 
1 1 1   20   18   13 o   36.297   5.3069   11.957   2.9336   12.934   4.1245   10.956   4.1733   35.315   7.6630   31.609   8.3063 3.705999 11.30121 
1 1 1   20   18   14 o   17.809   6.9158   2.8582   2.7676   4.4703   3.8832   1.1940   3.9455   20.676   8.1440   16.820   7.4715 3.855558 11.05207 
1 1 1   20   18   15 o   12.621   5.8139  -0.8097   2.6635   0.3597   3.7053  -2.0600   3.8314   15.575   7.0524   13.835   6.5625 1.740452 9.633371 
1 1 1   20   18   16 o   16.062   6.6498   2.0029   2.7371  -1.5057   3.7996   5.7874   3.9463   13.985   6.6044   21.944   8.3246 -7.959104 10.62626 
1 1 1   20   18   17 o   13.562   6.2522  -0.1773   3.0881  -0.7424   4.2497   0.4550   4.4950   14.685   6.9498   15.762   7.3604 -1.076840 10.12303 
1 1 1   20   18   18 o   12.568   5.7295   0.1554   2.4971  -3.6340   3.6275   3.5687   3.4428   11.693   5.7411   17.382   7.3445 -5.689267 9.322076 
1 1 1   20   18   19 o   21.035   6.9665   5.6303   2.6782   3.7282   3.7567   7.5961   3.8191   16.993   7.4285   22.015   8.2242 -5.021875 11.08243 
1 1 1   20   19    0 o   9.4550   6.7200  -5.1200   4.2749  -5.1200   4.2749  -5.1200   4.2749   9.4550   6.7200   9.4550   6.7200 0.000000 0.000000 
1 1 1   20   19    1 o   13.015   6.1509  -2.9354   3.3073  -2.5655   4.6701  -3.3076   4.6844   16.152   7.5291   15.674   7.3809 0.4775248 10.54349 
1 1 1   20   19    2 o   66.904   3.7850   36.627   3.9577   39.507   5.6126   33.778   5.5816   68.192   5.2860   62.601   5.7457 5.591381 7.807328 
1 1 1   20   19    3 o   25.679   8.4991   6.3607   3.9864   3.0152   5.0056   12.162   6.5913   21.526   8.9592   33.114   10.928 -11.58754 14.13078 
1 1 1   20   19    4 o   16.443   7.1314   0.5488   3.4048   1.5913   4.6704  -0.6337   4.9743   19.529   8.4105   17.958   8.1473 1.570410 11.70965 
1 1 1   20   19    5 o   26.530   7.3604   6.7170   3.1719   4.1398   4.4664   9.3392   4.5053   22.127   8.7284   30.193   8.9026 -8.066525 12.46764 
1 1 1   20   19    6 o   16.028   6.8971   0.7587   3.1356  -0.0061   4.3458   1.5892   4.5288   17.273   7.7451   19.059   8.2453 -1.785990 11.31243 
1 1 1   20   19    7 o   15.505   6.7410   0.5266   3.0578  -1.6803   4.2973   2.7902   4.3521   15.690   7.2829   20.001   8.3414 -4.310209 11.07343 
1 1 1   20   19    8 o   24.757   7.5286   6.1028   3.1846   9.9051   4.3617   1.7620   4.6604   30.552   8.6870   19.036   8.2985 11.51669 12.01369 
1 1 1   20   19    9 o   19.551   7.2934   3.4804   3.0015   0.1791   4.4456   6.2459   4.0689   17.117   7.7403   24.225   8.5696 -7.108040 11.54774 
1 1 1   20   19   10 o   14.749   6.4621   0.4827   2.8571  -3.8917   4.0798   4.6928   4.0025   13.470   6.4911   21.572   8.3332 -8.101433 10.56301 
1 1 1   20   19   11 f   14.756   6.5584   0.3003   3.0448   6.4905   4.1221  -7.1323   4.5169   23.971   8.6096   12.563   6.2130 11.40821 10.61726 
1 1 1   20   19   12 f   39.289   4.9420   13.818   2.9798   12.606   4.2546   14.986   4.1747   34.145   8.0689   38.509   7.1719 -4.364498 10.79548 
1 1 1   20   19   13 o   23.382   7.0956   5.7476   2.8308   9.2469   4.0410   2.3757   3.9667   28.230   8.4582   17.971   7.7454 10.25941 11.46879 
1 1 1   20   19   14 o   15.748   6.5648   1.7410   2.6938   0.3027   3.8197   3.1642   3.7997   15.588   7.0983   18.587   7.7760 -2.998765 10.52866 
1 1 1   20   19   15 o   21.069   7.1551   4.8903   2.8234   3.7981   4.1738   5.8117   3.8337   19.099   8.0790   21.849   8.2236 -2.750204 11.52819 
1 1 1   20   19   16 o   12.716   5.9164  -0.5993   2.8624   0.3026   4.1488  -1.4187   3.9544   15.179   7.0825   13.759   6.5661 1.419589 9.657931 
1 1 1   20   19   17 o   14.273   6.3944   1.2148   2.9551  -0.7965   4.3941   2.8756   3.9929   14.153   6.7986   16.592   7.4330 -2.438658 10.07326 
1 1 1   20   19   18 o   12.964   5.9017   0.6057   2.6381   1.3198   3.6584  -0.1680   3.8077   14.605   6.7585   13.620   6.4840 0.9851189 9.365887 
1 1 1   20   20    0 o   12.113   7.9761   0.0623   3.8653   0.0623   3.8653   0.0623   3.8653   12.113   7.9761   12.113   7.9761 0.000000 0.000000 
1 1 1   20   20    1 o   19.519   7.2068   3.2914   2.9167   5.2370   4.1835   1.4512   4.0685   23.241   8.6220   18.229   7.8502 5.012016 11.66039 
1 1 1   20   20    2 o   14.880   6.5391   0.1775   2.9457   0.2252   4.2134   0.1320   4.1198   17.171   7.6681   16.938   7.5721 0.2325001 10.77662 
1 1 1   20   20    3 f   55.964   4.1280   26.255   3.5998   25.906   5.0817   26.608   5.1002   53.580   6.1554   54.390   6.0791 -0.8107147 8.651262 
1 1 1   20   20    4 o   27.160   6.9786   7.1094   2.9902   6.6430   4.2466   7.5680   4.2113   25.184   8.7666   26.742   8.7298 -1.557117 12.37184 
1 1 1   20   20    5 o   27.172   6.7532   7.0813   2.8671   2.8291   4.0898   11.191   4.0205   19.567   8.1172   33.404   7.8101 -13.83687 11.26442 
1 1 1   20   20    6 o   11.033   5.2966  -2.9620   2.6573  -1.9494   3.7309  -4.0045   3.7855   14.230   6.6648   12.945   6.2415 1.285554 9.131042 
1 1 1   20   20    7 o   25.293   6.7606   6.2700   2.7349   4.8209   3.8253   7.7855   3.9118   21.843   8.2160   26.816   8.3779 -4.972925 11.73425 
1 1 1   20   20    8 o   16.187   6.6409   1.7523   2.6971   3.8114   3.8094  -0.3175   3.8192   20.166   8.0270   15.529   7.0817 4.636829 10.70432 
1 1 1   20   20    9 o   22.983   6.8823   5.3456   2.6760   12.212   3.7745  -1.5941   3.7944   34.879   7.1365   14.330   6.7146 20.54911 9.798791 
1 1 1   20   20   10 o   17.084   6.7538   2.4542   2.6793  -3.0400   3.7521   8.1709   3.8273   13.164   6.3127   26.889   8.2682 -13.72514 10.40254 
1 1 1   20   20   11 o   26.803   6.6192   7.2415   2.7674   7.8361   3.8925   6.6337   3.9354   25.939   8.3873   23.820   8.4277 2.119686 11.89001 
1 1 1   20   20   12 o   45.631   4.3356   18.256   3.0674   14.565   4.3513   21.903   4.3248   36.749   7.7874   48.047   5.8567 -11.29733 9.743923 
1 1 1   20   20   13 o   14.789   6.4382   1.0210   2.7970   2.2587   3.9166  -0.2673   3.9958   17.441   7.6054   15.206   7.0459 2.235415 10.36760 
1 1 1   20   20   14 o   15.104   6.4325   1.5628   2.6765  -0.1448   3.7047   3.4272   3.8710   14.627   6.7800   18.306   7.7637 -3.678606 10.30739 
1 1 1   20   20   15 o   9.0314   4.4881  -4.5027   2.4664  -3.2977   3.4904  -5.7044   3.4858   11.785   5.7534   10.607   5.2817 1.177730 7.810107 
1 1 1   20   20   16 o   14.172   6.1355   1.5856   2.5112   1.8016   3.5407   1.3671   3.5622   15.188   6.8837   14.804   6.7842 0.3842201 9.664919 
1 1 1   20   21    0 o   26.920   10.143   8.8167   4.0090   8.8167   4.0090   8.8167   4.0090   26.920   10.143   26.920   10.143 0.000000 0.000000 
1 1 1   20   21    1 o   23.241   7.0225   5.3611   2.7770   2.5621   3.8948   8.2553   3.9604   18.793   7.8683   27.647   8.3934 -8.854342 11.50469 
1 1 1   20   21    2 o   24.997   6.9546   6.1987   2.8274   4.9389   4.0032   7.4527   3.9940   22.021   8.3773   26.116   8.4999 -4.094721 11.93432 
1 1 1   20   21    3 o   19.734   7.3268   3.6728   3.0221   3.4853   4.5962   3.8156   4.0112   20.304   8.5272   20.378   8.1942 -0.7374954E-01 11.82621 
1 1 1   20   21    4 o   15.949   6.6569   1.5123   2.7750   2.0802   3.9067   0.9340   3.9424   18.074   7.7364   16.897   7.4890 1.176712 10.76738 
1 1 1   20   21    5 o   34.852   5.3621   11.019   2.8388   9.1770   3.9961   12.896   4.0336   28.864   8.3493   35.637   7.4525 -6.772726 11.19150 
1 1 1   20   21    6 o   14.147   6.2333   0.3628   2.6926   2.9928   3.8021  -2.2834   3.8138   18.867   7.8266   13.855   6.5648 5.012184 10.21534 
1 1 1   20   21    7 o   20.549   7.4499   4.3397   3.0953   8.4879   4.3486   0.0800   4.4067   26.685   8.8783   16.446   7.5402 10.23884 11.64814 
1 1 1   20   21    8 o   19.258   7.4816   3.6399   3.2400  -0.2079   4.4904   7.8184   4.6794   16.224   7.5007   25.044   9.1481 -8.819859 11.82998 
1 1 1   20   21    9 o   18.363   7.2907   3.1642   3.1349   5.6988   4.4360   0.6355   4.4308   22.052   8.6988   16.709   7.6227 5.343721 11.56606 
1 1 1   20   21   10 o   31.093   6.6492   9.7636   3.1461   7.3820   4.2949   12.521   4.6217   24.374   8.7840   32.317   8.8531 -7.942989 12.47141 
1 1 1   20   21   11 o   15.370   6.6475   1.3176   2.9420   2.2521   4.1950   0.4130   4.1270   17.655   7.7795   15.926   7.2999 1.729281 10.66813 
1 1 1   20   21   12 o   19.107   7.0816   3.9334   2.8210   3.9573   4.1091   3.9122   3.8798   19.122   8.0486   19.034   7.9020 0.8757591E-01 11.27921 
1 1 1   20   21   13 o   14.177   6.1954   1.1111   2.6112   4.0524   3.6730  -1.8947   3.7130   18.608   7.7034   13.116   6.2869 5.491934 9.943221 
1 1 1   20   21   14 o   13.942   6.1150   1.2522   2.5645  -0.5911   3.6077   3.1350   3.6462   13.475   6.3850   16.839   7.3406 -3.363894 9.728920 
1 1 1   20   21   15 o   22.753   6.8938   6.4364   2.6735   5.9382   3.6881   6.9881   3.8811   19.715   7.8813   20.914   8.1704 -1.199242 11.35213 
1 1 1   20   22    0 o   16.759   9.8792   4.1579   4.4317   4.1579   4.4317   4.1579   4.4317   16.759   9.8792   16.759   9.8792 0.000000 0.000000 
1 1 1   20   22    1 o   20.400   7.5711   4.2724   3.2265  -1.1402   4.4903   10.050   4.6392   15.632   7.3182   28.776   9.1418 -13.14411 11.71017 
1 1 1   20   22    2 o   18.188   7.4743   2.8022   3.4239   6.2053   5.0027  -0.1963   4.6960   22.853   9.1644   16.550   7.6580 6.303286 11.94279 
1 1 1   20   22    3 f   10.809   5.3885  -7.2949   3.6732  -5.0195   5.0343  -9.8851   5.3713   14.170   6.9161   12.803   6.4030 1.367557 9.425018 
1 1 1   20   22    4 o   32.193   7.2273   10.717   3.5616   13.199   5.0292   8.2204   5.0445   32.873   9.3217   25.226   9.4461 7.647467 13.27115 
1 1 1   20   22    5 o   18.833   7.5987   3.3625   3.4621   2.9315   4.9129   3.7877   4.8796   19.138   8.4264   19.938   8.5918 -0.8001423 12.03426 
1 1 1   20   22    6 o   29.246   7.1875   8.9839   3.2749   1.7487   4.5599   16.692   4.7064   17.731   7.9435   39.295   7.9062 -21.56351 11.20748 
1 1 1   20   22    7 o   20.939   7.5469   4.7767   3.1705   0.9042   4.4890   8.6312   4.4785   16.869   7.6870   26.066   9.0065 -9.196941 11.84093 
1 1 1   20   22    8 o   12.577   5.9614  -1.9124   3.1507  -1.2753   4.4288  -2.5652   4.4831   15.103   7.1318   14.378   6.8965 0.7247152 9.920892 
1 1 1   20   22    9 o   15.563   6.7798   1.3633   3.1062   0.9402   4.4349   1.7707   4.3521   16.590   7.5904   17.220   7.7338 -0.6304283 10.83629 
1 1 1   20   22   10 o   18.440   7.2796   3.5911   3.1089   9.8501   4.4586  -2.3316   4.3372   27.074   8.9895   14.031   6.7439 13.04222 11.23791 
1 1 1   20   22   11 o   18.183   7.2720   3.6922   3.1412   8.3893   4.4938  -0.7955   4.3926   23.905   8.9230   14.715   6.9935 9.190463 11.33704 
1 1 1   20   22   12 f   10.764   5.2409  -2.8355   2.8412  -4.1394   4.1539  -1.6892   3.8948   12.261   6.0438   13.184   6.3505 -0.9239521 8.766834 
1 1 1   20   22   13 f   12.101   5.6841  -0.5322   2.7473   2.2455   3.9071  -3.2487   3.8638   15.667   7.1515   12.020   5.9063 3.647098 9.275144 
1 1 1   20   22   14 o   10.594   5.1473  -2.2025   2.7014  -2.6347   3.7635  -1.7432   3.8800   11.994   5.8804   12.603   6.1334 -0.6088295 8.496972 
1 1 1   20   23    0 o   19.367   10.682   6.2095   4.7180   6.2095   4.7180   6.2095   4.7180   19.367   10.682   19.367   10.682 0.000000 0.000000 
1 1 1   20   23    1 o   10.923   5.3269  -3.8014   2.9697  -0.8281   4.2741  -6.5766   4.1293   15.248   7.1390   11.849   5.8743 3.399291 9.245174 
1 1 1   20   23    2 o   13.322   6.1382  -0.6421   2.9709  -0.1942   4.2750  -1.0606   4.1318   15.702   7.2800   14.874   6.9815 0.8281679 10.08656 
1 1 1   20   23    3 o   21.564   7.3656   5.0998   2.9927   10.493   4.2704  -0.1047   4.1952   29.431   8.6647   15.647   7.2394 13.78467 11.29095 
1 1 1   20   23    4 o   20.777   7.3214   4.7092   2.9676   7.5696   4.2022   1.8633   4.1915   24.505   8.7050   17.290   7.6893 7.214487 11.61476 
1 1 1   20   23    5 o   18.252   6.9703   3.3487   2.7782   3.7747   4.0046   2.9534   3.8575   19.155   7.9961   18.122   7.7202 1.033318 11.11480 
1 1 1   20   23    6 o   18.188   6.8806   3.3699   2.6915   1.4851   3.7678   5.3340   3.8462   16.360   7.2822   21.112   8.1653 -4.751606 10.94085 
1 1 1   20   23    7 o   14.009   6.2279   0.5965   2.7471   1.1857   3.8478  -0.0159   3.9233   16.016   7.2255   15.067   6.9815 0.9488716 10.04735 
1 1 1   20   23    8 o   11.128   5.3312  -2.1337   2.6618  -0.8558   3.8231  -3.3360   3.7083   14.118   6.6542   12.363   6.0120 1.755103 8.967896 
1 1 1   20   23    9 o   9.5735   4.7318  -4.1529   2.6057  -1.5986   3.7177  -6.6195   3.6533   13.210   6.3211   10.568   5.2849 2.641346 8.239265 
1 1 1   20   23   10 o   19.826   6.9623   4.8206   2.6820   8.0983   3.7984   1.5618   3.7874   23.630   8.2865   15.340   7.0169 8.290374 10.85829 
1 1 1   20   23   11 o   12.899   5.8737   0.5139   2.6152   0.4204   3.6906   0.6081   3.7064   14.013   6.5838   14.169   6.6383 -0.1561794 9.349478 
1 1 1   20   23   12 o   15.016   6.3908   2.3939   2.6390   4.6106   3.7795   0.2851   3.6864   17.592   7.5710   13.645   6.4622 3.946428 9.953912 
1 1 1   20   24    0 o   13.381   8.4972   2.1010   3.8832   2.1010   3.8832   2.1010   3.8832   13.381   8.4972   13.381   8.4972 0.000000 0.000000 
1 1 1   20   24    1 o   14.286   6.2766   0.9005   2.7124   1.4614   3.8648   0.3561   3.8077   16.232   7.2892   15.181   6.9782 1.051183 10.09099 
1 1 1   20   24    2 o   21.399   7.0910   5.1566   2.7746   8.2240   3.9272   2.0996   3.9206   25.272   8.4379   16.861   7.4710 8.411148 11.27009 
1 1 1   20   24    3 o   15.875   6.6195   2.1107   2.7401  -0.1385   3.8579   4.4005   3.8924   14.744   6.8628   19.365   7.9649 -4.621807 10.51371 
1 1 1   20   24    4 o   15.291   6.4961   1.7777   2.7180   4.9039   3.8773  -1.2426   3.8110   19.867   8.0324   13.785   6.5406 6.082251 10.35852 
1 1 1   20   24    5 o   15.213   6.4891   1.8099   2.7312   2.9495   3.9482   0.7641   3.7823   17.320   7.5922   15.141   6.9580 2.178388 10.29826 
1 1 1   20   24    6 f   12.557   5.8220  -0.3688   2.7347   1.9741   3.9241  -2.5811   3.8132   16.087   7.2734   12.669   6.1461 3.417343 9.522481 
1 1 1   20   24    7 o   14.103   6.4351   0.8162   3.1595   0.6836   4.7938   0.9181   4.2010   15.389   7.3114   15.127   7.0806 0.2620382 10.17804 
1 1 1   20   24    8 o   13.350   6.1213   0.5475   2.9049   3.3389   4.1209  -2.2098   4.0957   16.747   7.5229   12.865   6.2699 3.881984 9.793205 
1 1 1   20   24    9 o   14.620   6.4427   1.9369   2.8775  -1.2587   4.1138   4.9979   4.0263   13.183   6.3925   18.040   7.7894 -4.856897 10.07660 
1 1 1   20   24   10 o   10.685   5.2106  -2.3652   2.8405  -3.1245   4.0276  -1.6137   4.0066   11.999   5.9218   12.711   6.1964 -0.7115993 8.571071 
1 1 1   20   25    0 o   9.0466   6.4157  -2.8654   3.8217  -2.8654   3.8217  -2.8654   3.8217   9.0466   6.4157   9.0466   6.4157 0.000000 0.000000 
1 1 1   20   25    1 o   11.991   5.6435  -0.7547   2.7317   1.1366   3.9395  -2.5064   3.7913   14.984   6.9611   12.430   6.0522 2.553930 9.224240 
1 1 1   20   25    2 o   11.306   5.4050  -1.5011   2.7053   2.6797   3.8827  -5.4458   3.7714   16.209   7.2902   10.982   5.4725 5.227470 9.115729 
1 1 1   20   25    3 o   14.202   6.2756   1.4776   2.7481   0.8808   3.8628   2.0891   3.9104   14.579   6.8130   15.586   7.1298 -1.007303 9.861634 
1 1 1   20   25    4 o   10.685   5.1762  -2.1678   2.6808  -3.4274   3.7973  -0.9163   3.7851   11.802   5.8102   13.165   6.3202 -1.362665 8.585110 
1 1 1   20   25    5 o   14.280   6.2854   1.7204   2.7312  -0.4070   3.9082   3.7509   3.8183   13.495   6.4637   16.821   7.4166 -3.326521 9.837966 
1 1 1   20   25    6 f   13.542   6.0797   1.2352   2.6869   0.3534   3.7933   2.1231   3.8064   13.748   6.5237   15.102   6.9546 -1.354413 9.535504 
1 1 1   20   25    7 o   17.213   7.1956   4.2400   3.2498   2.9618   4.4045   5.7674   4.8148   15.735   7.3273   17.819   8.0568 -2.084166 10.89041 
1 1 1   20   26    0 o   11.389   7.7939   0.7695   4.4091   0.7695   4.4091   0.7695   4.4091   11.389   7.7939   11.389   7.7939 0.000000 0.000000 
1 1 1   20   26    1 o   16.859   7.1433   4.0982   3.2719   1.4804   4.4398   7.2098   4.8405   14.611   6.9685   18.821   8.3222 -4.210043 10.85444 
1 1 1   20   26    2 o   11.362   5.5764  -2.5532   3.4130  -1.7313   4.8969  -3.3297   4.7596   13.258   6.5404   12.517   6.2229 0.7401819 9.027851 
1 1 1   21    0    1 o  201.805   2.6090  320.333   8.2594  320.333   8.2594  320.333   8.2594  201.805   2.6090  201.805   2.6090 0.000000 0.000000 
1 1 1   21    0    2 o  276.786   2.7581  602.630   11.977  602.630   11.977  602.630   11.977  276.786   2.7581  276.786   2.7581 0.000000 0.000000 
1 1 1   21    0    3 o  159.240   2.6596  199.553   6.6420  199.553   6.6420  199.553   6.6420  159.240   2.6596  159.240   2.6596 0.000000 0.000000 
1 1 1   21    0    4 o  131.571   2.7501  136.329   5.6726  136.329   5.6726  136.329   5.6726  131.571   2.7501  131.571   2.7501 0.000000 0.000000 
1 1 1   21    0    5 o  154.852   4.7350  190.063   11.482  190.063   11.482  190.063   11.482  154.852   4.7350  154.852   4.7350 0.000000 0.000000 
1 1 1   21    0    6 o  114.423   2.5603  103.122   4.5923  103.122   4.5923  103.122   4.5923  114.423   2.5603  114.423   2.5603 0.000000 0.000000 
1 1 1   21    0    7 o   86.897   2.9571   59.650   4.0219   59.650   4.0219   59.650   4.0219   86.897   2.9571   86.897   2.9571 0.000000 0.000000 
1 1 1   21    0    8 o   13.921   8.1868   1.8525   3.0312   1.8525   3.0312   1.8525   3.0312   13.921   8.1868   13.921   8.1868 0.000000 0.000000 
1 1 1   21    0    9 o  150.814   2.3882  179.059   5.6489  179.059   5.6489  179.059   5.6489  150.814   2.3882  150.814   2.3882 0.000000 0.000000 
1 1 1   21    0   10 o   90.032   3.4859   64.269   4.9083   64.269   4.9083   64.269   4.9083   90.032   3.4859   90.032   3.4859 0.000000 0.000000 
1 1 1   21    0   11 o   13.621   8.2232   1.5652   3.2129   1.5652   3.2129   1.5652   3.2129   13.621   8.2232   13.621   8.2232 0.000000 0.000000 
1 1 1   21    0   12 o   56.578   4.1476   25.771   3.6361   25.771   3.6361   25.771   3.6361   56.578   4.1476   56.578   4.1476 0.000000 0.000000 
1 1 1   21    0   13 o   33.545   7.4419   10.271   3.4245   10.271   3.4245   10.271   3.4245   33.545   7.4419   33.545   7.4419 0.000000 0.000000 
1 1 1   21    0   14 o   27.358   8.7544   7.6776   3.3125   7.6776   3.3125   7.6776   3.3125   27.358   8.7544   27.358   8.7544 0.000000 0.000000 
1 1 1   21    0   15 o   37.063   6.2722   11.942   3.3344   11.942   3.3344   11.942   3.3344   37.063   6.2722   37.063   6.2722 0.000000 0.000000 
1 1 1   21    0   16 o   10.837   7.1325  -0.3413   3.0850  -0.3413   3.0850  -0.3413   3.0850   10.837   7.1325   10.837   7.1325 0.000000 0.000000 
1 1 1   21    0   17 o   42.059   5.3719   14.922   3.3876   14.922   3.3876   14.922   3.3876   42.059   5.3719   42.059   5.3719 0.000000 0.000000 
1 1 1   21    0   18 o   45.633   4.8741   17.349   3.3901   17.349   3.3901   17.349   3.3901   45.633   4.8741   45.633   4.8741 0.000000 0.000000 
1 1 1   21    0   19 o  116.414   3.8897  109.192   7.0881  109.192   7.0881  109.192   7.0881  116.414   3.8897  116.414   3.8897 0.000000 0.000000 
1 1 1   21    0   20 o   65.864   4.2061   35.560   4.3063   35.560   4.3063   35.560   4.3063   65.864   4.2061   65.864   4.2061 0.000000 0.000000 
1 1 1   21    0   21 o   29.139   9.2713   9.3684   3.7317   9.3684   3.7317   9.3684   3.7317   29.139   9.2713   29.139   9.2713 0.000000 0.000000 
1 1 1   21    0   22 o   7.3112   5.3132  -6.5063   3.4230  -6.5063   3.4230  -6.5063   3.4230   7.3112   5.3132   7.3112   5.3132 0.000000 0.000000 
1 1 1   21    0   23 o   8.9380   6.2424  -2.3009   3.2110  -2.3009   3.2110  -2.3009   3.2110   8.9380   6.2424   8.9380   6.2424 0.000000 0.000000 
1 1 1   21    0   24 o   20.114   9.0564   5.6481   3.0618   5.6481   3.0618   5.6481   3.0618   20.114   9.0564   20.114   9.0564 0.000000 0.000000 
1 1 1   21    0   25 o   14.297   8.2949   3.2067   3.0429   3.2067   3.0429   3.2067   3.0429   14.297   8.2949   14.297   8.2949 0.000000 0.000000 
1 1 1   21    1    0 o   21.728   10.352   5.5840   4.0327   5.5840   4.0327   5.5840   4.0327   21.728   10.352   21.728   10.352 0.000000 0.000000 
1 1 1   21    1    1 o   87.818   2.3398   60.745   3.2217   58.146   4.5021   63.473   4.6124   85.743   3.3523   89.604   3.2857 -3.861053 4.693989 
1 1 1   21    1    2 o  101.486   2.1555   81.033   3.4329   82.171   4.8537   79.895   4.8559  102.016   3.0352  100.582   3.0800 1.433502 4.324204 
1 1 1   21    1    3 o  200.193   1.8466  315.113   5.8015  321.375   8.2712  309.050   8.1395  201.966   2.6097  198.053   2.6188 3.913635 3.697115 
1 1 1   21    1    4 o   74.973   2.5779   44.341   3.0285   46.844   4.3360   41.956   4.2319   76.870   3.6044   72.715   3.7209 4.155106 5.180480 
1 1 1   21    1    5 f   81.765   2.5317   52.730   3.2446   51.437   5.3679   53.475   4.0728   80.371   4.2713   82.222   3.1623 -1.850945 5.314528 
1 1 1   21    1    6 o   72.053   2.2567   40.923   2.5486   39.717   3.5758   42.168   3.6333   70.813   3.2263   72.979   3.1801 -2.166405 4.530063 
1 1 1   21    1    7 o   57.574   2.7028   26.210   2.4352   27.626   3.4542   24.812   3.4338   58.906   3.7562   55.769   3.9491 3.136944 5.450150 
1 1 1   21    1    8 o  109.300   1.8604   94.006   3.1910   90.847   4.4833   97.249   4.5430  107.287   2.6628  111.016   2.6076 -3.729118 3.726960 
1 1 1   21    1    9 o   82.238   2.1356   53.321   2.7538   50.975   3.8678   55.734   3.9217   80.200   3.0789   83.890   2.9837 -3.689995 4.287406 
1 1 1   21    1   10 o  172.148   2.1187  233.573   5.7238  236.931   7.4369  228.693   8.9648  173.123   2.7373  169.765   3.3650 3.358139 4.337774 
1 1 1   21    1   11 o  105.785   1.9278   88.162   3.2003   91.749   4.5499   84.649   4.5023  107.710   2.6918  103.396   2.7773 4.313766 3.867671 
1 1 1   21    1   12 f   46.584   3.4274   17.356   2.4881   19.010   3.4946   15.655   3.5432   48.391   4.6594   43.662   5.2782 4.729279 7.040525 
1 1 1   21    1   13 o   47.443   3.3552   18.008   2.4819   22.562   3.5734   13.762   3.4499   52.806   4.3507   40.741   5.5393 12.06446 7.043571 
1 1 1   21    1   14 o   44.303   3.4891   15.764   2.4062   16.570   3.4022   14.956   3.4037   44.941   4.9034   42.555   5.2049 2.386120 7.150859 
1 1 1   21    1   15 o   37.024   4.1176   11.170   2.3519   10.499   3.3470   11.824   3.3057   35.039   6.3195   37.455   5.8123 -2.415951 8.585949 
1 1 1   21    1   16 o   41.669   3.7226   14.065   2.4086   12.008   3.4046   16.126   3.4080   37.558   5.9765   44.104   5.0127 -6.546738 7.800375 
1 1 1   21    1   17 o   28.720   5.2526   7.0196   2.2801   4.7493   3.2854   9.1294   3.1671   23.303   7.7159   32.273   6.4786 -8.970324 10.07513 
1 1 1   21    1   18 o   92.480   2.0832   67.842   3.0233   72.378   4.3610   63.644   4.1951   94.979   2.9294   89.005   3.0078 5.973244 4.198552 
1 1 1   21    1   19 o   83.694   3.0632   56.648   4.0164   63.295   6.9551   53.322   4.9197   86.162   5.1675   80.449   3.9085 5.713158 6.479138 
1 1 1   21    1   20 o   67.136   2.8871   36.535   3.0346   37.920   4.3223   35.189   4.2615   67.308   4.1117   64.726   4.2185 2.581985 5.890793 
1 1 1   21    1   21 o   29.990   5.7634   8.2438   2.6140   2.8450   3.6368   14.013   3.7596   18.995   7.7426   38.680   6.4186 -19.68485 10.05712 
1 1 1   21    1   22 o   25.390   6.2613   6.1963   2.4788   6.0934   3.3822   6.3157   3.6436   24.014   7.8223   24.209   8.1283 -0.1947613 11.28083 
1 1 1   21    1   23 o   28.766   5.3052   7.6213   2.3067   4.9698   3.2834   10.206   3.2415   21.573   7.6914   32.100   6.6534 -10.52673 10.16983 
1 1 1   21    1   24 o   21.093   6.1939   4.6236   2.1846   2.9634   3.0978   6.2660   3.0811   17.435   7.1309   23.239   7.4574 -5.804508 10.31807 
1 1 1   21    1   25 o   20.017   6.2229   4.3983   2.1610   5.9568   3.0312   2.7874   3.0817   21.823   7.4136   16.541   6.9666 5.282845 10.17328 
1 1 1   21    2    0 o   57.503   5.3304   26.813   4.7099   26.813   4.7099   26.813   4.7099   57.503   5.3304   57.503   5.3304 0.000000 0.000000 
1 1 1   21    2    1 o   95.744   2.3931   72.169   3.5957   72.460   5.1013   71.882   5.0690   95.714   3.4016   95.333   3.3936 0.3807449 4.804945 
1 1 1   21    2    2 o  138.233   1.9473  150.273   4.2243  154.765   6.0509  146.001   5.9002  140.127   2.7517  136.099   2.7625 4.027786 3.899109 
1 1 1   21    2    3 o   42.320   3.9422   14.306   2.5880   12.688   3.6817   15.886   3.6386   39.316   6.1703   44.307   5.3406 -4.991604 8.160582 
1 1 1   21    2    4 o   78.141   2.4763   48.147   3.0328   45.351   4.2882   50.944   4.2899   75.622   3.6240   80.206   3.4161 -4.583641 4.980261 
1 1 1   21    2    5 o   83.737   2.4210   55.284   3.1781   59.668   5.4900   53.074   3.8975   86.631   4.0494   81.933   3.0365 4.698593 5.061439 
1 1 1   21    2    6 o   96.451   1.9342   73.192   2.9277   73.436   4.1793   72.957   4.1025   96.438   2.7644   96.132   2.7222 0.3064880 3.879680 
1 1 1   21    2    7 o  122.548   1.7703  118.124   3.4045  119.289   4.8194  116.963   4.8100  123.004   2.4967  121.794   2.5166 1.209518 3.544967 
1 1 1   21    2    8 o   33.964   4.3279   9.3348   2.2545   9.0159   3.1952   9.6510   3.1815   32.811   6.4355   34.047   6.1820 -1.236732 8.923711 
1 1 1   21    2    9 o  195.786   1.6492  301.527   5.0671  303.926   7.1645  299.127   7.1675  196.321   2.3255  194.757   2.3451 1.564377 3.302648 
1 1 1   21    2   10 o   35.099   4.6351   10.034   2.4907   9.9192   3.3109   10.185   3.7805   34.368   6.3734   34.562   7.2042 -0.1937675 9.618713 
1 1 1   21    2   11 o   67.147   2.4857   35.666   2.6148   40.673   3.7026   30.685   3.6932   71.493   3.3091   61.926   3.8189 9.566387 5.053150 
1 1 1   21    2   12 o   67.721   2.5313   36.315   2.6854   35.934   3.7691   36.708   3.8270   67.057   3.5948   67.771   3.6115 -0.7145844 5.095592 
1 1 1   21    2   13 o   36.106   4.2710   10.611   2.3732   9.1246   3.3472   12.113   3.3652   32.598   6.7649   38.068   5.8176 -5.469784 8.922297 
1 1 1   21    2   14 o   20.364   6.4795   3.4372   2.3298   0.4450   3.2585   6.5669   3.3326   16.690   7.1024   27.349   7.5279 -10.65907 10.34961 
1 1 1   21    2   15 o   26.406   5.8215   5.9703   2.3474   6.8317   3.3458   5.1353   3.2941   27.778   7.5009   24.364   7.6988 3.414005 10.74870 
1 1 1   21    2   16 o   17.828   6.4158   2.3813   2.2903   0.4505   3.2194   4.3600   3.2591   16.459   7.0335   22.710   7.6875 -6.250957 10.41954 
1 1 1   21    2   17 o   41.925   3.6301   14.271   2.3648   14.594   3.3509   13.950   3.3379   41.669   5.2400   40.667   5.3607 1.002190 7.496295 
1 1 1   21    2   18 o   58.130   2.9487   27.173   2.6812   30.398   3.9972   24.535   3.6150   60.737   4.2199   54.516   4.2593 6.221333 5.995790 
1 1 1   21    2   19 f   47.475   3.9489   18.670   2.9154   20.694   4.5271   17.236   3.8108   48.323   6.1059   44.471   5.5832 3.851646 8.273730 
1 1 1   21    2   20 o   34.424   5.1180   10.375   2.6808   10.547   3.7736   10.200   3.8091   32.866   7.4847   32.145   7.6602 0.7200546 10.70976 
1 1 1   21    2   21 o   18.233   6.6772   2.9451   2.4954   1.7153   3.4054   4.3714   3.6673   17.245   7.2965   21.212   8.0299 -3.966242 10.84980 
1 1 1   21    2   22 o   37.481   4.3297   12.129   2.4999   13.998   3.5306   10.250   3.5403   38.792   5.9927   31.942   7.2315 6.849375 9.391860 
1 1 1   21    2   23 o   25.215   5.9185   6.1207   2.3015   5.7282   3.2990   6.4930   3.2124   22.906   7.7345   24.495   7.5825 -1.589266 10.83134 
1 1 1   21    2   24 o   12.517   5.5249   0.3541   2.1244   0.2190   3.0202   0.4864   2.9887   13.943   6.3346   14.173   6.3833 -0.2300749 8.993010 
1 1 1   21    2   25 o   12.100   5.4464   0.1750   2.1722  -1.9850   3.0349   2.4441   3.1105   11.757   5.6484   16.078   6.8930 -4.320501 8.911706 
1 1 1   21    3    0 o   38.215   8.0847   13.056   4.2652   13.056   4.2652   13.056   4.2652   38.215   8.0847   38.215   8.0847 0.000000 0.000000 
1 1 1   21    3    1 o   96.886   2.6753   74.029   4.0637   76.481   5.7622   71.603   5.7319   98.243   3.7443   95.026   3.8517 3.216415 5.371731 
1 1 1   21    3    2 o   53.682   3.5167   22.879   2.9463   18.377   4.1013   27.680   4.2353   47.631   5.5932   58.834   4.6244 -11.20280 7.257352 
1 1 1   21    3    3 o  140.936   2.0128  156.258   4.4518  159.186   6.0648  152.838   6.5555  142.100   2.7197  139.167   3.0017 2.933075 4.050502 
1 1 1   21    3    4 o   35.759   3.9782   10.259   2.1947   7.3657   3.0563   13.340   3.1535   29.638   6.7259   40.593   5.0599 -10.95497 8.416657 
1 1 1   21    3    5 o   93.932   2.0133   69.428   2.9677   69.523   4.1997   69.333   4.1943   93.820   2.8558   93.692   2.8560 0.1283112 4.038823 
1 1 1   21    3    6 o   77.972   2.2396   47.921   2.7376   46.606   3.8513   49.263   3.8922   76.712   3.2062   78.884   3.1504 -2.172325 4.495011 
1 1 1   21    3    7 o  107.233   1.8791   90.480   3.1622   87.941   4.4297   93.118   4.5155  105.532   2.6769  108.634   2.6487 -3.102867 3.765827 
1 1 1   21    3    8 o  101.060   1.9503   80.402   3.0931   82.831   4.3877   78.002   4.3610  102.377   2.7335   99.328   2.8005 3.048981 3.913426 
1 1 1   21    3    9 o   67.569   2.4612   36.077   2.6054   36.844   3.6672   35.295   3.7023   68.058   3.4447   66.579   3.5564 1.479248 4.951157 
1 1 1   21    3   10 o   75.608   2.4694   45.185   2.9261   43.645   3.8337   47.334   4.5290   74.093   3.3054   77.022   3.7583 -2.928963 5.005087 
1 1 1   21    3   11 o  111.467   1.9129   97.895   3.3461   91.045   4.6299  105.385   4.8414  107.225   2.7538  115.426   2.6727 -8.201019 3.837547 
1 1 1   21    3   12 o   67.193   2.5492   35.762   2.6831   35.500   3.7712   36.030   3.8182   66.630   3.6203   67.120   3.6386 -0.4901962 5.132800 
1 1 1   21    3   13 o   78.116   2.3289   48.274   2.8517   48.223   4.0284   48.324   4.0375   77.754   3.3090   77.834   3.3131 -0.7946777E-01 4.682484 
1 1 1   21    3   14 o   46.050   3.4574   17.026   2.4803   17.511   3.5056   16.541   3.5098   46.183   4.9122   44.803   5.0815 1.379871 7.067620 
1 1 1   21    3   15 o   25.573   5.9291   5.6237   2.3330   1.6997   3.2586   9.7509   3.3419   18.324   7.3795   33.599   6.5736 -15.27518 9.882738 
1 1 1   21    3   16 o   31.518   4.8305   8.2957   2.3132   5.6842   3.2096   11.119   3.3369   25.276   7.5297   35.997   6.1263 -10.72055 9.707135 
1 1 1   21    3   17 o   72.059   2.4894   41.335   2.8109   43.875   4.1448   39.172   3.8248   73.675   3.5958   69.654   3.5104 4.021233 5.025209 
1 1 1   21    3   18 o   24.194   6.3466   5.2683   2.4392   6.4064   3.5336   4.2325   3.3712   26.059   7.9317   21.993   7.7984 4.065214 11.12327 
1 1 1   21    3   19 o   24.460   6.6018   5.5518   2.5925   4.3532   3.5245   6.9649   3.8269   21.885   7.9475   26.481   8.2885 -4.596094 11.48316 
1 1 1   21    3   20 o   25.836   6.5023   6.3053   2.6339   8.7323   3.6747   3.7408   3.7774   29.466   7.8186   20.633   8.0604 8.833054 11.22946 
1 1 1   21    3   21 o   17.590   6.5429   2.6626   2.4121   0.8787   3.3975   4.4756   3.4252   16.203   7.0740   21.299   7.8191 -5.096905 10.54423 
1 1 1   21    3   22 o   10.828   5.1278  -1.9794   2.3213  -2.4661   3.2820  -1.4921   3.2836   12.757   6.0579   13.525   6.3077 -0.7680702 8.745581 
1 1 1   21    3   23 f   21.207   6.4224   4.5158   2.3208   3.3698   3.3583   5.5634   3.2109   18.833   7.5234   22.577   7.6305 -3.744110 10.71566 
1 1 1   21    3   24 o   16.259   6.1594   2.5595   2.1587   2.7691   3.0710   2.3548   3.0351   17.002   7.0418   16.408   6.9124 0.5941582 9.867532 
1 1 1   21    3   25 o   19.602   6.2409   4.2518   2.1611   3.6920   3.0200   4.8392   3.0939   17.774   7.1229   19.598   7.3852 -1.823273 10.26045 
1 1 1   21    4    0 o   26.078   10.877   7.7136   4.4494   7.7136   4.4494   7.7136   4.4494   26.078   10.877   26.078   10.877 0.000000 0.000000 
1 1 1   21    4    1 o   28.483   6.7615   6.8026   2.9768   6.3178   4.1637   7.3094   4.2575   27.710   8.6414   29.504   8.6423 -1.794422 12.22140 
1 1 1   21    4    2 o  175.211   1.9927  241.498   5.4791  244.305   8.0693  239.098   7.4633  175.968   2.9221  174.143   2.7310 1.824829 3.999611 
1 1 1   21    4    3 o   97.454   2.1722   74.754   3.3221   76.057   4.8829   73.632   4.5330   98.075   3.1768   96.538   2.9957 1.536453 4.366498 
1 1 1   21    4    4 o   95.556   2.0724   71.859   3.1078   72.945   4.4517   70.826   4.3405   96.083   2.9559   94.683   2.9247 1.400223 4.158241 
1 1 1   21    4    5 o  132.162   1.8151  137.382   3.7646  129.846   5.1163  146.280   5.5591  128.338   2.5403  136.202   2.6008 -7.864212 3.635607 
1 1 1   21    4    6 o  142.914   1.7218  160.627   3.8617  160.529   5.4508  160.726   5.4717  142.707   2.4339  142.793   2.4418 -0.8586121E-01 3.447666 
1 1 1   21    4    7 o   56.562   2.7474   25.319   2.4314   25.023   3.4358   25.617   3.4412   55.979   3.9362   56.652   3.8943 -0.6734734 5.537084 
1 1 1   21    4    8 o   51.230   3.0641   20.840   2.4521   16.992   3.4434   24.798   3.4927   45.809   4.8642   55.673   4.0249 -9.863953 6.313502 
1 1 1   21    4    9 o   67.854   2.5130   36.400   2.6714   34.942   3.7478   37.906   3.8087   66.211   3.6207   68.996   3.5293 -2.785355 5.056207 
1 1 1   21    4   10 o   13.722   5.8763   0.0293   2.2558  -0.5998   3.1591   0.6838   3.2222   15.353   6.7585   17.093   7.1567 -1.740558 9.843557 
1 1 1   21    4   11 o   19.515   6.5342   3.0045   2.3548   6.8548   3.3200  -0.8936   3.3405   28.155   7.4135   15.445   6.8668 12.70979 10.10506 
1 1 1   21    4   12 o   89.721   2.1310   63.530   3.0005   66.341   4.2386   60.706   4.2480   91.394   2.9592   87.369   3.1032 4.024643 4.287949 
1 1 1   21    4   13 o   37.978   4.1604   11.716   2.4390   14.690   3.4610   8.7809   3.4376   42.145   5.3537   31.819   7.0681 10.32574 8.866802 
1 1 1   21    4   14 o   30.499   5.1493   7.7772   2.3769   5.6350   3.3129   10.050   3.4123   25.413   7.6685   34.179   6.6008 -8.766232 10.11812 
1 1 1   21    4   15 o   62.427   2.7302   31.022   2.6682   32.232   3.8309   29.882   3.7184   63.180   3.8825   60.810   3.9173 2.370281 5.515399 
1 1 1   21    4   16 o   51.040   3.3378   20.966   2.6588   23.115   3.8754   19.055   3.6547   52.964   4.7117   47.945   4.9274 5.018162 6.817567 
1 1 1   21    4   17 o   36.920   4.5482   11.334   2.5795   16.133   3.6792   6.6947   3.6176   43.617   5.4971   26.923   7.9876 16.69341 9.696342 
1 1 1   21    4   18 o   29.268   5.7164   7.5295   2.5314   7.4256   3.5622   7.6356   3.5978   27.925   7.8198   28.308   7.8334 -0.3828278 11.06850 
1 1 1   21    4   19 o   12.832   5.8143  -0.8037   2.5236   0.5212   3.4589  -2.3117   3.6902   16.346   7.1372   14.162   6.6313 2.184700 9.742414 
1 1 1   21    4   20 o   12.408   5.6289  -0.7144   2.3736   0.5342   3.3583  -1.9607   3.3552   15.928   6.9915   13.536   6.3334 2.391863 9.433628 
1 1 1   21    4   21 o   14.019   6.0364   0.5800   2.4051  -1.0314   3.3706   2.2514   3.4329   14.194   6.5394   17.894   7.4312 -3.700098 9.898777 
1 1 1   21    4   22 o   12.286   5.5336  -0.3800   2.2460   0.6258   3.3338  -1.2159   3.0393   15.612   6.9049   13.235   6.1369 2.377330 9.237917 
1 1 1   21    4   23 o   14.845   6.1599   1.4267   2.3560  -1.8687   3.5600   3.9948   3.1427   13.463   6.3682   19.650   7.4347 -6.187409 9.789225 
1 1 1   21    4   24 o   15.165   6.0719   2.0193   2.1925   1.4199   3.0810   2.6343   3.1207   15.180   6.6789   16.733   7.0268 -1.552409 9.694505 
1 1 1   21    5    0 o   64.586   4.1549   33.320   4.1707   33.320   4.1707   33.320   4.1707   64.586   4.1549   64.586   4.1549 0.000000 0.000000 
1 1 1   21    5    1 f  136.079   2.0128  145.693   4.2983  144.033   6.1233  147.305   6.0350  135.108   2.8880  136.653   2.8142 -1.545135 4.032401 
1 1 1   21    5    2 o  126.914   2.0423  126.747   4.0676  130.827   5.8058  122.814   5.7005  128.761   2.8732  124.746   2.9119 4.015030 4.090814 
1 1 1   21    5    3 o  159.112   1.9357  199.171   4.8333  196.177   6.7956  202.236   6.8758  157.702   2.7459  160.122   2.7363 -2.419861 3.876529 
1 1 1   21    5    4 o  117.877   2.1128  109.383   3.9083  115.086   5.6081  103.998   5.4497  120.721   2.9602  114.702   3.0302 6.019516 4.236171 
1 1 1   21    5    5 o  128.646   1.9065  130.220   3.8490  128.193   5.4359  132.258   5.4508  127.458   2.7177  129.472   2.6827 -2.014359 3.818733 
1 1 1   21    5    6 o  121.010   1.9285  115.250   3.6623  111.442   5.0933  119.327   5.2697  118.813   2.7317  122.945   2.7313 -4.131721 3.862910 
1 1 1   21    5    7 o   45.748   3.5265   16.697   2.5122   18.075   3.5419   15.300   3.5639   47.279   4.8420   43.312   5.3575 3.967884 7.221384 
1 1 1   21    5    8 o   74.320   2.5035   43.647   2.9157   40.017   4.0811   47.431   4.1670   70.867   3.6823   77.240   3.4465 -6.372452 5.043563 
1 1 1   21    5    9 o   29.626   5.3230   7.2843   2.3838   4.0124   3.2327   11.184   3.5292   22.540   7.6561   36.526   6.3897 -13.98629 9.972116 
1 1 1   21    5   10 o   47.357   3.3845   17.909   2.4987   17.718   3.5216   18.103   3.5459   46.669   4.8806   47.187   4.8578 -0.5176010 6.886115 
1 1 1   21    5   11 o   67.629   2.5622   36.225   2.7143   37.654   3.7872   34.716   3.8923   68.670   3.5262   65.842   3.7829 2.827553 5.171486 
1 1 1   21    5   12 o   41.025   3.8142   13.569   2.4275   12.402   3.4226   14.750   3.4435   38.520   5.8452   42.284   5.3059 -3.763905 7.894211 
1 1 1   21    5   13 o  117.189   1.9023  108.323   3.4985  107.941   4.9299  108.711   4.9657  116.678   2.6924  117.089   2.7024 -0.4109802 3.814716 
1 1 1   21    5   14 o   51.659   3.2035   21.358   2.5842   21.386   3.6342   21.329   3.6755   51.181   4.5728   51.086   4.6351 0.9518814E-01 6.511143 
1 1 1   21    5   15 o   32.878   5.0951   9.0460   2.5439   8.5969   3.6305   9.4791   3.5655   31.026   7.5330   32.789   7.1327 -1.763075 10.37413 
1 1 1   21    5   16 o   47.631   3.6680   18.382   2.7206   14.039   3.8369   22.774   3.8582   40.375   6.2581   52.518   4.7320 -12.14362 7.845759 
1 1 1   21    5   17 o   17.978   6.6404   2.4279   2.4766  -3.0313   3.4838   8.0060   3.5215   13.472   6.3505   29.462   7.5749 -15.98990 9.884724 
1 1 1   21    5   18 o   27.753   6.0026   6.8885   2.5381   5.0190   3.5512   8.8409   3.6290   23.255   8.0208   30.513   7.6060 -7.257805 11.05368 
1 1 1   21    5   19 o   30.373   5.4463   8.1702   2.5006   6.9953   3.4939   9.4040   3.5805   26.553   7.8428   31.201   7.4212 -4.648401 10.79739 
1 1 1   21    5   20 o   17.847   6.5956   2.7270   2.4439   1.6130   3.4422   3.8594   3.4704   17.267   7.3220   20.476   7.7975 -3.209652 10.69635 
1 1 1   21    5   21 o   12.602   5.6782  -0.4197   2.3674   0.6238   3.3065  -1.5174   3.3912   15.687   6.9096   13.781   6.4215 1.905118 9.432818 
1 1 1   21    5   22 o   23.541   6.1028   5.3539   2.2731   5.3460   3.2280   5.3617   3.2013   22.490   7.6504   22.537   7.6191 -0.4731941E-01 10.79720 
1 1 1   21    5   23 o   16.317   6.5440   2.2524   2.5512  -1.0447   3.6356   5.4511   3.5809   14.100   6.5958   21.714   7.9909 -7.613813 10.36143 
1 1 1   21    5   24 o   28.812   5.3179   8.0898   2.3159   5.6937   3.3893   10.188   3.1719   21.158   7.7762   30.567   6.7890 -9.409311 10.32277 
1 1 1   21    6    0 o   20.941   9.0810   5.0274   3.0823   5.0274   3.0823   5.0274   3.0823   20.941   9.0810   20.941   9.0810 0.000000 0.000000 
1 1 1   21    6    1 o  101.767   1.9629   81.488   3.1347   82.038   4.4284   80.936   4.4380  101.932   2.7710  101.239   2.7961 0.6932983 3.936531 
1 1 1   21    6    2 o  182.776   1.7734  262.733   5.0868  260.247   7.1852  265.230   7.2024  181.696   2.5199  183.434   2.5020 -1.737427 3.551059 
1 1 1   21    6    3 o   70.568   2.5470   39.316   2.8160   38.554   3.9996   40.065   3.9655   69.650   3.6722   71.030   3.5690 -1.380180 5.120836 
1 1 1   21    6    4 o  124.405   1.9911  121.813   3.8873  124.305   5.7739  119.747   5.2573  125.444   2.9330  123.181   2.7196 2.263710 3.999851 
1 1 1   21    6    5 o   70.701   2.7479   39.524   3.0431   37.491   4.2905   41.582   4.3168   68.560   4.0052   72.267   3.8199 -3.707207 5.534733 
1 1 1   21    6    6 o  126.531   2.0540  126.088   4.0786  128.368   5.8586  123.944   5.6815  127.428   2.9297  125.225   2.8911 2.203033 4.116020 
1 1 1   21    6    7 o   36.935   4.4482   11.050   2.5264   9.1794   3.6754   12.725   3.4785   32.799   7.3258   39.270   5.8204 -6.471706 9.356528 
1 1 1   21    6    8 o  120.148   1.9494  113.704   3.6755  115.113   5.2027  112.299   5.1932  120.663   2.7476  119.169   2.7769 1.493507 3.906481 
1 1 1   21    6    9 o  114.871   1.9883  103.983   3.5843  106.615   5.0602  101.332   5.0778  116.080   2.7778  113.103   2.8632 2.977150 3.989210 
1 1 1   21    6   10 o   50.813   3.3108   20.604   2.6257   20.271   3.7292   20.931   3.6976   49.939   4.8182   50.796   4.6915 -0.8574562 6.724979 
1 1 1   21    6   11 o   16.023   6.3930   1.2188   2.4220   3.6845   3.4431  -1.1966   3.4078   22.002   7.8726   15.256   6.8482 6.745689 10.43437 
1 1 1   21    6   12 o   82.583   2.4267   53.993   3.1416   53.363   4.4834   54.600   4.4034   81.708   3.5047   82.695   3.4004 -0.9871674 4.883187 
1 1 1   21    6   13 o   56.924   3.2920   25.925   2.9283   23.549   4.3589   27.879   3.9532   53.446   5.2653   58.636   4.3266 -5.189522 6.814906 
1 1 1   21    6   14 o   71.683   2.8976   40.943   3.2529   40.074   4.6398   41.783   4.5617   70.319   4.2241   71.894   4.0598 -1.574921 5.858697 
1 1 1   21    6   15 o   46.179   3.9106   17.321   2.8074   18.686   3.9137   15.875   4.0293   47.292   5.3683   43.161   6.1202 4.131512 8.140980 
1 1 1   21    6   16 o   37.173   4.7528   11.518   2.7092   12.389   3.5085   10.231   4.2639   37.893   6.1075   33.207   8.2253 4.685703 10.24485 
1 1 1   21    6   17 o   58.574   3.0772   27.645   2.8187   26.001   3.9450   29.360   4.0287   55.955   4.5314   59.614   4.3360 -3.659096 6.271739 
1 1 1   21    6   18 o   47.003   3.6812   18.173   2.6937   15.864   3.7701   20.580   3.8501   42.494   5.8051   49.058   5.0742 -6.563843 7.710152 
1 1 1   21    6   19 o   43.825   3.9229   16.046   2.6694   20.085   3.7691   11.981   3.7812   48.133   5.0657   35.549   7.0271 12.58435 8.662624 
1 1 1   21    6   20 o   14.366   6.0500   0.8901   2.3236   2.4497   3.4098  -0.4621   3.1750   18.241   7.4733   14.414   6.5272 3.826805 9.922441 
1 1 1   21    6   21 o   21.532   6.2935   4.4792   2.2599   4.6073   3.2199   4.3548   3.1726   21.330   7.6153   20.881   7.5463 0.4492607 10.72101 
1 1 1   21    6   22 o   12.905   5.6657   0.2232   2.2064  -3.8590   3.0895   4.4726   3.1522   11.297   5.4923   20.789   7.5207 -9.492056 9.312752 
1 1 1   21    6   23 o   19.459   6.8459   4.0328   2.5939   3.8905   3.6677   4.1752   3.6691   19.063   7.7733   19.451   7.8316 -0.3888969 11.03445 
1 1 1   21    6   24 o   18.532   6.4278   3.8029   2.2820   6.5065   3.3859   1.5530   3.0889   22.327   7.8241   15.086   6.6604 7.240506 10.27511 
1 1 1   21    7    0 o   87.408   3.0142   60.372   4.1234   60.372   4.1234   60.372   4.1234   87.408   3.0142   87.408   3.0142 0.000000 0.000000 
1 1 1   21    7    1 o  131.235   1.7769  135.469   3.6594  131.008   5.1105  140.164   5.2425  128.895   2.5265  133.329   2.5056 -4.433395 3.558235 
1 1 1   21    7    2 o   56.746   2.8422   25.491   2.5230   27.917   3.5783   23.092   3.5578   59.175   3.8746   53.705   4.2562 5.470413 5.755672 
1 1 1   21    7    3 o  187.502   1.6713  276.487   4.9178  280.662   6.9673  272.343   6.9424  188.702   2.3528  185.875   2.3800 2.827118 3.346646 
1 1 1   21    7    4 o   60.599   2.7829   29.063   2.6394   30.360   3.6574   27.654   3.8127   61.715   3.7947   58.797   4.1590 2.918179 5.630028 
1 1 1   21    7    5 o   43.781   3.8241   15.347   2.6010   17.808   3.7282   13.013   3.6306   46.825   5.1589   39.685   6.0182 7.140152 7.926729 
1 1 1   21    7    6 o   32.825   4.9938   8.8341   2.4914   9.5411   3.5699   8.1627   3.4787   33.539   7.0087   30.909   7.2908 2.630487 10.11318 
1 1 1   21    7    7 o   69.126   2.6112   37.803   2.8275   35.796   3.9929   39.822   4.0044   66.950   3.8162   70.686   3.6220 -3.735321 5.261437 
1 1 1   21    7    8 o   97.935   2.1634   75.636   3.3249   75.853   4.7767   75.432   4.6309   97.765   3.1174   97.524   3.0295 0.2409439 4.346965 
1 1 1   21    7    9 o   42.385   4.0452   14.484   2.6580   17.955   3.8276   11.250   3.6940   46.815   5.3034   36.437   6.7072 10.37740 8.550552 
1 1 1   21    7   10 o   51.413   3.2555   21.095   2.6131   19.386   3.7916   22.641   3.6063   48.709   5.0327   52.920   4.3817 -4.210987 6.672934 
1 1 1   21    7   11 o   89.069   2.4155   62.782   3.3732   61.871   4.9714   63.559   4.5919   87.961   3.6092   89.300   3.2823 -1.338425 4.878462 
1 1 1   21    7   12 o  100.133   2.3634   79.315   3.7138   80.618   5.3504   78.102   5.1592  100.466   3.3985   98.920   3.3282 1.546303 4.756719 
1 1 1   21    7   13 o  106.844   2.2934   90.321   3.8453   87.896   5.5156   92.614   5.3636  104.854   3.3563  107.738   3.1758 -2.883743 4.620689 
1 1 1   21    7   14 o   45.831   4.2779   17.140   3.0412   17.203   4.1973   17.071   4.4127   45.060   6.0915   44.674   6.4834 0.3857727 8.896146 
1 1 1   21    7   15 o   40.223   4.5334   13.356   2.8118   14.282   4.0352   12.483   3.9202   40.579   6.5604   37.713   6.8772 2.866112 9.504426 
1 1 1   21    7   16 o   72.925   2.7965   42.532   3.1945   39.015   4.5618   45.916   4.4748   69.002   4.2331   75.177   3.8054 -6.174644 5.692114 
1 1 1   21    7   17 o   20.524   6.9309   3.6968   2.6491   4.8510   3.7666   2.5670   3.7265   23.127   8.2388   19.607   7.8932 3.520224 11.40964 
1 1 1   21    7   18 f   62.655   3.1169   31.887   3.0550   31.462   4.3074   32.317   4.3337   61.106   4.5239   61.968   4.4867 -0.8624229 6.371541 
1 1 1   21    7   19 o   18.632   6.7462   3.0529   2.5370   0.9562   3.7446   4.8320   3.4493   17.020   7.4289   22.212   7.8871 -5.191931 10.83488 
1 1 1   21    7   20 o   40.895   4.0320   14.191   2.5540   12.239   3.5916   16.187   3.6326   35.798   6.6375   42.298   5.6108 -6.499542 8.691276 
1 1 1   21    7   21 o   25.837   6.0453   6.3613   2.4074   3.7524   3.3772   9.0563   3.4325   19.820   7.6552   29.716   7.3913 -9.895483 10.64110 
1 1 1   21    7   22 o   15.766   6.2985   1.9314   2.3539   4.9933   3.4061  -0.8677   3.2566   21.436   7.8087   13.788   6.3790 7.647946 10.08302 
1 1 1   21    7   23 o   25.691   6.0538   6.7291   2.4004   7.9336   3.1940   5.1659   3.6386   26.282   7.4206   20.536   7.9421 5.745871 10.86935 
1 1 1   21    7   24 o   16.946   6.5204   3.1325   2.4435   1.1687   3.5879   4.8311   3.3369   15.019   6.8547   19.365   7.5727 -4.346246 10.21434 
1 1 1   21    8    0 o  123.964   2.5992  121.082   5.0513  121.082   5.0513  121.082   5.0513  123.964   2.5992  123.964   2.5992 0.000000 0.000000 
1 1 1   21    8    1 o  131.869   1.7967  136.823   3.7181  138.796   5.2790  134.881   5.2377  132.636   2.5362  130.747   2.5527 1.888550 3.598439 
1 1 1   21    8    2 o  104.916   1.9468   86.654   3.2054   83.311   4.5215   90.031   4.5448  102.652   2.8094  106.741   2.7153 -4.089005 3.907150 
1 1 1   21    8    3 o   64.705   2.6108   33.104   2.6456   29.377   3.7069   36.973   3.7769   60.654   3.9154   68.175   3.5424 -7.521114 5.280049 
1 1 1   21    8    4 o   17.799   6.3809   2.2382   2.2631  -0.2594   3.1950   4.7528   3.2059   15.895   6.9008   24.026   7.5954 -8.130781 10.26210 
1 1 1   21    8    5 o  101.865   2.0122   81.738   3.2167   83.767   4.5851   79.772   4.5140  102.883   2.8426  100.390   2.8682 2.492813 4.038174 
1 1 1   21    8    6 o   40.601   3.8102   13.236   2.3993   12.835   3.3837   13.642   3.4026   39.455   5.6239   40.752   5.4576 -1.297085 7.836658 
1 1 1   21    8    7 o   85.329   2.3121   57.503   3.0933   59.989   4.4447   55.167   4.3076   86.879   3.2659   83.298   3.3018 3.581177 4.644132 
1 1 1   21    8    8 o   46.574   3.6230   17.376   2.6272   16.483   3.7517   18.236   3.6802   44.779   5.4509   47.280   5.0376 -2.500866 7.422255 
1 1 1   21    8    9 o   64.502   3.3554   33.184   3.3848   30.441   5.2950   35.080   4.4014   60.891   5.6041   65.995   4.2728 -5.104706 7.047166 
1 1 1   21    8   10 o   52.746   3.6672   22.321   3.0166   16.376   4.2151   28.563   4.3191   44.186   6.2532   59.311   4.6783 -15.12461 7.809553 
1 1 1   21    8   11 o   43.697   4.4899   15.557   3.0351   19.783   4.2548   11.178   4.3309   48.836   5.6561   35.584   7.9555 13.25182 9.761245 
1 1 1   21    8   12 o  111.142   2.5339   97.891   4.4196   96.424   5.7497  100.008   6.9092  109.860   3.3389  111.485   3.9554 -1.625336 5.176278 
1 1 1   21    8   13 f   12.762   5.7970  -1.2251   2.5276  -2.7890   3.5575   0.3691   3.5919   14.050   6.5567   17.206   7.3926 -3.156499 9.881294 
1 1 1   21    8   14 o   26.954   6.2202   6.3294   2.5777   6.0394   3.6920   6.6052   3.6005   25.963   8.1433   27.047   7.9544 -1.084185 11.38352 
1 1 1   21    8   15 o   66.376   2.9689   35.285   3.0847   43.859   4.2949   26.150   4.4332   73.594   3.7310   56.006   5.1000 17.58874 6.319021 
1 1 1   21    8   16 o   18.124   6.6884   2.5083   2.5116   2.3601   3.5950   2.6496   3.5103   19.334   7.7634   19.641   7.7410 -0.3073235 10.96328 
1 1 1   21    8   17 o   12.126   5.5477  -1.1178   2.3682  -2.4147   3.3707   0.1464   3.3281   13.474   6.3185   15.808   6.9487 -2.333625 9.391902 
1 1 1   21    8   18 o   23.518   6.2778   5.1419   2.3603   9.0905   3.3943   1.4454   3.2842   30.799   7.1593   17.058   7.1885 13.74087 10.14544 
1 1 1   21    8   19 o   14.163   6.0101   0.7437   2.3220  -4.9863   3.3006   6.3581   3.2672   11.327   5.5437   25.004   7.6299 -13.67745 9.431269 
1 1 1   21    8   20 o   18.238   6.5060   3.0478   2.3497  -0.2053   3.3872   6.0653   3.2622   14.934   6.7544   24.103   7.6669 -9.169048 10.21780 
1 1 1   21    8   21 o   14.271   6.0485   0.9392   2.3468   0.4944   3.3872   1.3500   3.2546   15.487   6.8982   16.260   7.0119 -0.7729235 9.836247 
1 1 1   21    8   22 o   17.926   6.5130   3.1459   2.3674   3.6401   3.3781   2.6689   3.3186   18.981   7.5578   17.580   7.3040 1.401484 10.51039 
1 1 1   21    8   23 o   15.662   6.2809   2.2713   2.3500   1.4157   3.3280   3.1221   3.3187   15.348   6.8369   17.366   7.2663 -2.018092 9.977119 
1 1 1   21    9    0 o   62.329   3.9167   31.058   3.7960   31.058   3.7960   31.058   3.7960   62.329   3.9167   62.329   3.9167 0.000000 0.000000 
1 1 1   21    9    1 o   22.853   6.3157   4.3851   2.3404   6.2015   3.2990   2.5447   3.3208   26.980   7.5145   20.117   7.6353 6.863039 10.71285 
1 1 1   21    9    2 o  111.030   1.9155   97.068   3.3375   95.536   4.7220   98.598   4.7178  109.950   2.7367  111.711   2.6911 -1.761238 3.838204 
1 1 1   21    9    3 o   50.064   3.1935   19.941   2.4959   16.516   3.4778   23.579   3.5840   45.074   5.0007   54.182   4.2491 -9.108013 6.562123 
1 1 1   21    9    4 o   63.964   2.8155   32.423   2.8192   29.513   3.6708   36.607   4.4021   60.751   3.8704   67.586   4.1708 -6.835190 5.689951 
1 1 1   21    9    5 o   32.370   4.8708   8.5995   2.3977   2.9391   3.4166   14.092   3.3656   20.842   7.7802   41.465   5.2927 -20.62269 9.409823 
1 1 1   21    9    6 o   95.849   2.0940   72.437   3.1498   76.486   4.5065   68.569   4.4042   98.223   2.9269   92.964   3.0229 5.258781 4.207649 
1 1 1   21    9    7 o   55.537   3.1802   24.566   2.7601   26.145   4.0265   23.166   3.7909   56.870   4.5495   53.509   4.5579 3.361179 6.439909 
1 1 1   21    9    8 o  112.376   2.0955   99.630   3.6954  106.531   5.3239   93.213   5.1336  115.866   2.9303  108.339   3.0224 7.527687 4.209716 
1 1 1   21    9    9 o   28.480   6.9075   7.0155   3.0551   13.372   4.5029   1.5935   4.1588   39.271   7.5813   19.944   8.2211 19.32626 11.18309 
1 1 1   21    9   10 o   44.684   4.2672   16.203   2.9560   16.155   3.8720   16.270   4.5765   44.046   5.7380   43.663   6.9087 0.3830948 8.980810 
1 1 1   21    9   11 o   91.251   2.5316   66.026   3.6218   70.127   5.1414   61.987   5.1027   93.598   3.5065   87.887   3.7080 5.710457 5.103456 
1 1 1   21    9   12 o   33.176   5.8670   9.3494   2.9429   9.7315   4.1065   8.9461   4.2195   32.920   8.0231   31.413   8.3977 1.507021 11.61428 
1 1 1   21    9   13 o   34.440   5.5655   10.032   2.9055   5.6192   4.0956   14.503   4.1224   25.373   8.6175   40.991   6.6351 -15.61715 10.87597 
1 1 1   21    9   14 f   23.163   6.8654   4.7275   2.6736   7.7394   3.9799   2.2503   3.6093   28.933   8.3211   19.478   7.7933 9.455334 11.40069 
1 1 1   21    9   15 o   62.972   2.9833   31.828   2.9398   34.643   4.2185   29.170   4.0991   65.031   4.1553   59.487   4.4226 5.544395 6.068405 
1 1 1   21    9   16 o   33.930   4.7961   9.7737   2.4826   12.990   3.5251   6.6085   3.4970   38.411   6.0478   26.334   7.8633 12.07757 9.920017 
1 1 1   21    9   17 o   26.160   5.9456   6.1997   2.3853   10.860   3.3659   1.4980   3.3807   34.486   6.4567   17.401   7.3110 17.08455 9.753933 
1 1 1   21    9   18 o   49.309   3.6168   20.160   2.7793   25.517   3.7315   13.485   4.1651   54.845   4.3717   37.273   7.3820 17.57241 8.579344 
1 1 1   21    9   19 o   35.577   4.4267   10.926   2.4182   10.252   3.4354   11.588   3.4044   32.398   6.9642   35.006   6.4342 -2.608391 9.481516 
1 1 1   21    9   20 o   28.678   5.4594   7.5487   2.3673   8.5811   3.3463   6.5144   3.3493   28.936   7.3547   24.763   7.7545 4.173506 10.68761 
1 1 1   21    9   21 o   19.025   6.4700   3.5404   2.3088   0.4181   3.2526   6.7111   3.2778   15.077   6.7348   24.863   7.6528 -9.786104 10.19424 
1 1 1   21    9   22 o   11.686   5.3582  -0.5473   2.2260   2.2296   3.1365  -3.3651   3.1596   16.535   6.9994   11.455   5.5657 5.079704 8.942542 
1 1 1   21    9   23 o   22.305   6.1681   5.3725   2.2315   5.3340   3.1726   5.4102   3.1393   20.494   7.5250   20.672   7.5016 -0.1775436 10.62542 
1 1 1   21   10    0 o   18.185   9.1950   3.9842   3.2575   3.9842   3.2575   3.9842   3.2575   18.185   9.1950   18.185   9.1950 0.000000 0.000000 
1 1 1   21   10    1 o   58.501   2.8546   27.145   2.6128   28.760   3.6918   25.525   3.6982   59.932   3.9473   56.367   4.2112 3.565838 5.771947 
1 1 1   21   10    2 o   65.680   2.5963   34.143   2.6707   38.806   3.8662   29.886   3.6937   69.777   3.5423   61.116   3.8711 8.661350 5.247263 
1 1 1   21   10    3 o   82.832   2.3636   54.204   3.0693   56.532   4.2045   51.548   4.4909   84.362   3.1816   80.426   3.5671 3.936432 4.779794 
1 1 1   21   10    4 o   55.856   3.8244   24.989   3.3320   25.847   4.4377   23.882   5.0449   56.384   5.0693   53.771   6.0855 2.613220 7.920296 
1 1 1   21   10    5 o   75.973   2.9323   45.806   3.4895   49.041   4.7332   41.954   5.1649   78.293   3.8643   72.114   4.5876 6.179268 5.998254 
1 1 1   21   10    6 o   76.068   3.0147   45.972   3.5916   46.536   4.6713   45.157   5.6170   76.210   3.9190   74.675   4.8189 1.534676 6.211318 
1 1 1   21   10    7 o   55.895   3.4688   24.982   3.0277   28.851   4.3355   21.300   4.2301   59.645   4.6691   50.920   5.3746 8.725052 7.119465 
1 1 1   21   10    8 o   38.456   4.5009   12.069   2.6649   10.782   3.7463   13.387   3.7917   35.398   6.9921   39.858   6.2688 -4.460266 9.390788 
1 1 1   21   10    9 o  125.587   2.1847  124.599   4.3056  130.809   6.0780  118.343   6.1002  128.285   3.0191  121.888   3.1919 6.397285 4.393549 
1 1 1   21   10   10 o   84.718   2.4863   56.897   3.3019   59.610   4.6360   54.104   4.7038   86.321   3.4292   82.123   3.6591 4.198555 5.014790 
1 1 1   21   10   11 o   14.302   6.1177   0.1777   2.4398   3.4882   3.5009  -2.9482   3.4019   21.490   7.9024   13.547   6.3511 7.942788 10.13830 
1 1 1   21   10   12 o   44.627   3.8362   16.144   2.6605   13.693   3.6519   18.917   3.8839   40.164   5.9757   47.685   5.2785 -7.520542 7.973180 
1 1 1   21   10   13 o   60.277   3.0717   29.117   2.8961   25.123   4.1624   32.865   4.0320   55.113   4.8624   63.561   4.0636 -8.447792 6.336864 
1 1 1   21   10   14 o   21.313   6.9476   3.9327   2.6678   3.8756   3.7934   3.9886   3.7528   21.995   8.2005   22.140   8.1747 -0.1447659 11.57901 
1 1 1   21   10   15 o   65.494   2.9565   34.503   3.0309   32.843   4.2947   36.150   4.2780   62.990   4.3718   66.278   4.1336 -3.287582 6.016576 
1 1 1   21   10   16 o   64.634   2.9707   33.770   3.0051   33.938   4.2526   33.602   4.2472   63.811   4.2713   63.477   4.2888 0.3332520 6.052894 
1 1 1   21   10   17 o   44.590   3.8637   16.575   2.6770   14.360   3.7751   18.816   3.7967   39.677   6.2711   46.369   5.3135 -6.692596 8.219482 
1 1 1   21   10   18 o   27.363   6.7113   7.2333   2.8596   12.732   4.0715   1.8801   4.0172   35.835   7.4819   18.223   7.8236 17.61187 10.82529 
1 1 1   21   10   19 o   15.003   6.1440   1.3807   2.3033  -1.7419   3.2460   4.5478   3.2690   13.270   6.2157   21.226   7.6615 -7.955544 9.865764 
1 1 1   21   10   20 o   19.014   6.5221   3.4854   2.3471   3.6909   3.3901   3.2963   3.2527   19.594   7.6415   18.926   7.4540 0.6681805 10.67495 
1 1 1   21   10   21 o   13.176   5.7801   0.3956   2.2922   4.5801   3.2473  -3.7600   3.2361   20.565   7.6023   11.547   5.6156 9.017829 9.451444 
1 1 1   21   10   22 o   26.681   5.7456   7.1431   2.3346   9.6094   3.3362   4.7766   3.2680   29.031   7.3244   19.908   7.5701 9.122610 10.53345 
1 1 1   21   10   23 o   15.082   6.1218   2.1638   2.2624   2.3376   3.2339   1.9972   3.1662   15.859   6.9132   15.424   6.7789 0.4345636 9.682281 
1 1 1   21   11    0 o   12.398   8.0982  -0.2192   3.8660  -0.2192   3.8660  -0.2192   3.8660   12.398   8.0982   12.398   8.0982 0.000000 0.000000 
1 1 1   21   11    1 o   18.604   7.3122   1.8845   3.1246   4.5608   4.5763  -0.4525   4.2765   24.672   9.0412   18.009   7.8977 6.663439 12.00486 
1 1 1   21   11    2 o   49.032   4.2881   19.405   3.2663   15.959   4.6916   22.648   4.5502   43.355   7.1443   52.503   5.6093 -9.148190 9.083301 
1 1 1   21   11    3 o   19.341   7.0672   2.6461   2.7930  -3.1686   3.9424   8.5054   3.9575   14.853   6.9218   31.165   8.0390 -16.31201 10.60837 
1 1 1   21   11    4 o   79.619   3.0803   50.393   3.8415   50.497   6.0503   50.322   4.9723   78.923   4.9094   79.207   4.0133 -0.2843246 6.341036 
1 1 1   21   11    5 o   16.089   6.5321   1.0491   2.5764   1.5584   3.5888   0.5075   3.7010   18.920   7.6990   17.798   7.5713 1.122202 10.79812 
1 1 1   21   11    6 o   78.322   2.8635   48.720   3.5136   45.940   4.7232   52.165   5.2575   75.621   3.9942   80.508   4.1756 -4.887344 5.778364 
1 1 1   21   11    7 o   30.180   5.5361   7.6563   2.5254   7.4938   3.7133   7.7962   3.4448   29.145   7.9158   29.851   7.3927 -0.7058315 10.83104 
1 1 1   21   11    8 o  120.818   2.0040  115.207   3.7996  116.223   5.5702  114.323   5.1962  120.947   2.9347  120.042   2.7583 0.9056091 4.027522 
1 1 1   21   11    9 o   74.750   2.7961   44.437   3.2741   43.878   4.4593   45.091   4.8227   73.831   3.8622   74.713   4.1293 -0.8817596 5.653985 
1 1 1   21   11   10 o   52.043   3.3722   21.738   2.7392   16.735   3.9307   26.462   3.8194   44.674   5.7391   57.058   4.2971 -12.38354 7.169560 
1 1 1   21   11   11 o   15.802   6.5282   0.9001   2.6303   5.7515   3.9839  -2.8489   3.5021   25.581   8.4976   13.833   6.4719 11.74795 10.68151 
1 1 1   21   11   12 o   79.134   2.5635   49.827   3.1793   53.893   4.3018   44.933   4.7197   81.902   3.3540   74.368   4.0595 7.534721 5.265822 
1 1 1   21   11   13 o   46.965   3.6541   17.913   2.6720   14.974   3.6879   21.161   3.8769   41.877   5.7645   50.377   4.9685 -8.500557 7.610174 
1 1 1   21   11   14 o   27.305   6.0540   6.5980   2.5260   7.1881   3.5911   6.0200   3.5539   27.660   7.8882   25.420   7.9918 2.239925 11.22913 
1 1 1   21   11   15 o   73.311   2.5446   43.057   2.9231   40.016   4.0985   46.206   4.1702   69.832   3.7537   75.230   3.5423 -5.398293 5.161204 
1 1 1   21   11   16 o   16.979   6.4881   2.1873   2.4081   3.3436   3.4565   1.0968   3.3568   20.014   7.7406   16.770   7.1747 3.243410 10.55432 
1 1 1   21   11   17 o   47.494   3.6183   18.745   2.6765   15.195   3.6367   22.940   3.9533   40.999   5.8153   51.348   4.9680 -10.34895 7.648445 
1 1 1   21   11   18 o   28.361   6.2592   7.6456   2.7110   9.4992   4.0524   6.1440   3.6474   29.641   8.3548   24.012   8.1326 5.629038 11.65945 
1 1 1   21   11   19 o   24.588   6.6997   6.0242   2.6550   2.9960   3.7511   9.0643   3.7585   18.899   7.8007   29.010   7.9982 -10.11123 11.17236 
1 1 1   21   11   20 f   12.985   5.8360  -0.1558   2.4835   5.0753   3.5868  -4.9727   3.4419   21.554   7.9859   11.390   5.5924 10.16417 9.749318 
1 1 1   21   11   21 o   17.939   6.6587   3.2913   2.4959   3.0936   3.5974   3.4748   3.4657   17.916   7.5354   18.370   7.5312 -0.4538422 10.65370 
1 1 1   21   11   22 o   19.016   6.6048   4.1089   2.4098   2.5660   3.5710   5.3990   3.2654   16.499   7.2268   20.490   7.6144 -3.991283 10.49794 
1 1 1   21   12    0 o   15.199   9.1511   2.0873   3.9571   2.0873   3.9571   2.0873   3.9571   15.199   9.1511   15.199   9.1511 0.000000 0.000000 
1 1 1   21   12    1 f   66.927   2.9758   35.614   3.1177   34.672   4.3728   36.588   4.4463   65.580   4.2721   67.395   4.2253 -1.814125 6.008708 
1 1 1   21   12    2 o   25.997   6.7494   5.8201   2.7775   3.9993   3.8711   7.7518   3.9873   22.967   8.3308   29.648   8.2626 -6.680920 11.73338 
1 1 1   21   12    3 o   37.592   5.1141   11.657   2.9388   10.855   4.0677   12.533   4.2506   35.305   7.5692   38.084   7.3786 -2.778755 10.57058 
1 1 1   21   12    4 o   41.366   4.3897   13.919   2.8061   16.568   4.1413   11.670   3.8157   44.496   6.0904   36.921   6.8372 7.574768 9.156412 
1 1 1   21   12    5 o  102.297   2.2660   82.702   3.6377   79.843   4.9818   85.968   5.3241  100.121   3.1747  103.847   3.2711 -3.725800 4.558377 
1 1 1   21   12    6 o   59.243   3.3260   28.065   3.0798   32.459   4.4236   23.931   4.2904   63.256   4.4853   53.993   5.1249 9.263329 6.810481 
1 1 1   21   12    7 o   58.976   3.1747   27.788   2.9274   26.680   4.1214   28.916   4.1589   57.215   4.6297   59.648   4.4756 -2.433640 6.439355 
1 1 1   21   12    8 o   84.201   2.5511   56.264   3.3670   52.022   4.7487   60.551   4.7747   80.425   3.7731   86.922   3.5076 -6.497215 5.151602 
1 1 1   21   12    9 o   46.768   4.0090   17.748   2.9140   20.680   4.1382   14.864   4.1040   49.885   5.3705   41.673   6.4864 8.211796 8.421180 
1 1 1   21   12   10 o   43.063   4.1797   15.139   2.7891   15.689   3.9142   14.573   3.9752   43.020   5.9575   41.238   6.3458 1.781990 8.704056 
1 1 1   21   12   11 o   28.092   6.6812   6.9813   2.9022   7.4982   4.5790   6.6344   3.7521   28.383   9.0895   26.971   8.1657 1.412035 12.21877 
1 1 1   21   12   12 o   78.447   2.6543   49.090   3.2629   46.197   4.5800   52.071   4.6496   75.397   3.8839   80.180   3.7052 -4.783615 5.367849 
1 1 1   21   12   13 o   33.550   5.2731   9.6218   2.6848   9.7267   3.7473   9.5111   3.8485   32.470   7.5046   31.945   7.7556 0.5247211 10.79208 
1 1 1   21   12   14 o   66.018   2.9309   35.143   3.0289   32.261   4.2716   38.058   4.2955   62.207   4.4042   67.889   4.0503 -5.682640 5.983420 
1 1 1   21   12   15 f   55.735   3.3167   25.385   2.8878   22.743   4.1303   27.913   4.0393   51.286   5.2038   57.501   4.5125 -6.215111 6.887785 
1 1 1   21   12   16 o   18.083   6.6664   2.7956   2.4940   6.0221   3.5934  -0.2033   3.4643   24.290   8.0704   15.339   6.8936 8.950755 10.61378 
1 1 1   21   12   17 o   44.270   3.9477   16.564   2.7139   18.424   3.8768   14.777   3.8003   45.167   5.5886   39.728   6.3060 5.438923 8.426005 
1 1 1   21   12   18 o   14.000   6.0711   0.5507   2.4671  -3.7157   3.4968   4.7794   3.4813   12.351   5.9661   21.494   7.8842 -9.143019 9.887069 
1 1 1   21   12   19 o   12.706   5.7595  -0.4302   2.4792  -0.0892   3.5537  -0.7535   3.4603   15.097   6.8638   14.343   6.6143 0.7543516 9.532105 
1 1 1   21   12   20 o   15.441   6.5188   1.5783   2.7083   2.2641   3.8594   0.9129   3.8015   17.443   7.5786   16.015   7.2073 1.427738 10.45848 
1 1 1   21   12   21 o   17.164   6.9850   3.0567   2.9543   2.7358   4.2590   3.3544   4.1016   17.272   7.7115   17.823   7.7772 -0.5512199 10.95227 
1 1 1   21   12   22 f   12.478   5.9021  -0.8989   3.0574   0.8161   4.6290  -2.2259   4.0721   15.379   7.2709   13.037   6.3305 2.342493 9.640579 
1 1 1   21   13    0 o   9.4200   6.5555  -2.9317   3.4550  -2.9317   3.4550  -2.9317   3.4550   9.4200   6.5555   9.4200   6.5555 0.000000 0.000000 
1 1 1   21   13    1 o   62.834   2.8858   31.410   2.8380   33.678   4.0390   29.198   3.9885   64.666   3.9997   60.091   4.2571 4.574284 5.841283 
1 1 1   21   13    2 o   59.967   3.1206   28.686   2.9266   26.989   4.2865   30.167   4.0055   57.527   4.7916   61.100   4.2030 -3.573627 6.373777 
1 1 1   21   13    3 o   14.693   6.3134   0.0810   2.6204   2.4912   3.6873  -2.3782   3.7246   20.297   7.9536   14.868   6.8587 5.428493 10.50243 
1 1 1   21   13    4 o   49.057   3.7011   19.371   2.8283   17.898   3.9450   20.930   4.0570   46.435   5.5217   50.403   5.2038 -3.968342 7.587443 
1 1 1   21   13    5 o   45.130   4.1544   16.535   2.9093   16.068   4.1347   16.993   4.0943   43.608   6.2177   44.999   5.9431 -1.390671 8.601178 
1 1 1   21   13    6 o  100.626   2.8409   80.547   4.4817   76.429   6.7017   83.878   6.0279   97.091   4.4099  102.164   3.7662 -5.073372 5.799306 
1 1 1   21   13    7 o   52.350   3.5465   22.052   2.8964   19.241   4.0627   24.957   4.1304   48.056   5.4854   55.145   4.8213 -7.088970 7.303025 
1 1 1   21   13    8 f   19.934   6.8427   3.2062   2.5836   2.3497   3.6792   4.0395   3.6290   19.885   7.8973   22.454   8.0766 -2.568996 11.29593 
1 1 1   21   13    9 o   42.072   4.0995   14.452   2.6724   13.219   3.7997   15.658   3.7593   39.163   6.4036   43.063   5.7029 -3.900051 8.574936 
1 1 1   21   13   10 o   18.361   6.7086   2.5342   2.5167   2.2051   3.5713   2.8589   3.5471   19.342   7.7476   20.273   7.8413 -0.9307804 11.02318 
1 1 1   21   13   11 o   54.533   3.5198   24.076   2.9961   15.969   4.4829   30.620   4.0277   42.473   6.9671   61.124   4.2249 -18.65131 8.148077 
1 1 1   21   13   12 o   13.031   5.8611  -0.7737   2.5104  -5.5186   3.4866   4.3338   3.6174   11.820   5.7661   22.401   8.0629 -10.58081 9.912549 
1 1 1   21   13   13 o   15.485   6.3538   1.1683   2.4695   2.0374   3.5026   0.3092   3.4822   18.487   7.5743   16.320   7.1427 2.166742 10.41094 
1 1 1   21   13   14 o   33.454   5.0297   9.6980   2.5589   8.1680   3.5870   11.283   3.6515   28.852   7.7560   34.756   6.9378 -5.904659 10.40619 
1 1 1   21   13   15 o   13.227   5.8577  -0.1197   2.4071   1.4117   3.4356  -1.5963   3.3736   17.106   7.2867   13.895   6.4506 3.211755 9.731687 
1 1 1   21   13   16 o   25.236   6.2646   6.0639   2.4694   9.8121   3.5884   2.6922   3.4034   31.261   7.4255   18.510   7.5103 12.75069 10.56137 
1 1 1   21   13   17 o   14.283   6.1834   0.6282   2.5505   1.3461   3.6400  -0.0641   3.5747   16.873   7.3452   15.327   6.9348 1.546170 10.10168 
1 1 1   21   13   18 o   17.808   6.7169   2.8802   2.5607   2.4411   3.6212   3.3193   3.6215   17.966   7.5585   19.116   7.7504 -1.149569 10.82593 
1 1 1   21   13   19 o   16.687   6.5735   2.4061   2.5301   3.0213   3.6119   1.8133   3.5453   18.357   7.6227   16.829   7.2881 1.527205 10.54618 
1 1 1   21   13   20 o   14.185   6.0235   1.2833   2.3351   3.3751   3.3560  -0.6799   3.2511   17.960   7.3922   13.434   6.2690 4.525383 9.692495 
1 1 1   21   13   21 o   10.287   4.9262  -1.7731   2.2672   1.8715   3.1884  -5.5005   3.2245   15.356   6.7738   10.141   5.0546 5.215298 8.451818 
1 1 1   21   14    0 o   12.007   7.7949   0.0535   3.5054   0.0535   3.5054   0.0535   3.5054   12.007   7.7949   12.007   7.7949 0.000000 0.000000 
1 1 1   21   14    1 o   45.807   3.7715   16.942   2.6872   12.775   3.7040   21.571   3.9043   38.739   6.3098   51.251   4.9145 -12.51266 7.997918 
1 1 1   21   14    2 o   12.094   5.5960  -1.8163   2.5072  -0.7645   3.6172  -2.7890   3.4783   16.055   7.1413   13.878   6.4788 2.176528 9.642237 
1 1 1   21   14    3 o   43.991   3.8780   15.669   2.6498   14.110   3.7425   17.235   3.7523   40.858   6.0167   45.546   5.3518 -4.687115 8.052499 
1 1 1   21   14    4 o   45.299   3.8000   16.596   2.6764   19.314   3.8271   13.994   3.7443   48.330   5.1239   40.644   6.0550 7.685783 7.932068 
1 1 1   21   14    5 o   95.456   2.2262   72.105   3.3349   76.565   4.7569   67.794   4.6766   97.930   3.0992   92.070   3.2418 5.860146 4.484892 
1 1 1   21   14    6 o   38.625   4.8034   12.349   2.8489   12.461   4.3264   12.263   3.7854   37.431   7.6244   37.639   6.6518 -0.2079277 10.11823 
1 1 1   21   14    7 o   49.001   3.5932   19.392   2.7439   20.967   3.8880   17.829   3.8728   50.319   4.9893   46.132   5.4550 4.187420 7.392541 
1 1 1   21   14    8 o   53.739   3.5309   23.319   2.9612   21.254   4.1520   25.457   4.2243   50.394   5.3309   55.449   4.9052 -5.055359 7.244286 
1 1 1   21   14    9 f   24.095   6.9476   5.1776   2.7711   4.7748   3.8872   5.5938   3.9513   23.577   8.3727   24.982   8.4645 -1.405098 11.90589 
1 1 1   21   14   10 o   42.408   4.3673   14.875   2.8649   14.508   3.9805   15.269   4.1267   40.709   6.4452   41.737   6.5131 -1.027859 9.163010 
1 1 1   21   14   11 o   31.641   6.9433   9.1097   3.3527   13.688   4.7629   4.6132   4.7204   38.014   8.2234   23.435   9.0506 14.57943 12.22859 
1 1 1   21   14   12 o   18.410   6.9696   2.6247   2.7627   0.9655   3.8550   4.3767   3.9614   17.661   7.6238   22.267   8.3641 -4.606430 11.31723 
1 1 1   21   14   13 o   22.209   6.8100   4.6189   2.5986   2.8300   3.6616   6.4342   3.6885   19.494   7.8324   25.396   8.1603 -5.902193 11.31094 
1 1 1   21   14   14 o   27.736   6.4006   7.2260   2.7294   0.4792   3.8551   14.006   3.8647   16.694   7.4020   38.746   6.5918 -22.05219 9.911702 
1 1 1   21   14   15 o   12.591   5.7802  -0.9856   2.6010   1.6373   3.7345  -3.4566   3.6248   17.532   7.5353   12.902   6.1918 4.630023 9.752894 
1 1 1   21   14   16 o   25.102   6.5714   6.1924   2.6185   5.1405   3.7275   7.2171   3.6792   22.090   8.1488   25.744   8.1365 -3.654602 11.51540 
1 1 1   21   14   17 o   13.519   5.9254   0.3422   2.4042   2.5553   3.4114  -1.8417   3.3888   17.943   7.4257   13.354   6.2850 4.589353 9.728436 
1 1 1   21   14   18 o   12.636   5.6901  -0.2105   2.3734  -0.8188   3.3610   0.3946   3.3521   13.985   6.4739   15.110   6.7865 -1.124419 9.379152 
1 1 1   21   14   19 o   14.917   6.1684   1.6619   2.3514   1.5091   3.3512   1.8100   3.3002   15.835   6.9663   16.128   7.0077 -0.2930136 9.881126 
1 1 1   21   14   20 o   11.322   5.2947  -0.8689   2.3394   2.1315   3.3239  -3.8141   3.2932   15.889   6.9655   11.148   5.4727 4.740928 8.858260 
1 1 1   21   15    0 o   19.484   9.6513   4.7369   3.5528   4.7369   3.5528   4.7369   3.5528   19.484   9.6513   19.484   9.6513 0.000000 0.000000 
1 1 1   21   15    1 o   27.376   6.1869   6.4963   2.5952   6.9641   3.6235   6.0036   3.7185   27.827   7.9197   25.988   8.1755 1.838802 11.38245 
1 1 1   21   15    2 o   46.364   3.7750   17.402   2.7229   16.224   3.9072   18.515   3.7968   43.850   5.8216   47.197   5.2129 -3.347519 7.814465 
1 1 1   21   15    3 o   80.338   2.5056   51.271   3.1551   50.291   4.4594   52.254   4.4645   79.050   3.6042   80.618   3.5375 -1.567551 5.050152 
1 1 1   21   15    4 o   65.268   3.0002   34.056   3.0648   31.919   4.5139   35.884   4.1745   62.383   4.6441   66.518   4.0178 -4.135311 6.140915 
1 1 1   21   15    5 o   32.058   5.4185   8.7162   2.6290   9.6094   3.7758   7.8756   3.6627   32.694   7.5166   29.443   7.8028 3.250967 10.83430 
1 1 1   21   15    6 o   39.198   4.8184   12.788   2.9017   15.968   4.4496   10.435   3.8275   42.707   6.8723   34.100   7.3679 8.607525 10.07539 
1 1 1   21   15    7 o   43.226   3.9807   15.277   2.6700   10.061   3.7218   20.808   3.8325   33.418   7.3014   49.984   4.9509 -16.56561 8.821711 
1 1 1   21   15    8 o   21.019   6.8933   3.8187   2.6244   4.4143   3.6997   3.2155   3.7234   22.752   8.1584   20.868   8.0439 1.883650 11.45704 
1 1 1   21   15    9 o   17.921   6.7136   2.3761   2.5487   2.7104   3.5501   2.0205   3.6612   19.785   7.7889   18.965   7.7540 0.8203392 10.99047 
1 1 1   21   15   10 o   36.348   4.7563   11.177   2.6480   7.3746   3.6768   15.274   3.8169   27.723   8.0057   41.753   5.9971 -14.03003 10.00283 
1 1 1   21   15   11 o   29.993   6.6230   8.2851   3.0339   10.611   4.3104   6.0014   4.2710   32.676   8.3698   24.739   8.7771 7.936256 12.12812 
1 1 1   21   15   12 f   43.934   4.2594   16.259   2.8999   11.386   4.0875   21.196   4.1147   34.038   7.8173   49.222   5.4163 -15.18422 9.510354 
1 1 1   21   15   13 o   15.594   6.6790   0.9128   2.9151   0.4727   3.9960   1.4134   4.2619   16.859   7.5020   18.155   7.9249 -1.296467 10.91254 
1 1 1   21   15   14 o   36.333   4.9837   11.656   2.7668   10.414   3.9665   12.833   3.8613   31.610   7.9926   36.280   7.0359 -4.669683 10.64827 
1 1 1   21   15   15 o   32.468   5.5182   9.6558   2.7111   12.201   3.7756   6.9470   3.8953   35.002   7.1164   24.991   8.4044 10.01047 11.01259 
1 1 1   21   15   16 o   19.342   6.9596   3.6604   2.6949  -1.5359   3.7610   9.1436   3.8634   14.263   6.6838   28.752   8.1760 -14.48898 10.56030 
1 1 1   21   15   17 o   21.453   6.9194   4.7780   2.6503   5.1240   3.7174   4.4204   3.7795   21.486   8.0955   20.424   8.0378 1.061626 11.40803 
1 1 1   21   15   18 o   12.943   5.8858  -0.1957   2.6147  -4.2609   3.7111   3.8113   3.6844   12.044   5.8913   18.968   7.7696 -6.924129 9.750591 
1 1 1   21   15   19 o   16.050   6.5400   2.5031   2.5939   2.0680   3.6633   2.9406   3.6733   16.133   7.1809   17.067   7.4047 -0.9340687 10.31474 
1 1 1   21   15   20 o   10.040   4.9012  -2.8274   2.5314  -2.1939   3.5337  -3.4951   3.6281   12.251   5.9369   11.680   5.7361 0.5710278 8.255313 
1 1 1   21   16    0 o   37.076   7.2734   12.410   3.7671   12.410   3.7671   12.410   3.7671   37.076   7.2734   37.076   7.2734 0.000000 0.000000 
1 1 1   21   16    1 o   30.128   5.8437   7.8282   2.6631   5.8519   3.7420   9.8564   3.7909   25.492   8.2220   33.064   7.4813 -7.571638 11.11626 
1 1 1   21   16    2 o   67.294   2.8276   36.181   2.9794   35.234   4.2146   37.127   4.2124   65.758   4.1046   67.576   3.9899 -1.817703 5.724285 
1 1 1   21   16    3 o   18.995   6.9173   2.7702   2.6726   2.4838   3.8091   3.0480   3.7508   20.038   8.0098   20.770   8.0551 -0.7323475 11.35964 
1 1 1   21   16    4 o   66.568   2.9122   35.476   3.0349   37.915   4.2948   33.044   4.2892   68.210   4.0302   63.480   4.3315 4.730297 5.916509 
1 1 1   21   16    5 o   64.499   2.9591   33.353   2.9872   33.930   4.2294   32.778   4.2196   64.363   4.2104   63.214   4.2787 1.148815 6.002954 
1 1 1   21   16    6 o   60.674   3.2494   29.689   3.0827   29.602   4.5712   29.761   4.1749   59.552   4.9356   60.039   4.4629 -0.4871597 6.654174 
1 1 1   21   16    7 o   52.465   3.6957   22.443   3.0233   27.639   4.2919   17.326   4.2595   57.532   4.7973   44.523   6.2698 13.00910 7.894564 
1 1 1   21   16    8 o   26.219   6.8391   6.3091   2.8429   5.7929   4.0549   6.8081   3.9869   24.797   8.5700   26.554   8.4791 -1.756561 12.05568 
1 1 1   21   16    9 o   17.954   6.8832   2.4117   2.7162  -0.0626   3.8351   4.9019   3.8474   16.524   7.3515   23.009   8.3109 -6.485132 11.09575 
1 1 1   21   16   10 o   15.781   6.6143   1.0991   2.7570  -3.3197   3.9150   5.4460   3.8831   13.886   6.6003   23.647   8.3710 -9.760876 10.66011 
1 1 1   21   16   11 o   26.349   6.8574   6.6499   2.8624   6.9283   3.8296   6.2975   4.3088   25.936   8.3132   24.648   8.8083 1.287989 12.11181 
1 1 1   21   16   12 o   15.315   6.4061   1.1790   2.5781  -0.9279   3.6480   3.2812   3.6439   14.916   6.8468   19.669   7.8437 -4.753296 10.41161 
1 1 1   21   16   13 o   14.808   6.3488   0.8408   2.6388  -5.3968   3.5733   8.3224   3.9134   11.631   5.7081   27.671   8.3312 -16.03962 10.09908 
1 1 1   21   16   14 o   18.663   6.9801   3.2391   2.7527   3.4129   3.8410   3.0556   3.9468   19.500   7.9536   19.112   7.9550 0.3876419 11.24912 
1 1 1   21   16   15 o   25.572   6.6891   6.5709   2.7146   9.9895   3.7721   2.8987   3.9096   30.493   7.8397   18.711   7.8617 11.78193 11.10256 
1 1 1   21   16   16 o   27.547   6.4563   7.5761   2.7421   4.6194   3.8078   10.761   3.9521   20.678   8.0886   31.134   8.0348 -10.45591 11.40102 
1 1 1   21   16   17 f   16.732   6.9590   2.3755   3.0170   4.2859   4.0290  -0.0634   4.5523   19.643   8.0938   15.880   7.4126 3.763575 10.97529 
1 1 1   21   16   18 o   10.528   5.0946  -2.5402   2.5791   1.7226   3.6832  -6.6416   3.6128   15.850   7.1167   10.501   5.2517 5.348622 8.844679 
1 1 1   21   16   19 o   14.738   6.2929   1.8911   2.5733  -0.4860   3.6748   4.1783   3.6046   13.553   6.4283   17.941   7.5443 -4.388591 9.911528 
1 1 1   21   17    0 o   40.261   6.7154   14.306   3.8884   14.306   3.8884   14.306   3.8884   40.261   6.7154   40.261   6.7154 0.000000 0.000000 
1 1 1   21   17    1 o   26.268   6.5716   6.1848   2.7020   4.0960   3.8278   8.2592   3.8147   22.258   8.2492   29.690   8.0058 -7.432388 11.49528 
1 1 1   21   17    2 o   28.356   6.3056   7.1367   2.7334   6.4505   3.8811   7.8120   3.8502   26.252   8.3640   28.787   8.1538 -2.535063 11.68082 
1 1 1   21   17    3 o   71.818   3.0324   41.461   3.4100   41.581   4.7035   41.328   4.9509   71.125   4.2331   70.714   4.4845 0.4115372 6.166831 
1 1 1   21   17    4 o   15.656   6.7085   0.5086   2.9434   1.3051   4.0306  -0.4014   4.3083   18.601   7.9069   17.320   7.7430 1.280880 11.06676 
1 1 1   21   17    5 o   48.614   4.3573   19.629   3.2890   28.831   4.7185   10.932   4.5870   58.325   5.2100   33.457   8.6674 24.86796 10.11274 
1 1 1   21   17    6 o   31.015   6.6321   8.7532   3.1302   9.3602   4.4172   8.1409   4.4364   30.641   8.7519   28.509   8.9242 2.131615 12.49954 
1 1 1   21   17    7 o   29.423   6.6222   7.9701   2.9837   5.7895   4.1373   10.333   4.3070   24.436   8.6416   32.222   8.4244 -7.786100 12.06846 
1 1 1   21   17    8 o   22.753   7.3488   4.9180   2.9887   1.8984   4.3992   7.5064   4.0731   19.210   8.2158   27.119   8.5596 -7.909609 11.86453 
1 1 1   21   17    9 o   31.691   5.9072   9.0955   2.8297   10.831   4.0135   7.3796   3.9903   33.020   7.8593   26.685   8.4785 6.335524 11.56082 
1 1 1   21   17   10 o   15.074   6.4745   0.7543   2.7538   3.6507   3.9070  -2.1054   3.8821   20.439   8.1313   14.451   6.7778 5.988093 10.58568 
1 1 1   21   17   11 o   38.701   5.4409   13.458   3.2134   12.428   4.1597   14.983   5.0603   34.935   7.7865   37.246   8.7984 -2.310791 11.74914 
1 1 1   21   17   12 o   21.187   7.0407   4.4808   2.7349   2.9579   3.9703   5.8558   3.7727   19.113   7.9689   23.274   8.2500 -4.160595 11.47024 
1 1 1   21   17   13 o   19.056   6.8801   3.4991   2.6363   2.1658   3.7375   4.8195   3.7193   17.782   7.5880   21.382   8.0884 -3.600279 11.09055 
1 1 1   21   17   14 o   18.810   6.7599   3.4400   2.5416   6.5221   3.6226   0.4523   3.5668   24.094   8.1049   15.597   7.0032 8.497217 10.71146 
1 1 1   21   17   15 o   24.803   6.5172   6.2407   2.5693   7.4100   3.6602   5.1048   3.6074   25.330   8.1280   21.377   7.9916 3.952827 11.39869 
1 1 1   21   17   16 f   17.194   6.5566   2.8811   2.4559   1.5364   3.4451   4.2707   3.5020   16.036   7.0587   19.573   7.7264 -3.536753 10.46526 
1 1 1   21   17   17 o   14.247   6.2667   1.1430   2.7108  -2.3349   4.2848   3.4639   3.5003   13.541   6.5560   17.675   7.4334 -4.134363 9.911426 
1 1 1   21   17   18 o   13.359   5.9731   0.8418   2.5650   3.3202   3.6057  -1.6974   3.6497   16.902   7.3345   12.714   6.1300 4.187668 9.558861 
1 1 1   21   18    0 o   33.422   11.678   12.918   5.5412   12.918   5.5412   12.918   5.5412   33.422   11.678   33.422   11.678 0.000000 0.000000 
1 1 1   21   18    1 o   33.134   7.3047   10.254   3.6958   8.7075   5.4022   11.614   5.0673   28.844   9.8948   33.682   9.2873 -4.837349 13.57061 
1 1 1   21   18    2 o   46.844   4.7754   18.562   3.4615   21.235   5.2809   16.548   4.5834   48.053   7.2265   42.418   7.1387 5.635101 10.15792 
1 1 1   21   18    3 o   13.252   6.1606  -1.8804   3.0936  -5.8523   4.1402   3.1402   4.6548   12.955   6.3116   21.097   8.6970 -8.142095 10.74586 
1 1 1   21   18    4 o   21.717   7.2408   4.3566   2.8921   5.0664   4.0971   3.6517   4.0831   23.212   8.5466   21.146   8.3442 2.066507 11.94446 
1 1 1   21   18    5 o   15.909   6.6813   1.1039   2.8216   1.7625   4.0593   0.4883   3.9248   18.643   7.9303   17.073   7.5240 1.570017 10.93156 
1 1 1   21   18    6 o   50.714   3.8497   21.370   3.0409   19.839   4.3778   22.798   4.2271   46.989   6.0791   51.113   5.3490 -4.124443 8.097415 
1 1 1   21   18    7 f   14.775   6.4651   0.3126   2.8517   5.6311   4.1241  -4.5601   3.9475   23.592   8.5927   13.055   6.3140 10.53691 10.66306 
1 1 1   21   18    8 o   21.060   7.6149   4.2519   3.2311   6.3559   4.7990   2.5074   4.3700   24.312   9.1898   19.368   8.2328 4.944225 12.33820 
1 1 1   21   18    9 o   18.252   6.9747   2.8661   2.7829   3.6255   3.9431   2.1123   3.9282   20.193   8.1227   18.297   7.7925 1.896181 11.25622 
1 1 1   21   18   10 o   36.354   5.2332   11.868   2.8996   14.523   4.0929   9.1929   4.1085   38.444   7.0437   28.827   8.5020 9.616665 11.04077 
1 1 1   21   18   11 o   13.699   6.2013  -0.3358   2.8629   1.1722   3.9968  -1.9248   4.1028   17.040   7.5470   14.617   6.8905 2.423021 10.21937 
1 1 1   21   18   12 o   38.816   4.8270   13.421   2.8769   13.750   4.1271   13.109   4.0126   36.498   7.4578   35.666   7.4114 0.8320313 10.51413 
1 1 1   21   18   13 o   12.242   5.7050  -1.2652   2.6781  -3.5518   3.8551   0.8674   3.7230   12.968   6.2641   16.141   7.2081 -3.172967 9.549574 
1 1 1   21   18   14 o   10.217   5.0159  -4.1845   2.7664  -1.9549   4.0233  -6.1840   3.8100   14.105   6.7005   11.432   5.6631 2.673069 8.773170 
1 1 1   21   18   15 o   17.488   6.9230   3.0522   2.8189   3.0858   4.1684   3.0239   3.8266   18.061   7.8614   17.845   7.6480 0.2163429 10.96781 
1 1 1   21   18   16 o   14.536   6.2402   1.5477   2.5554  -2.5798   3.5157   6.1708   3.7207   12.240   5.9292   21.230   8.0763 -8.990297 10.01911 
1 1 1   21   18   17 o   14.902   6.2654   2.0831   2.4857   3.0973   3.5226   1.0773   3.5080   16.571   7.2194   14.548   6.6910 2.022856 9.843222 
1 1 1   21   19    0 o   43.325   6.4408   16.668   4.0947   16.668   4.0947   16.668   4.0947   43.325   6.4408   43.325   6.4408 0.000000 0.000000 
1 1 1   21   19    1 o   23.932   6.9238   5.4840   2.7478   5.4716   3.8607   5.4968   3.9118   23.468   8.3431   23.507   8.3936 -0.3850555E-01 11.83469 
1 1 1   21   19    2 f   23.193   7.0608   5.1796   2.8001   4.0732   3.9088   6.3458   4.0130   21.260   8.2291   24.843   8.5280 -3.583780 11.85093 
1 1 1   21   19    3 o   28.250   7.2038   7.7766   3.2031   3.1525   4.5108   12.479   4.5491   20.412   8.5010   34.843   8.4151 -14.43117 11.96166 
1 1 1   21   19    4 o   36.269   5.4971   11.737   3.0309   14.601   4.3234   8.9703   4.2501   38.784   7.3728   28.975   8.6726 9.809277 11.38303 
1 1 1   21   19    5 o   11.428   5.4761  -2.9853   2.8124  -4.8468   4.0423  -1.2388   3.9154   12.992   6.3085   15.149   7.0037 -2.156819 9.425997 
1 1 1   21   19    6 o   16.038   6.7267   1.4005   2.8544  -0.4826   4.0594   3.2421   4.0145   15.934   7.2795   19.781   8.1072 -3.847645 10.89578 
1 1 1   21   19    7 o   9.8948   4.8967  -5.3838   2.8214  -5.3968   3.9891  -5.3707   3.9911   12.483   6.1064   12.500   6.1134 -0.1711369E-01 8.640711 
1 1 1   21   19    8 o   13.118   6.0793  -1.2204   2.9763   2.9070   4.0649  -5.9905   4.3700   19.096   8.0194   12.838   6.3030 6.257445 10.19995 
1 1 1   21   19    9 o   31.962   5.7027   9.5021   2.7555   9.2551   3.8595   9.7589   3.9353   29.075   8.1387   29.871   8.1638 -0.7964115 11.52762 
1 1 1   21   19   10 o   14.877   6.4393   0.8969   2.7649  -2.6079   3.8812   4.5084   3.9398   13.676   6.5204   20.780   8.1976 -7.104975 10.47457 
1 1 1   21   19   11 o   43.716   4.5010   16.808   3.0438   16.698   4.3185   16.917   4.2907   40.700   7.0145   41.123   6.8924 -0.4229164 9.834013 
1 1 1   21   19   12 o   16.557   6.7955   2.1699   2.8257   1.4405   3.9809   2.9106   4.0117   16.870   7.4987   18.446   7.8662 -1.575914 10.86771 
1 1 1   21   19   13 o   17.645   6.7099   3.0493   2.5677   5.6390   3.6163   0.4166   3.6463   21.837   8.0313   15.266   6.9453 6.571268 10.61792 
1 1 1   21   19   14 o   31.048   5.5547   9.4319   2.6071   12.944   3.7367   6.1006   3.6391   34.301   7.1730   21.829   8.0518 12.47134 10.78345 
1 1 1   21   19   15 o   13.884   6.0529   1.2113   2.4795  -0.2061   3.4244   2.7734   3.5951   13.643   6.3884   16.593   7.2599 -2.949685 9.670502 
1 1 1   21   19   16 o   9.7583   4.7744  -2.8703   2.4423  -6.1706   3.4643   0.3907   3.4435   10.150   5.0860   13.817   6.4489 -3.666769 8.213175 
1 1 1   21   20    0 o   27.923   9.7936   9.1123   3.8879   9.1123   3.8879   9.1123   3.8879   27.923   9.7936   27.923   9.7936 0.000000 0.000000 
1 1 1   21   20    1 o   15.198   6.4770   1.0012   2.7170  -0.2024   3.8249   2.2271   3.8602   15.736   7.1412   18.305   7.7576 -2.568653 10.54403 
1 1 1   21   20    2 o   14.022   6.2308   0.0490   2.7465  -6.7835   3.8506   7.1254   3.9187   11.554   5.7182   25.540   8.4256 -13.98597 10.18280 
1 1 1   21   20    3 o   18.380   7.1593   2.9203   2.9730  -2.8241   4.5064   7.3473   3.9560   14.832   7.0590   25.814   8.4631 -10.98180 11.02064 
1 1 1   21   20    4 o   16.521   6.6975   1.9689   2.7038   0.2866   3.8577   3.5933   3.7908   16.121   7.2572   19.831   7.9688 -3.709921 10.77820 
1 1 1   21   20    5 o   19.654   7.0251   3.7559   2.7409   4.7486   3.8792   2.7663   3.8732   21.400   8.2204   18.723   7.8432 2.677149 11.36180 
1 1 1   21   20    6 o   13.246   6.0836  -0.8094   2.8855  -2.8506   4.0650   1.2638   4.0967   13.916   6.6454   17.213   7.6314 -3.297505 10.11924 
1 1 1   21   20    7 o   15.652   6.6666   1.3391   2.8754   4.1843   4.0480  -1.5584   4.0851   20.399   8.2216   14.756   6.9312 5.643069 10.75345 
1 1 1   21   20    8 o   21.105   7.3655   4.6727   2.9987   1.5840   4.0532   8.4079   4.4572   17.293   7.6323   26.237   8.9882 -8.944155 11.79153 
1 1 1   21   20    9 o   19.494   7.0538   3.8431   2.7731   6.4492   3.8913   1.1538   3.9529   23.528   8.3748   16.675   7.4381 6.852859 11.20103 
1 1 1   21   20   10 o   19.064   7.2512   3.6718   2.9990  -0.8652   4.0571   9.1377   4.4531   14.982   6.9952   26.984   8.9846 -12.00140 11.38664 
1 1 1   21   20   11 f   18.559   7.2671   3.4813   3.0763  -0.0245   4.2105   7.4954   4.5055   15.653   7.2458   23.971   8.9371 -8.318057 11.50536 
1 1 1   21   20   12 o   26.268   7.3478   7.8092   3.1470   7.5602   4.4560   8.0569   4.4450   23.429   8.8555   24.162   8.9011 -0.7331009 12.55584 
1 1 1   21   20   13 o   11.230   5.4481  -2.7822   2.9979  -0.8784   4.2835  -4.6102   4.1973   14.372   6.8517   12.286   6.0598 2.086158 9.146960 
1 1 1   21   20   14 o   14.720   6.5441   1.5707   3.0335   3.4131   4.3256  -0.2122   4.2552   17.119   7.6975   14.353   6.8391 2.765903 10.29684 
1 1 1   21   20   15 o   9.3101   4.6485  -4.9685   2.7786  -4.1895   4.1219  -5.6174   3.7618   11.883   5.8874   10.792   5.3914 1.091393 7.983089 
1 1 1   21   21    0 o   35.454   10.337   14.183   4.9929   14.183   4.9929   14.183   4.9929   35.454   10.337   35.454   10.337 0.000000 0.000000 
1 1 1   21   21    1 o   19.604   7.7693   3.7199   3.5538  -3.3343   5.0594   10.590   4.9928   15.108   7.2671   29.071   9.5063 -13.96303 11.96583 
1 1 1   21   21    2 o   14.932   6.7645  -0.0185   3.4142  -2.3441   4.8189   2.3256   4.8380   15.314   7.2913   18.778   8.3109 -3.464746 11.05592 
1 1 1   21   21    3 o   15.272   6.8745   0.2812   3.4607   0.2251   4.9614   0.3343   4.8295   17.147   7.9120   17.085   7.8555 0.6173897E-01 11.14939 
1 1 1   21   21    4 o   14.535   6.6522  -0.3712   3.4096   0.4882   4.8772  -1.1928   4.7684   17.199   7.9029   15.891   7.4719 1.308177 10.87587 
1 1 1   21   21    5 o   10.897   5.3343  -4.3259   3.0604  -0.2049   4.3098  -8.5175   4.3465   15.958   7.3672   11.579   5.7864 4.378559 9.367902 
1 1 1   21   21    6 o   19.993   7.4339   4.1530   3.1133   2.5954   4.3778   5.7468   4.4282   18.452   8.0436   22.133   8.7033 -3.681101 11.85100 
1 1 1   21   21    7 o   13.225   6.1595  -1.1170   3.1145  -0.6619   4.4606  -1.5499   4.3507   15.689   7.3283   14.932   7.0563 0.7570400 10.17327 
1 1 1   21   21    8 o   21.461   7.3839   5.0435   3.0090   10.307   4.3401   0.1717   4.1755   28.980   8.7841   15.858   7.2959 13.12152 11.41887 
1 1 1   21   21    9 o   18.375   7.0564   3.4349   2.8579   2.0543   3.9717   4.9173   4.1154   17.177   7.5693   20.539   8.2856 -3.361935 11.22252 
1 1 1   21   21   10 o   27.069   6.8206   7.8820   2.8957   2.2167   4.0356   13.894   4.1573   17.066   7.5698   34.944   7.7810 -17.87795 10.85570 
1 1 1   21   21   11 o   13.603   6.1531   0.4357   2.8122   1.8919   3.9858  -1.0079   3.9683   16.252   7.3408   13.976   6.6437 2.275648 9.900844 
1 1 1   21   21   12 o   11.958   5.6543  -1.0328   2.8020  -6.2469   3.9569   4.2110   3.9682   11.059   5.5255   18.052   7.7633 -6.993402 9.528878 
1 1 1   21   21   13 o   18.809   7.0001   4.5545   2.7618   3.4013   3.8629   5.7603   3.9501   16.713   7.4101   19.327   7.9938 -2.613819 10.90001 
1 1 1   21   22    0 o   10.808   7.3780  -0.9829   3.8981  -0.9829   3.8981  -0.9829   3.8981   10.808   7.3780   10.808   7.3780 0.000000 0.000000 
1 1 1   21   22    1 o   24.147   7.1054   6.2106   2.8724   7.0702   4.0574   5.3469   4.0668   24.157   8.5564   21.534   8.3775 2.623405 11.97475 
1 1 1   21   22    2 o   17.559   7.0673   2.7638   2.9868   3.8890   4.2071   1.6205   4.2411   19.620   8.1934   17.256   7.7006 2.363400 11.24415 
1 1 1   21   22    3 o   11.719   5.6353  -2.8093   3.0375   2.7611   4.1833  -9.0213   4.4176   18.301   7.9211   11.434   5.7311 6.867858 9.776976 
1 1 1   21   22    4 o   13.485   6.1598  -0.3328   2.9052  -4.6780   4.0846   4.1159   4.1330   12.617   6.1733   19.752   8.1739 -7.135615 10.24311 
1 1 1   21   22    5 o   16.454   6.8696   2.1310   2.9562  -3.3025   4.1655   7.6445   4.1961   13.427   6.4921   24.565   8.7013 -11.13772 10.85637 
1 1 1   21   22    6 o   11.391   5.4516  -2.3004   2.7680  -2.1781   4.0530  -2.4073   3.7894   13.843   6.6175   13.282   6.3625 0.5612431 9.180036 
1 1 1   21   22    7 o   15.227   6.4764   1.5985   2.7069  -2.5680   3.8543   5.6539   3.8026   13.175   6.3387   21.379   8.1570 -8.203941 10.33035 
1 1 1   21   22    8 o   12.347   5.7319  -0.6711   2.6631  -2.1042   3.7949   0.7192   3.7380   13.186   6.3300   15.205   6.9611 -2.018292 9.408800 
1 1 1   21   22    9 o   18.256   6.8754   3.8227   2.6807   3.6027   3.7805   4.0451   3.8017   17.756   7.6056   18.276   7.7198 -0.5201550 10.83699 
1 1 1   21   22   10 o   18.574   6.9033   4.1926   2.6841   4.1162   3.8129   4.2677   3.7791   17.891   7.6503   18.077   7.6690 -0.1856842 10.83239 
1 1 1   21   22   11 o   10.231   4.9915  -2.6730   2.6148  -3.1146   3.6754  -2.2205   3.7209   11.805   5.7926   12.342   6.0065 -0.5371590 8.344617 
1 1 1   21   23    0 o   23.829   10.344   8.1569   3.9990   8.1569   3.9990   8.1569   3.9990   23.829   10.344   23.829   10.344 0.000000 0.000000 
1 1 1   21   23    1 o   12.007   5.6440  -1.2964   2.7173  -0.7908   3.9077  -1.7698   3.7812   14.421   6.7753   13.553   6.4545 0.8682222 9.357635 
1 1 1   21   23    2 o   14.540   6.3490   1.0899   2.7374  -4.6564   3.9098   6.6146   3.8337   12.091   5.9413   22.736   8.2840 -10.64460 10.19432 
1 1 1   21   23    3 f   10.349   5.0511  -3.3634   2.6860  -4.3425   3.8474  -2.4325   3.7515   12.094   5.9328   12.995   6.2524 -0.9009342 8.619209 
1 1 1   21   23    4 o   15.931   6.6065   2.2394   2.7077   0.5450   3.8259   3.9399   3.8327   15.140   6.9723   18.606   7.7987 -3.465933 10.46097 
1 1 1   21   23    5 o   13.538   6.0890   0.5088   2.7090   3.8155   3.8864  -2.6164   3.7782   18.206   7.7523   12.721   6.1585 5.484518 9.900809 
1 1 1   21   23    6 o   24.566   6.8246   6.9189   2.7249   8.7352   3.8248   5.0468   3.8830   25.153   8.3251   19.383   7.9620 5.769602 11.51959 
1 1 1   21   23    7 o   14.069   6.2133   1.2575   2.6901   4.6511   3.8497  -1.9809   3.7607   18.536   7.7955   12.755   6.1676 5.780570 9.940316 
1 1 1   21   23    8 o   13.031   5.9956   0.3118   2.8204   3.7194   3.7447  -4.1551   4.2874   17.163   7.4609   12.208   6.0404 4.955153 9.599586 
1 1 1   21   23    9 o   13.524   6.1495   0.9307   2.8538   2.1734   4.0107  -0.3438   4.0616   15.448   7.1230   13.707   6.5716 1.741710 9.691402 
1 1 1   21   24    0 o   12.722   8.2088   2.0916   3.8084   2.0916   3.8084   2.0916   3.8084   12.722   8.2088   12.722   8.2088 0.000000 0.000000 
1 1 1   21   24    1 o   11.808   5.5559  -0.8121   2.6447   1.9649   3.7920  -3.4423   3.6903   15.623   7.0979   11.815   5.7990 3.807479 9.165641 
1 1 1   21   24    2 o   16.921   6.7784   3.3265   2.7340   2.4490   3.8458   4.2232   3.8876   16.033   7.2292   17.852   7.6807 -1.819349 10.54770 
1 1 1   21   24    3 o   11.424   5.4372  -1.2580   2.6742  -4.0908   3.7648   1.6268   3.7992   11.542   5.7016   15.194   6.9792 -3.652360 9.012054 
1 1 1   21   24    4 o   15.719   6.5572   2.6653   2.6903   1.6791   3.8435   3.6125   3.7669   15.152   6.9816   16.955   7.4246 -1.803216 10.19157 
1 1 1   21   24    5 o   12.132   5.6757  -0.3110   2.6932   2.2725   3.7960  -2.9294   3.8216   15.486   7.0612   12.031   5.9041 3.454860 9.204328 
1 1 1   21   24    6 o   14.349   6.2551   1.8644   2.6477  -2.3859   3.7082   6.2848   3.7816   12.072   5.9015   19.766   7.9534 -7.693595 9.903726 
1 1 1   21   24    7 o   17.970   7.1825   4.5402   3.0626   4.2866   4.5467   4.7507   4.1437   16.925   7.7214   17.470   7.7135 -0.5454369 10.91410 
1 1 1   21   25    0 o   9.4636   6.7300  -2.6568   4.3097  -2.6568   4.3097  -2.6568   4.3097   9.4636   6.7300   9.4636   6.7300 0.000000 0.000000 
1 1 1   22    0    0 o  385.547   3.9030  1170.17   23.609  1170.17   23.609  1170.17   23.609  385.547   3.9030  385.547   3.9030 0.000000 0.000000 
1 1 1   22    0    1 f  142.740   2.4433  160.384   5.4694  160.384   5.4694  160.384   5.4694  142.740   2.4433  142.740   2.4433 0.000000 0.000000 
1 1 1   22    0    2 o  277.566   2.4434  606.097   10.641  606.097   10.641  606.097   10.641  277.566   2.4434  277.566   2.4434 0.000000 0.000000 
1 1 1   22    0    3 o   77.933   3.1852   48.092   3.8807   48.092   3.8807   48.092   3.8807   77.933   3.1852   77.933   3.1852 0.000000 0.000000 
1 1 1   22    0    4 o   64.639   3.5268   33.248   3.5531   33.248   3.5531   33.248   3.5531   64.639   3.5268   64.639   3.5268 0.000000 0.000000 
1 1 1   22    0    5 o   63.265   4.2375   32.072   4.1631   32.072   4.1631   32.072   4.1631   63.265   4.2375   63.265   4.2375 0.000000 0.000000 
1 1 1   22    0    6 o   37.260   6.2755   11.947   3.3569   11.947   3.3569   11.947   3.3569   37.260   6.2755   37.260   6.2755 0.000000 0.000000 
1 1 1   22    0    7 o  196.124   2.3638  302.787   7.2727  302.787   7.2727  302.787   7.2727  196.124   2.3638  196.124   2.3638 0.000000 0.000000 
1 1 1   22    0    8 o   27.172   9.1254   7.6666   3.4735   7.6666   3.4735   7.6666   3.4735   27.172   9.1254   27.172   9.1254 0.000000 0.000000 
1 1 1   22    0    9 o   20.558   9.9504   5.1307   3.7431   5.1307   3.7431   5.1307   3.7431   20.558   9.9504   20.558   9.9504 0.000000 0.000000 
1 1 1   22    0   10 o   47.106   10.413   20.645   6.7319   20.645   6.7319   20.645   6.7319   47.106   10.413   47.106   10.413 0.000000 0.000000 
1 1 1   22    0   11 o   93.137   4.1926   69.262   6.0996   69.262   6.0996   69.262   6.0996   93.137   4.1926   93.137   4.1926 0.000000 0.000000 
1 1 1   22    0   12 o   61.809   5.6219   31.370   5.3440   31.370   5.3440   31.370   5.3440   61.809   5.6219   61.809   5.6219 0.000000 0.000000 
1 1 1   22    0   13 o   61.119   5.7811   30.823   5.4241   30.823   5.4241   30.823   5.4241   61.119   5.7811   61.119   5.7811 0.000000 0.000000 
1 1 1   22    0   14 o   27.922   10.968   8.9927   4.6057   8.9927   4.6057   8.9927   4.6057   27.922   10.968   27.922   10.968 0.000000 0.000000 
1 1 1   22    0   15 o   37.833   7.2950   12.874   3.8668   12.874   3.8668   12.874   3.8668   37.833   7.2950   37.833   7.2950 0.000000 0.000000 
1 1 1   22    0   16 o   44.834   5.1664   16.842   3.5098   16.842   3.5098   16.842   3.5098   44.834   5.1664   44.834   5.1664 0.000000 0.000000 
1 1 1   22    0   17 o   52.228   4.4285   22.439   3.5673   22.439   3.5673   22.439   3.5673   52.228   4.4285   52.228   4.4285 0.000000 0.000000 
1 1 1   22    0   18 o   34.410   6.9467   10.945   3.3235   10.945   3.3235   10.945   3.3235   34.410   6.9467   34.410   6.9467 0.000000 0.000000 
1 1 1   22    0   19 o   80.557   3.2486   52.221   4.0917   52.221   4.0917   52.221   4.0917   80.557   3.2486   80.557   3.2486 0.000000 0.000000 
1 1 1   22    0   20 o   10.215   6.8814  -0.7181   3.1720  -0.7181   3.1720  -0.7181   3.1720   10.215   6.8814   10.215   6.8814 0.000000 0.000000 
1 1 1   22    0   21 o   65.940   3.6402   35.502   3.7405   35.502   3.7405   35.502   3.7405   65.940   3.6402   65.940   3.6402 0.000000 0.000000 
1 1 1   22    0   22 o   18.009   9.0860   4.6419   3.1770   4.6419   3.1770   4.6419   3.1770   18.009   9.0860   18.009   9.0860 0.000000 0.000000 
1 1 1   22    0   23 o   49.606   4.5878   21.224   3.4974   21.224   3.4974   21.224   3.4974   49.606   4.5878   49.606   4.5878 0.000000 0.000000 
1 1 1   22    1    0 f  180.600   2.3639  256.615   6.6970  256.615   6.6970  256.615   6.6970  180.600   2.3639  180.600   2.3639 0.000000 0.000000 
1 1 1   22    1    2 o   60.778   2.6570   29.204   2.5281   29.398   3.5489   29.003   3.6022   60.759   3.7401   60.327   3.8246 0.4317360 5.349424 
1 1 1   22    1    3 o   83.943   2.1536   55.539   2.8347   60.082   4.0432   51.147   3.9753   87.140   2.9610   80.345   3.1590 6.795425 4.329768 
1 1 1   22    1    4 o   21.813   6.2055   3.9594   2.2252   4.2421   3.1243   3.6683   3.1699   22.994   7.5200   21.931   7.5773 1.063293 10.67552 
1 1 1   22    1    5 f   75.015   2.5495   44.462   2.9969   44.594   4.1226   44.315   4.3643   74.893   3.5175   74.595   3.7401 0.2979584 5.134341 
1 1 1   22    1    6 o   73.420   2.3692   42.566   2.7262   42.499   3.8764   42.631   3.8348   73.122   3.3873   73.248   3.3449 -0.1258392 4.760523 
1 1 1   22    1    7 o   44.939   3.4483   16.126   2.4133   16.387   3.3713   15.851   3.4560   44.927   4.8590   44.109   5.0858 0.8183136 7.033852 
1 1 1   22    1    8 o  115.355   1.9520  104.838   3.5337  103.388   4.8493  106.480   5.1600  114.342   2.7025  115.993   2.8347 -1.651970 3.916502 
1 1 1   22    1    9 o   29.695   5.8154   7.4100   2.6130   11.491   3.8371   3.8805   3.5683   36.762   6.9046   22.560   8.0208 14.20158 10.58328 
1 1 1   22    1   10 o   42.686   5.9884   15.177   3.9013   15.582   4.6917   14.271   7.0231   42.710   7.2594   39.111   10.990 3.598873 13.17100 
1 1 1   22    1   11 o   51.681   4.5655   21.689   3.6647   23.242   5.1789   20.131   5.1865   52.695   6.3934   48.704   6.9854 3.990341 9.469521 
1 1 1   22    1   12 o   48.681   4.6552   19.335   3.5131   18.283   4.9620   20.392   4.9746   46.215   7.0658   49.086   6.6270 -2.871025 9.687246 
1 1 1   22    1   13 o   25.409   7.8160   5.6384   3.4197   3.0753   4.7751   8.3369   4.8997   22.498   8.9766   30.243   9.3649 -7.744711 12.97228 
1 1 1   22    1   14 o   39.551   5.4972   13.125   3.3199   15.374   4.5410   10.541   4.8659   41.995   7.1462   33.707   9.0213 8.287403 11.50876 
1 1 1   22    1   15 f   54.432   3.3027   23.831   2.8080   23.823   4.1168   23.838   3.8397   53.623   4.9479   53.837   4.5884 -0.2138481 6.748020 
1 1 1   22    1   16 o   58.497   2.9994   27.476   2.7442   27.329   3.8550   27.628   3.9074   57.661   4.2910   57.954   4.3275 -0.2933846 6.094264 
1 1 1   22    1   17 o   18.462   6.5563   2.8105   2.3835   0.9317   3.3080   4.8392   3.4374   16.796   7.1522   22.984   7.8926 -6.187580 10.65119 
1 1 1   22    1   18 o   37.254   4.1827   11.654   2.4031   10.070   3.3850   13.264   3.4123   32.934   6.7755   38.678   5.8005 -5.743786 8.919268 
1 1 1   22    1   19 o   23.204   6.5154   5.1100   2.4694   3.0282   3.2431   7.9822   3.8093   19.132   7.4703   27.785   8.1845 -8.652788 11.08113 
1 1 1   22    1   20 o   49.683   3.1651   20.300   2.4549   20.496   3.4858   20.107   3.4580   48.700   4.6161   48.223   4.6261 0.4771194 6.535245 
1 1 1   22    1   21 o   12.110   5.4655  -0.4586   2.2039  -1.5558   3.0466   0.7459   3.1921   12.988   6.0633   15.578   6.8276 -2.589351 9.131267 
1 1 1   22    1   22 o   32.531   4.6035   9.4123   2.2846   7.6671   3.2069   11.211   3.2553   26.805   7.3873   33.869   6.3582 -7.064011 9.746729 
1 1 1   22    1   23 o   31.210   4.8599   9.0667   2.3028   9.7698   3.2513   8.3589   3.2621   29.894   7.0464   26.951   7.4594 2.942961 10.26131 
1 1 1   22    2    0 o  242.224   2.3840  461.553   9.0602  461.553   9.0602  461.553   9.0602  242.224   2.3840  242.224   2.3840 0.000000 0.000000 
1 1 1   22    2    1 o   48.027   3.2356   18.331   2.4244   15.466   3.4379   21.165   3.4194   43.662   5.1142   51.390   4.2788 -7.728542 6.668047 
1 1 1   22    2    2 o  182.013   1.6709  260.538   4.7726  259.759   6.7565  261.315   6.7425  181.531   2.3717  182.078   2.3597 -0.5471802 3.345626 
1 1 1   22    2    3 o   53.579   3.0055   22.766   2.5170   23.054   3.5421   22.471   3.5772   53.641   4.2424   52.926   4.3451 0.7142410 6.072739 
1 1 1   22    2    4 o   55.881   2.7922   24.728   2.4408   28.248   3.5019   21.403   3.4038   59.519   3.7685   51.660   4.2358 7.859318 5.669567 
1 1 1   22    2    5 o   52.312   3.5110   21.808   2.8656   22.020   4.0944   21.604   4.0120   52.140   5.0677   51.658   5.0119 0.4820366 7.127471 
1 1 1   22    2    6 f   64.540   2.5886   32.947   2.6165   33.381   3.6928   32.509   3.7078   64.711   3.6512   63.839   3.7172 0.8722000 5.210456 
1 1 1   22    2    7 f  153.567   1.7311  185.608   4.1718  184.187   5.8710  187.057   5.9290  152.745   2.4493  153.928   2.4545 -1.183151 3.467484 
1 1 1   22    2    8 o   54.903   2.9920   23.951   2.5681   24.201   3.6418   23.703   3.6220   54.841   4.2651   54.264   4.2882 0.5778084 6.048144 
1 1 1   22    2    9 f   67.117   2.7616   35.719   2.9026   35.387   4.0975   36.053   4.1122   66.445   3.9474   67.078   3.9236 -0.6330872 5.565690 
1 1 1   22    2   10 o   49.572   4.3054   19.866   3.3161   21.886   4.2648   16.779   5.2737   51.654   5.3381   44.013   7.9268 7.640766 9.556590 
1 1 1   22    2   11 o   32.969   6.9595   9.3726   3.4874   5.9207   4.8940   12.934   4.9708   26.738   9.4037   38.156   8.5175 -11.41809 12.68768 
1 1 1   22    2   12 o   21.588   7.8120   3.5433   3.4014   2.6481   4.7748   4.4657   4.8467   22.069   8.9169   24.490   9.2402 -2.420897 12.84099 
1 1 1   22    2   13 o   38.583   5.8866   12.553   3.4515   10.649   4.9137   14.407   4.8493   34.062   9.0424   40.338   7.9434 -6.275181 12.03589 
1 1 1   22    2   14 o   16.846   6.9474   1.1057   2.9720   4.2230   4.2170  -1.9710   4.1894   23.266   8.6517   16.121   7.3765 7.144583 11.36943 
1 1 1   22    2   15 f   21.802   6.8168   4.1178   2.5892   0.8260   3.7762   7.0385   3.5570   17.934   7.6392   27.807   7.8239 -9.872847 10.93486 
1 1 1   22    2   16 o   53.957   3.2408   23.488   2.7315   27.049   3.9575   20.248   3.7748   57.247   4.4399   49.185   4.9582 8.061577 6.655505 
1 1 1   22    2   17 o   32.757   5.0165   9.1937   2.4968   12.634   3.5812   5.9403   3.4827   37.681   6.2769   25.000   7.9182 12.68076 10.10431 
1 1 1   22    2   18 o   66.170   2.7820   35.332   2.8824   34.500   4.0536   36.182   4.0995   64.419   4.0299   66.026   3.9749 -1.606300 5.660391 
1 1 1   22    2   19 o   38.116   4.8200   12.598   2.8187   15.705   3.9984   9.5292   3.9742   41.238   6.3846   30.417   8.1582 10.82089 10.35956 
1 1 1   22    2   20 o   14.860   6.0738   1.3056   2.2457   0.8438   3.1175   1.8036   3.2375   15.705   6.8175   17.102   7.1680 -1.397489 9.892313 
1 1 1   22    2   21 o   15.524   6.1513   1.7597   2.2274   4.4898   3.1561  -0.9490   3.1438   21.075   7.5379   13.721   6.3193 7.354232 9.836293 
1 1 1   22    2   22 o   18.567   6.3877   3.3816   2.2518   2.3353   3.1477   4.4785   3.2228   17.152   7.1188   20.523   7.5759 -3.370846 10.39573 
1 1 1   22    2   23 o   17.705   6.3201   3.2516   2.2176   0.7445   3.1477   5.7225   3.1249   14.595   6.5640   21.891   7.5250 -7.296544 9.985558 
1 1 1   22    3    0 o   80.214   3.1914   50.936   4.0029   50.936   4.0029   50.936   4.0029   80.214   3.1914   80.214   3.1914 0.000000 0.000000 
1 1 1   22    3    1 o  159.004   1.7225  198.867   4.2982  206.664   6.1349  191.350   6.0237  161.899   2.4147  155.769   2.4642 6.129608 3.450059 
1 1 1   22    3    2 o  100.221   1.9790   79.072   3.1125   76.890   4.3759   81.307   4.4282   98.619   2.8304  101.426   2.7847 -2.806931 3.970625 
1 1 1   22    3    3 o   78.738   2.2414   48.897   2.7668   51.872   3.9415   46.008   3.8848   80.910   3.1100   76.156   3.2581 4.754097 4.504119 
1 1 1   22    3    4 o  126.362   1.7977  125.652   3.5648  126.444   5.0532  124.866   5.0297  126.577   2.5439  125.784   2.5480 0.7934036 3.600578 
1 1 1   22    3    5 o  101.179   2.1298   80.669   3.3817   78.484   5.0785   82.410   4.5328   99.465   3.2579  102.061   2.8328 -2.595291 4.317318 
1 1 1   22    3    6 o   92.477   2.0725   67.389   3.0077   63.746   4.2168   71.161   4.2912   89.687   3.0003   94.799   2.8878 -5.112427 4.164271 
1 1 1   22    3    7 o   29.522   5.2505   7.2279   2.3434   6.7430   3.2705   7.7394   3.3594   28.023   7.3480   30.033   7.2176 -2.010405 10.29988 
1 1 1   22    3    8 o   78.536   2.3053   48.724   2.8382   47.509   3.9862   49.974   4.0420   77.279   3.2945   79.274   3.2560 -1.995491 4.631970 
1 1 1   22    3    9 o   40.918   4.4138   13.586   2.7895   14.442   3.8566   12.647   4.0395   41.615   6.0854   38.563   6.9297 3.051113 9.222360 
1 1 1   22    3   10 o   44.330   4.4015   15.943   3.0216   11.879   4.1258   20.645   4.4375   37.108   7.3450   49.957   5.7660 -12.84830 9.337892 
1 1 1   22    3   11 o   42.469   4.7788   14.759   3.1297   14.863   4.4045   14.654   4.4479   41.700   6.9769   41.335   7.1135 0.3644218 9.963888 
1 1 1   22    3   12 o   53.508   3.9684   23.110   3.3086   19.412   4.6512   26.898   4.7074   47.986   6.3308   57.143   5.3101 -9.157101 8.262938 
1 1 1   22    3   13 o   66.558   3.1975   35.414   3.3300   31.776   4.8335   38.700   4.5943   62.215   4.9925   69.099   4.2574 -6.884407 6.561325 
1 1 1   22    3   14 o   32.822   5.6409   9.1494   2.8008   11.078   4.1687   7.5628   3.7813   35.132   7.7677   28.881   8.0454 6.250803 11.18332 
1 1 1   22    3   15 o   40.008   4.5102   13.229   2.7824   8.8351   3.8772   17.894   3.9954   31.033   7.9322   45.986   5.6554 -14.95360 9.741832 
1 1 1   22    3   16 o   16.086   6.4518   1.4108   2.4799  -2.4684   3.4504   5.5557   3.5667   13.807   6.4480   24.611   8.0339 -10.80365 10.30147 
1 1 1   22    3   17 o   27.511   5.9789   6.7721   2.5074   5.6051   3.5521   7.9311   3.5399   24.294   8.0222   28.796   7.6890 -4.502417 11.11201 
1 1 1   22    3   18 o   28.766   5.7019   7.4207   2.4830   8.9787   3.5565   5.9392   3.4682   30.411   7.4998   24.537   7.9155 5.874006 10.90422 
1 1 1   22    3   19 o   32.166   5.5424   9.3001   2.6967   10.286   3.8398   8.3403   3.7882   32.004   7.7325   28.379   8.1045 3.625393 11.20156 
1 1 1   22    3   20 f   18.492   6.6001   3.1210   2.4184   3.3325   3.3882   2.9013   3.4531   19.401   7.6177   18.813   7.5895 0.5874386 10.75315 
1 1 1   22    3   21 o   11.205   5.2612  -1.6413   2.3503  -2.3672   3.3582  -0.9443   3.2904   12.969   6.1495   13.989   6.4507 -1.020198 8.912251 
1 1 1   22    3   22 o   13.688   5.8447   0.8446   2.2200  -3.7746   3.1106   5.6398   3.1693   11.275   5.4884   22.571   7.5808 -11.29546 9.359041 
1 1 1   22    3   23 o   27.199   5.7597   7.4020   2.3818   8.8192   3.2717   5.8039   3.4741   27.686   7.3916   21.494   7.8774 6.191444 10.80231 
1 1 1   22    4    0 o   81.268   3.3560   52.336   4.2634   52.336   4.2634   52.336   4.2634   81.268   3.3560   81.268   3.3560 0.000000 0.000000 
1 1 1   22    4    1 o  211.923   1.6809  353.259   5.5901  358.517   7.9742  348.178   7.8386  213.231   2.3830  210.137   2.3770 3.094421 3.365858 
1 1 1   22    4    2 o  102.419   1.9924   82.594   3.2023   80.349   4.4782   84.944   4.5811  100.800   2.8338  103.648   2.8190 -2.848625 3.997174 
1 1 1   22    4    3 o  104.150   1.9718   85.410   3.2227   84.645   4.5326   86.192   4.5830  103.464   2.7941  104.404   2.7998 -0.9403152 3.955485 
1 1 1   22    4    4 o   96.323   2.0329   73.081   3.0730   74.865   4.3426   71.293   4.3491   97.270   2.8479   94.898   2.9238 2.372154 4.081624 
1 1 1   22    4    5 o   37.147   4.5705   11.203   2.6082   12.198   3.9347   10.423   3.4836   38.063   6.8386   35.215   6.5445 2.847652 9.465510 
1 1 1   22    4    6 o   67.211   2.5693   35.735   2.7049   36.397   3.8371   35.081   3.8137   67.560   3.6325   66.310   3.6793 1.250008 5.170296 
1 1 1   22    4    7 o  152.262   1.7366  182.505   4.1496  181.637   5.8454  183.386   5.8918  151.654   2.4561  152.380   2.4639 -0.7254944 3.478964 
1 1 1   22    4    8 o   42.170   3.9737   14.325   2.5987   16.042   3.7443   12.729   3.6098   44.143   5.5258   39.050   6.0891 5.092766 8.222565 
1 1 1   22    4    9 o   64.781   2.9989   33.361   3.0404   32.015   4.1706   34.888   4.4419   63.051   4.2397   65.797   4.3258 -2.746059 6.057028 
1 1 1   22    4   10 o   40.268   4.6556   13.242   2.8878   9.6152   4.0501   16.993   4.1187   33.071   7.9105   45.164   5.9563 -12.09314 9.902205 
1 1 1   22    4   11 o   66.139   3.3456   34.952   3.4612   36.941   4.9395   33.034   4.8514   67.421   4.6980   63.644   4.8950 3.776356 6.784652 
1 1 1   22    4   12 o   32.139   5.8615   8.7543   2.8473   8.4398   3.9688   9.0879   4.0873   30.723   8.1131   31.866   8.1439 -1.142889 11.49545 
1 1 1   22    4   13 o   46.266   3.9400   17.345   2.8335   21.487   4.1871   13.846   3.8486   50.904   5.3200   40.314   6.2884 10.58965 8.236925 
1 1 1   22    4   14 o   74.466   2.6361   44.134   3.0757   44.233   4.2920   44.029   4.4096   74.043   3.7056   73.808   3.8201 0.2354126 5.322035 
1 1 1   22    4   15 o   22.865   6.6464   4.6127   2.5266   3.6226   3.5504   5.6286   3.5964   21.442   7.9451   24.992   8.0603 -3.550201 11.31781 
1 1 1   22    4   16 o   46.783   3.6682   17.868   2.6716   17.417   3.7792   18.318   3.7773   45.167   5.4412   46.440   5.2763 -1.273483 7.579353 
1 1 1   22    4   17 o   31.260   5.2153   8.4790   2.4683   10.629   3.6100   6.5918   3.3825   33.868   7.0229   26.181   7.7125 7.686928 10.43094 
1 1 1   22    4   18 o   46.600   3.7057   17.991   2.6876   17.214   3.8434   18.735   3.7597   44.062   5.6911   46.362   5.2605 -2.300156 7.749937 
1 1 1   22    4   19 o   30.661   5.6964   8.5481   2.6401   10.014   3.8673   7.2684   3.6129   31.345   7.8734   26.464   8.0130 4.880543 11.23384 
1 1 1   22    4   20 o   26.236   6.1222   6.5192   2.4744   5.9022   3.5081   7.1302   3.4906   23.682   7.9758   26.024   7.8754 -2.341473 11.20878 
1 1 1   22    4   21 o   11.078   5.2186  -1.7410   2.3456  -4.9654   3.3340   1.4190   3.3006   11.255   5.5215   16.433   7.0738 -5.178473 8.973593 
1 1 1   22    4   22 o   23.859   6.2222   5.7368   2.3535   3.5706   3.3131   7.9434   3.3438   18.798   7.4847   26.671   7.6135 -7.873426 10.67643 
1 1 1   22    4   23 o   11.142   5.3124  -1.7792   2.5763   0.2390   3.8363  -3.4371   3.4769   14.810   6.8766   11.809   5.7601 3.001202 8.970299 
1 1 1   22    5    0 o  207.430   2.3905  338.620   7.7791  338.620   7.7791  338.620   7.7791  207.430   2.3905  207.430   2.3905 0.000000 0.000000 
1 1 1   22    5    1 f  101.981   2.0072   81.904   3.2123   81.651   4.5425   82.158   4.5432  101.596   2.8520  101.914   2.8434 -0.3176041 4.027278 
1 1 1   22    5    2 o   98.797   2.0258   76.878   3.1409   78.867   4.4499   74.904   4.4339   99.845   2.8429   97.283   2.9075 2.561234 4.066421 
1 1 1   22    5    3 o   65.487   2.6168   33.921   2.6839   31.528   3.7402   36.462   3.8535   62.847   3.8102   67.650   3.6432 -4.803364 5.271653 
1 1 1   22    5    4 o  115.725   1.9140  105.461   3.4760  105.604   4.9321  105.319   4.8997  115.593   2.7189  115.442   2.7046 0.1516037 3.834971 
1 1 1   22    5    5 o   94.775   2.0784   70.789   3.0912   66.268   4.3508   75.398   4.3928   91.423   3.0367   97.576   2.8719 -6.153244 4.179642 
1 1 1   22    5    6 o   94.095   2.0834   69.794   3.0764   73.638   4.3754   66.036   4.3264   96.403   2.8954   91.245   3.0256 5.157837 4.187764 
1 1 1   22    5    7 o  113.319   2.0673  101.244   3.6763   99.734   5.2033  102.748   5.1949  112.151   2.9590  113.854   2.9099 -1.702591 4.150105 
1 1 1   22    5    8 o   89.617   2.4962   63.536   3.5072   67.141   4.9988   60.041   4.9220   91.777   3.4770   86.723   3.6246 5.053940 5.022676 
1 1 1   22    5    9 o   46.938   3.9184   17.740   2.8600   15.412   4.0204   20.126   4.0693   42.929   6.1426   49.506   5.3213 -6.576321 8.126960 
1 1 1   22    5   10 o   95.592   2.4346   72.322   3.6493   74.202   5.1428   70.415   5.1792   96.435   3.4036   93.884   3.5216 2.551155 4.897528 
1 1 1   22    5   11 o   37.137   4.6387   11.318   2.6446   13.288   3.7193   9.3037   3.7611   39.665   6.1761   32.534   7.5177 7.130516 9.729320 
1 1 1   22    5   12 o   39.999   4.3011   13.056   2.6575   13.162   3.7905   12.952   3.7268   39.313   6.3613   39.020   6.3008 0.2930145 8.953559 
1 1 1   22    5   13 o   65.396   2.8723   34.102   2.9405   34.078   4.1096   34.128   4.2092   64.860   4.0579   64.857   4.1575 0.2746582E-02 5.809532 
1 1 1   22    5   14 o   24.086   6.6298   5.1081   2.5848   2.1401   3.7193   7.8806   3.5948   19.537   7.8784   29.486   7.6900 -9.948786 11.00934 
1 1 1   22    5   15 o   30.709   5.4837   8.0893   2.5457   6.8738   3.5959   9.3107   3.6045   27.274   7.9292   32.039   7.3286 -4.764458 10.79731 
1 1 1   22    5   16 o   22.671   6.6976   4.6597   2.5479   1.0267   3.5599   8.4754   3.6483   17.405   7.4156   29.948   7.7152 -12.54366 10.70125 
1 1 1   22    5   17 o   50.268   3.4518   20.684   2.7065   24.599   3.8945   17.026   3.7640   53.965   4.6438   44.171   5.5524 9.793865 7.238397 
1 1 1   22    5   18 o   37.329   4.3741   11.854   2.5139   6.8866   3.6531   16.322   3.4647   26.004   8.0918   43.204   5.2155 -17.20042 9.626978 
1 1 1   22    5   19 o   22.148   6.7147   4.7504   2.5359   0.1798   3.7850   8.4730   3.4159   16.135   7.2320   29.033   7.4583 -12.89777 10.38887 
1 1 1   22    5   20 o   12.080   5.4959  -0.6769   2.2832   1.9827   3.2185  -3.3714   3.2396   17.218   7.1764   12.072   5.8089 5.145386 9.232821 
1 1 1   22    5   21 o   26.427   5.7104   6.5792   2.2990   6.4677   3.3127   6.6827   3.1932   24.480   7.7185   25.071   7.5204 -0.5910015 10.77639 
1 1 1   22    5   22 o   18.064   6.4542   3.3007   2.3133   4.8783   3.3568   1.8738   3.1923   20.640   7.7104   16.221   6.9693 4.418747 10.39329 
1 1 1   22    5   23 o   14.828   6.4192   1.5547   2.7487   3.0408   3.9019   0.0908   3.8728   17.301   7.5667   14.623   6.8296 2.678383 10.19306 
1 1 1   22    6    0 o   61.331   3.9371   30.094   3.7530   30.094   3.7530   30.094   3.7530   61.331   3.9371   61.331   3.9371 0.000000 0.000000 
1 1 1   22    6    1 o  210.723   1.6927  349.382   5.5977  353.290   7.9710  345.579   7.8628  211.603   2.4004  209.284   2.3940 2.319107 3.390190 
1 1 1   22    6    2 f   35.767   4.2570   10.352   2.3426   11.776   3.3143   8.9295   3.3116   37.737   5.7803   32.481   6.7187 5.255966 8.862990 
1 1 1   22    6    3 o   66.007   2.5945   34.469   2.6823   32.142   3.7653   36.867   3.8221   63.437   3.7997   68.016   3.5936 -4.579239 5.229846 
1 1 1   22    6    4 o   84.526   2.2542   56.393   2.9875   56.095   4.2232   56.692   4.2267   84.048   3.2078   84.500   3.1932 -0.4518127 4.526190 
1 1 1   22    6    5 o  115.616   2.1003  105.381   3.8106  102.160   5.1871  109.158   5.6166  113.553   2.9133  117.324   3.0531 -3.771690 4.220042 
1 1 1   22    6    6 o   58.714   3.3187   27.468   3.0454   30.940   4.3148   24.021   4.2988   61.953   4.4680   54.323   5.1024 7.630547 6.782161 
1 1 1   22    6    7 o   64.506   3.0634   33.083   3.0922   35.102   4.4087   31.129   4.3382   66.045   4.2766   62.102   4.4815 3.942947 6.194640 
1 1 1   22    6    8 o   87.654   2.5541   60.829   3.5095   59.460   4.9795   62.181   4.9470   86.244   3.6877   88.245   3.5797 -2.001244 5.139403 
1 1 1   22    6    9 o   69.866   2.7249   38.736   2.9819   36.916   4.1958   40.594   4.2385   67.778   3.9620   71.147   3.8101 -3.369240 5.496785 
1 1 1   22    6   10 o   16.263   6.5371   1.2200   2.5518  -3.6443   3.5612   6.3528   3.6582   13.485   6.3759   26.927   8.0430 -13.44210 10.26359 
1 1 1   22    6   11 o   67.544   2.6479   36.235   2.8013   38.082   3.9483   34.363   3.9750   68.869   3.6665   65.314   3.8959 3.555351 5.349887 
1 1 1   22    6   12 o   59.492   2.9096   28.225   2.7082   28.832   3.8059   27.603   3.8545   59.668   4.0893   58.308   4.2415 1.359909 5.891710 
1 1 1   22    6   13 o   15.187   6.2433   0.8730   2.3901   1.7468   3.3387  -0.0455   3.4231   18.430   7.4527   16.297   7.1082 2.132959 10.29897 
1 1 1   22    6   14 o   64.100   2.7863   32.817   2.7961   29.006   3.8304   37.163   4.0911   59.636   4.1182   67.680   3.8680 -8.044136 5.649823 
1 1 1   22    6   15 o   34.656   4.9252   10.136   2.6033   9.2693   3.7428   10.949   3.6234   31.672   7.6230   34.982   6.8455 -3.310011 10.24553 
1 1 1   22    6   16 o   19.511   6.7107   3.2839   2.4853   7.5595   3.5230  -0.9517   3.5065   28.118   7.7403   15.096   6.8454 13.02243 10.33299 
1 1 1   22    6   17 f   31.044   5.5465   8.5403   2.6029   6.1306   3.5798   11.243   3.7915   24.911   8.0424   34.431   7.2467 -9.520452 10.82569 
1 1 1   22    6   18 o   17.839   6.6470   2.6701   2.4916   3.8841   3.5490   1.4903   3.4988   20.656   7.8806   17.272   7.3552 3.383303 10.77971 
1 1 1   22    6   19 o   19.470   6.6905   3.5650   2.4702   2.6776   3.5208   4.4252   3.4666   18.597   7.6038   21.210   7.8522 -2.612204 10.93044 
1 1 1   22    6   20 o   19.004   6.5194   3.4227   2.3451   0.1173   3.3449   6.6181   3.2888   15.144   6.7925   25.098   7.6545 -9.953906 10.23375 
1 1 1   22    6   21 o   18.252   6.3910   3.2012   2.2589   0.6651   3.1643   5.8366   3.2256   15.183   6.7203   23.160   7.6445 -7.977395 10.17844 
1 1 1   22    6   22 o   18.665   6.3941   3.6439   2.2557   6.8990   3.2152   0.4889   3.1654   24.237   7.5989   14.459   6.5355 9.777991 10.02277 
1 1 1   22    6   23 o   20.478   6.6470   4.7867   2.4433   6.8563   3.2483   2.0899   3.7079   23.196   7.6719   16.097   7.1907 7.098833 10.51494 
1 1 1   22    7    0 o  297.636   2.5232  697.513   11.783  697.513   11.783  697.513   11.783  297.636   2.5232  297.636   2.5232 0.000000 0.000000 
1 1 1   22    7    1 o   88.466   2.1986   61.714   3.0523   64.084   4.3465   59.409   4.2874   89.882   3.0861   86.513   3.1633 3.368446 4.419300 
1 1 1   22    7    2 f   34.954   4.4744   9.9348   2.3982   10.414   3.3923   9.4555   3.3908   35.215   6.3729   33.411   6.7003 1.803951 9.247051 
1 1 1   22    7    3 o  124.866   2.1389  122.936   4.1912  122.073   5.9484  123.787   5.9064  124.115   3.0540  125.000   3.0110 -0.8854065 4.288707 
1 1 1   22    7    4 o   48.939   4.2186   19.292   3.2083   19.136   4.1377   19.528   5.0806   48.286   5.5619   48.233   6.9094 0.5356216E-01 8.869802 
1 1 1   22    7    5 o  133.512   2.0926  140.568   4.3845  144.182   6.2894  137.151   6.1155  134.877   2.9714  131.552   2.9623 3.325851 4.195778 
1 1 1   22    7    6 o  100.338   2.3829   79.531   3.7521   77.496   5.2890   81.592   5.3237   98.638   3.4220  101.243   3.3554 -2.604973 4.792555 
1 1 1   22    7    7 o   48.695   3.5815   19.001   2.7177   13.842   3.7640   24.620   3.9281   40.687   6.0814   55.120   4.5826 -14.43264 7.614649 
1 1 1   22    7    8 o   36.906   4.4483   11.111   2.5244   11.793   3.7424   10.542   3.4194   37.224   6.6506   35.239   6.4198 1.984596 9.243636 
1 1 1   22    7    9 o  110.162   2.1303   95.828   3.6828   98.652   5.2932   93.178   5.1273  111.375   3.0313  108.244   3.0214 3.131134 4.279917 
1 1 1   22    7   10 o  118.993   1.9279  111.722   3.6000  111.774   5.0866  111.671   5.0957  118.689   2.7310  118.631   2.7372 0.5801392E-01 3.866561 
1 1 1   22    7   11 f   17.495   6.5442   2.0799   2.4198   0.3184   3.4100   3.8667   3.4344   16.800   7.2102   22.092   7.8673 -5.292015 10.67153 
1 1 1   22    7   12 f   21.874   6.5724   4.1159   2.4373   6.3586   3.5110   2.0298   3.3862   26.680   7.8571   18.969   7.5623 7.710487 10.90516 
1 1 1   22    7   13 o   99.481   2.0796   78.312   3.2466   79.555   4.6334   77.112   4.5505   99.796   2.9618   98.255   2.9545 1.541420 4.183503 
1 1 1   22    7   14 o   57.570   2.9357   26.567   2.6435   30.116   3.8586   23.427   3.6290   60.725   4.0726   53.366   4.3714 7.358116 5.974597 
1 1 1   22    7   15 o   22.754   6.4648   4.6590   2.4165   5.8853   3.4933   3.5337   3.3463   25.075   7.9288   20.773   7.7103 4.302147 11.05958 
1 1 1   22    7   16 o   16.266   6.3854   1.7487   2.3802   1.3719   3.3556   2.1304   3.3768   17.305   7.2779   18.362   7.4696 -1.057358 10.42894 
1 1 1   22    7   17 o   19.767   6.7852   3.5434   2.5404   2.2048   3.5862   4.8917   3.5992   18.449   7.6224   22.523   8.0503 -4.074020 11.08640 
1 1 1   22    7   18 o   21.146   6.8234   4.2914   2.5771   3.5086   3.4565   5.2713   3.8670   19.894   7.7279   22.772   8.3165 -2.877806 11.35275 
1 1 1   22    7   19 f   13.708   5.9999   0.2876   2.4574   3.3262   3.4998  -2.6675   3.4513   19.409   7.7042   13.031   6.1950 6.377535 9.886029 
1 1 1   22    7   20 o   16.711   6.5152   2.2835   2.4638  -0.9860   3.4890   5.5356   3.4797   14.297   6.6105   22.741   7.9344 -8.443969 10.32730 
1 1 1   22    7   21 o   12.967   5.7410   0.2054   2.3109   0.8907   3.3919  -0.3883   3.1569   15.592   6.9267   13.944   6.3888 1.648713 9.423103 
1 1 1   22    7   22 o   27.470   5.5097   7.4081   2.2925   7.6634   3.2196   7.1456   3.2649   25.451   7.5315   24.303   7.6627 1.148520 10.74432 
1 1 1   22    8    0 o   58.695   6.1094   28.425   5.4752   28.425   5.4752   28.425   5.4752   58.695   6.1094   58.695   6.1094 0.000000 0.000000 
1 1 1   22    8    1 o  106.538   2.4955   89.673   4.1723   95.266   6.0574   84.625   5.7551  109.381   3.5335  103.072   3.5634 6.308998 5.018328 
1 1 1   22    8    2 o   68.494   3.2540   37.328   3.4876   38.831   5.0556   35.963   4.8174   69.360   4.6719   66.756   4.6271 2.603867 6.575480 
1 1 1   22    8    3 o   57.913   3.3782   26.747   3.0569   30.569   4.3882   23.144   4.2608   61.525   4.5778   53.278   5.1606 8.246662 6.898392 
1 1 1   22    8    4 o   83.790   3.0408   55.758   3.9917   57.055   5.3933   54.186   5.9360   84.355   4.0863   81.951   4.6345 2.403847 6.178723 
1 1 1   22    8    5 o  100.082   2.1431   79.035   3.3659   80.745   4.9118   77.520   4.6216  100.803   3.1087   98.817   2.9837 1.986458 4.308890 
1 1 1   22    8    6 o   73.517   2.4643   42.783   2.8390   45.028   4.0513   40.616   3.9796   75.113   3.4461   71.287   3.5687 3.826363 4.960990 
1 1 1   22    8    7 o   75.449   2.4486   45.069   2.8953   43.922   4.1037   46.206   4.0856   74.121   3.5382   76.070   3.4312 -1.948837 4.928684 
1 1 1   22    8    8 o  100.196   2.1547   79.284   3.3881   80.939   5.0708   77.950   4.5537  100.793   3.2099   99.036   2.9332 1.756889 4.348253 
1 1 1   22    8    9 o   46.356   3.5421   17.271   2.5573   18.693   3.6963   15.965   3.5417   47.690   5.0138   43.945   5.2387 3.745110 7.251320 
1 1 1   22    8   10 o   97.988   2.1291   75.881   3.2740   77.210   4.6750   74.602   4.5865   98.438   3.0299   96.762   3.0241 1.675896 4.280863 
1 1 1   22    8   11 o   55.400   3.0954   24.549   2.6804   24.502   3.7840   24.596   3.7974   54.805   4.4376   54.907   4.4450 -0.1017685 6.280984 
1 1 1   22    8   12 f   72.615   2.5425   41.932   2.8928   49.991   4.1886   34.582   4.0000   78.893   3.3911   65.332   3.9195 13.56084 5.182881 
1 1 1   22    8   13 o   17.865   6.5389   2.3793   2.3927   1.1648   3.3768   3.6038   3.3907   17.567   7.3387   21.274   7.7846 -3.707098 10.69844 
1 1 1   22    8   14 o   17.314   6.5086   2.1571   2.3998   3.4612   3.4492   0.9334   3.3411   20.886   7.8130   17.049   7.2209 3.837564 10.63886 
1 1 1   22    8   15 f   12.593   5.6543  -0.6372   2.3246   0.7544   3.3358  -1.9510   3.2412   16.595   7.1269   13.601   6.3172 2.993887 9.523651 
1 1 1   22    8   16 o   23.935   6.1901   5.2645   2.3423   8.4531   3.3525   2.2234   3.2740   29.750   7.2485   18.224   7.3763 11.52577 10.34173 
1 1 1   22    8   17 o   34.299   4.5954   10.129   2.4113   13.836   3.4239   6.4807   3.3965   39.276   5.7233   25.339   7.7885 13.93670 9.665214 
1 1 1   22    8   18 o   36.561   5.0849   11.826   2.8386   12.857   4.0351   10.816   3.9941   36.031   7.3846   32.400   7.9225 3.630890 10.83043 
1 1 1   22    8   19 o   15.468   6.3663   1.4861   2.4889  -0.8143   3.5031   3.8311   3.5369   14.555   6.6913   20.085   7.8130 -5.530345 10.28674 
1 1 1   22    8   20 o   40.656   4.1942   14.287   2.6376   13.062   3.7206   15.525   3.7396   36.369   6.7679   40.495   6.0715 -4.126301 9.092179 
1 1 1   22    8   21 f   25.176   6.3442   6.4899   2.5051   7.6117   3.5405   5.3654   3.5450   25.355   7.9775   21.354   7.9340 4.000790 11.25115 
1 1 1   22    8   22 o   14.764   6.2005   1.7316   2.4302   2.4204   3.4871   1.0813   3.3885   16.458   7.1765   14.968   6.7641 1.489781 9.861762 
1 1 1   22    9    0 o   18.080   10.363   3.6518   4.6628   3.6518   4.6628   3.6518   4.6628   18.080   10.363   18.080   10.363 0.000000 0.000000 
1 1 1   22    9    1 o   60.375   3.6514   29.158   3.4434   30.365   5.0595   28.116   4.6998   60.968   5.3420   58.733   5.1512 2.235363 7.421014 
1 1 1   22    9    2 f   23.571   6.9958   4.7090   2.7745   6.8509   3.9449   2.6123   3.9031   28.065   8.3447   20.963   8.1923 7.101156 11.69398 
1 1 1   22    9    3 o   72.685   2.7120   41.887   3.0880   47.357   4.4366   36.746   4.3009   76.961   3.6841   67.629   4.0713 9.331642 5.490708 
1 1 1   22    9    4 o  108.089   2.5395   92.421   4.3075   91.693   6.0027   93.194   6.1849  107.181   3.5738  108.014   3.6540 -0.8329468 5.111152 
1 1 1   22    9    5 o   30.803   5.4668   7.9390   2.5458   7.0904   3.6199   8.7696   3.5811   28.453   7.8513   31.761   7.3331 -3.308472 10.74323 
1 1 1   22    9    6 o  147.403   1.8995  171.323   4.3939  172.592   6.2614  170.092   6.1676  147.579   2.7036  146.518   2.6824 1.061508 3.808479 
1 1 1   22    9    7 o   40.622   4.1749   13.396   2.6236   15.668   3.7648   11.252   3.6582   43.393   5.6637   36.262   6.6743 7.130947 8.753448 
1 1 1   22    9    8 o   96.770   2.2479   74.038   3.4137   75.772   4.9090   72.414   4.7504   97.463   3.2140   95.293   3.1811 2.170334 4.522017 
1 1 1   22    9    9 o  141.908   2.1109  159.130   4.7010  166.524   7.3441  153.998   6.1188  144.480   3.2391  139.229   2.8005 5.251373 4.281857 
1 1 1   22    9   10 o   63.647   3.0104   32.344   2.9983   39.692   4.2963   25.368   4.1863   70.113   3.9203   55.574   4.8486 14.53826 6.235178 
1 1 1   22    9   11 o   74.095   2.6044   43.674   3.0236   46.185   4.1662   40.878   4.3951   75.779   3.5129   71.049   3.9575 4.730019 5.291780 
1 1 1   22    9   12 o   19.036   6.7261   2.8705   2.5059   5.9258   3.5174  -0.2787   3.5711   25.617   7.9350   16.271   7.1734 9.345819 10.69686 
1 1 1   22    9   13 o   28.624   5.7683   7.1233   2.5015   2.4678   3.4512   12.276   3.6309   19.408   7.6674   37.427   6.4125 -18.01932 9.995456 
1 1 1   22    9   14 o   74.155   2.5078   43.947   2.9142   43.308   4.0879   44.607   4.1556   72.928   3.5828   74.012   3.5886 -1.083458 5.070930 
1 1 1   22    9   15 o   13.441   5.8902  -0.0300   2.3751   1.9570   3.3664  -1.9994   3.3514   18.074   7.4176   13.730   6.3929 4.343529 9.792340 
1 1 1   22    9   16 o   22.691   6.4625   4.8300   2.4119   1.2866   3.3773   8.5180   3.4456   16.967   7.2258   29.517   7.4417 -12.54976 10.37265 
1 1 1   22    9   17 o   33.573   4.8841   9.8729   2.4978   11.300   3.5747   8.5115   3.4917   34.319   6.8771   29.046   7.5809 5.273071 10.23541 
1 1 1   22    9   18 o   19.116   6.6750   3.4338   2.4630   9.6738   3.6439  -1.8155   3.3422   30.732   7.5988   13.444   6.3004 17.28813 9.871008 
1 1 1   22    9   19 o   11.146   5.2080  -1.4287   2.2561  -1.4986   3.2171  -1.3610   3.1648   13.347   6.2307   13.357   6.2168 -0.1032543E-01 8.801723 
1 1 1   22    9   20 o   14.282   6.0158   1.1081   2.2983   2.9601   3.2807  -0.6769   3.2207   18.139   7.3685   13.853   6.3858 4.286275 9.750568 
1 1 1   22    9   21 o   11.819   5.5042  -0.8984   2.4867  -1.8617   3.3871   0.2278   3.6624   12.761   6.0862   14.789   6.8147 -2.028629 9.136837 
1 1 1   22    9   22 o   13.818   6.1192   0.9761   2.6266   4.4127   3.7613  -2.2949   3.6696   18.621   7.7595   12.599   6.0921 6.022066 9.865224 
1 1 1   22   10    0 o   21.038   9.4161   5.2445   3.3094   5.2445   3.3094   5.2445   3.3094   21.038   9.4161   21.038   9.4161 0.000000 0.000000 
1 1 1   22   10    1 o   16.555   6.3869   1.6038   2.3489   2.3157   3.2967   0.8698   3.3476   19.510   7.5558   17.507   7.3097 2.003277 10.51295 
1 1 1   22   10    2 o   70.588   2.7134   39.531   3.0001   41.707   4.2652   37.399   4.2207   72.140   3.7807   68.233   3.9587 3.906715 5.474059 
1 1 1   22   10    3 o   95.260   2.2673   71.691   3.3894   76.963   4.7998   66.448   4.7870   98.357   3.1136   91.286   3.3472 7.070297 4.571454 
1 1 1   22   10    4 o   23.161   7.1141   4.5515   2.8344   3.3050   3.9995   5.8092   4.0173   21.991   8.3717   26.066   8.5275 -4.074389 11.94998 
1 1 1   22   10    5 o  116.136   2.1036  106.487   3.8338  109.658   5.4208  103.313   5.4229  117.471   2.9429  113.974   3.0346 3.496933 4.227214 
1 1 1   22   10    6 o   45.768   3.9225   16.922   2.7902   18.978   3.9166   14.803   3.9758   47.948   5.2931   41.877   6.2401 6.071602 8.182696 
1 1 1   22   10    7 o  129.507   2.0188  132.429   4.1030  133.197   5.7975  131.658   5.8075  129.480   2.8532  128.717   2.8751 0.7622986 4.050511 
1 1 1   22   10    8 o   14.689   6.2939   0.1683   2.5904   1.7106   3.6658  -1.3699   3.6609   19.071   7.7733   15.557   7.0303 3.514097 10.48089 
1 1 1   22   10    9 o   65.283   3.5049   34.237   3.5776   39.445   5.0538   29.006   5.0650   69.480   4.6620   59.054   5.5298 10.42616 7.232769 
1 1 1   22   10   10 o   14.161   6.2086  -0.2733   2.6410   0.5348   3.6570  -1.1541   3.8179   17.442   7.4760   16.006   7.2113 1.436546 10.38721 
1 1 1   22   10   11 o   19.091   6.8593   2.8326   2.6167   0.5629   3.6902   5.1280   3.7111   17.455   7.4961   24.192   8.2031 -6.737022 11.11229 
1 1 1   22   10   12 o   19.413   6.8552   3.0504   2.6028   6.6978   3.6045  -0.9237   3.7625   26.921   7.9695   15.932   7.1701 10.98898 10.72027 
1 1 1   22   10   13 o   65.735   2.9633   34.758   3.0490   31.417   4.1942   38.503   4.4402   61.610   4.3663   68.394   4.1566 -6.784176 6.028377 
1 1 1   22   10   14 o   52.663   3.3629   22.607   2.7647   18.879   3.8568   26.547   3.9651   46.794   5.3480   56.253   4.5299 -9.458519 7.008636 
1 1 1   22   10   15 o   20.255   6.7698   3.7489   2.5278   2.1049   3.5734   5.3957   3.5763   18.366   7.6003   23.487   8.0510 -5.121284 11.07173 
1 1 1   22   10   16 o   17.132   6.6170   2.2888   2.5233   3.9229   3.5927   0.6978   3.5449   20.697   7.9209   16.397   7.1906 4.300314 10.69790 
1 1 1   22   10   17 o   24.257   6.5156   5.6956   2.5326   6.4740   3.5827   4.9180   3.5807   24.756   8.0499   22.006   8.0078 2.749727 11.35458 
1 1 1   22   10   18 o   47.818   3.6758   19.209   2.7372   22.728   3.8937   15.770   3.8487   50.722   4.9548   40.983   6.1758 9.738678 7.917696 
1 1 1   22   10   19 o   20.935   7.0200   4.4746   2.7178   4.3278   3.8857   4.6152   3.8028   20.542   8.1294   20.947   8.1144 -0.4051647 11.48610 
1 1 1   22   10   20 o   14.978   6.3794   1.3854   2.6329   3.9279   3.7803  -1.0097   3.6692   19.233   7.8732   14.084   6.6005 5.149481 10.27395 
1 1 1   22   10   21 o   12.697   5.8116  -0.1097   2.6030  -3.1424   3.7700   2.6534   3.5985   12.417   6.0438   16.818   7.3124 -4.400578 9.486762 
1 1 1   22   11    0 o   40.990   5.9157   14.267   3.5751   14.267   3.5751   14.267   3.5751   40.990   5.9157   40.990   5.9157 0.000000 0.000000 
1 1 1   22   11    1 o   51.875   3.2696   21.513   2.6482   24.170   3.7023   18.729   3.7894   54.618   4.3555   47.735   5.1395 6.883179 6.736856 
1 1 1   22   11    2 o   72.162   2.5240   41.277   2.8538   44.107   4.0508   38.487   4.0212   74.261   3.4856   69.269   3.7128 4.992149 5.092606 
1 1 1   22   11    3 o   42.536   4.0190   14.648   2.6510   15.162   3.8762   14.197   3.6337   42.525   5.9727   41.212   5.7769 1.312996 8.309380 
1 1 1   22   11    4 o   51.435   3.3712   21.195   2.7062   20.596   3.7967   21.814   3.8582   50.138   4.8874   51.641   4.8163 -1.503075 6.861780 
1 1 1   22   11    5 o   16.736   6.5973   1.5231   2.5501  -1.1058   3.4283   4.7794   3.8154   15.298   6.8678   24.029   8.3126 -8.730908 10.78271 
1 1 1   22   11    6 o   90.964   2.4359   65.585   3.4741   62.087   4.7931   69.456   5.0425   88.045   3.4758   93.141   3.4558 -5.095940 4.901427 
1 1 1   22   11    7 f   47.357   3.8186   18.132   2.8139   15.450   3.8996   21.045   4.0643   42.789   5.9697   50.431   5.2105 -7.642441 7.923807 
1 1 1   22   11    8 o  106.077   2.2128   89.052   3.6835   88.486   5.1667   89.637   5.2530  105.246   3.1317  105.909   3.1641 -0.6630707 4.451899 
1 1 1   22   11    9 o   15.172   6.5739   0.0466   2.8878  -0.0564   3.6852   0.2105   4.6483   16.815   7.3540   18.895   8.2615 -2.080059 11.06043 
1 1 1   22   11   10 o   65.393   2.9549   34.220   3.0245   35.617   4.3621   32.928   4.1973   66.051   4.2306   63.495   4.2366 2.555374 5.987191 
1 1 1   22   11   11 o   23.850   6.8026   5.0822   2.6705   1.3057   3.9979   8.1250   3.5886   18.738   7.9158   29.728   7.6484 -10.99027 11.00715 
1 1 1   22   11   12 o   13.060   5.8393  -0.6006   2.4510  -1.6877   3.3830   0.6005   3.5560   14.267   6.5651   16.970   7.3239 -2.703244 9.835681 
1 1 1   22   11   13 o   35.967   4.6452   10.956   2.5607   11.596   3.6204   10.315   3.6224   35.691   6.7103   33.309   7.1442 2.381580 9.801435 
1 1 1   22   11   14 o   13.898   6.0454   0.2006   2.4617   2.0817   3.6290  -1.4026   3.3503   18.461   7.6512   14.166   6.5239 4.295190 10.05495 
1 1 1   22   11   15 o   34.304   4.8370   10.224   2.5317   8.5796   3.5601   11.907   3.6011   29.295   7.6590   35.601   6.6912 -6.306173 10.17018 
1 1 1   22   11   16 o   16.233   6.5421   1.8131   2.5629   1.6763   3.6044   1.9529   3.6448   17.439   7.4471   17.822   7.5449 -0.3824825 10.60113 
1 1 1   22   11   17 o   31.025   5.6025   8.8387   2.6274   11.380   3.7945   6.4983   3.6416   33.557   7.4044   24.539   8.1233 9.017731 10.99150 
1 1 1   22   11   18 o   16.519   6.5475   2.1616   2.5243   2.5412   3.6375   1.8089   3.5059   18.159   7.6034   17.126   7.3298 1.032513 10.56114 
1 1 1   22   11   19 o   15.157   6.1961   1.6386   2.3375  -1.0239   3.3323   4.2178   3.2797   13.705   6.3791   19.995   7.5882 -6.290099 9.913310 
1 1 1   22   11   20 o   10.433   4.9864  -1.9284   2.2993  -3.2458   3.2695  -0.6392   3.2343   11.625   5.6515   13.416   6.2577 -1.790248 8.432014 
1 1 1   22   11   21 o   10.596   5.0275  -1.3903   2.2511  -0.3608   3.2354  -2.3563   3.1341   13.291   6.2189   11.666   5.6385 1.624276 8.394435 
1 1 1   22   12    0 o   13.177   8.1880   1.1560   3.4010   1.1560   3.4010   1.1560   3.4010   13.177   8.1880   13.177   8.1880 0.000000 0.000000 
1 1 1   22   12    1 o   93.038   2.2891   68.472   3.3422   67.414   4.6067   69.648   4.8564   91.911   3.1988   93.363   3.3198 -1.452293 4.610141 
1 1 1   22   12    2 o   25.359   6.2732   5.5548   2.4826   3.7469   3.4930   7.4001   3.5290   21.968   7.9210   28.884   7.6611 -6.915960 11.01973 
1 1 1   22   12    3 o   67.869   2.7098   36.621   2.8803   35.503   4.0708   37.741   4.0758   66.349   3.9272   68.469   3.8083 -2.119766 5.470476 
1 1 1   22   12    4 o   92.041   2.3103   67.091   3.3344   58.708   4.5067   77.230   4.9565   85.654   3.3593   98.336   3.2162 -12.68224 4.650658 
1 1 1   22   12    5 o   56.499   3.1305   25.533   2.7648   26.981   3.9034   24.075   3.9166   57.584   4.3517   54.242   4.6459 3.341698 6.365661 
1 1 1   22   12    6 o   41.009   4.3509   13.767   2.7574   13.851   3.7228   13.666   4.1040   40.381   6.0618   39.715   6.8310 0.6654358 9.132790 
1 1 1   22   12    7 f  104.948   2.1150   87.134   3.4834   90.940   4.9623   83.438   4.8909  106.755   2.9649  102.203   3.0529 4.552704 4.255640 
1 1 1   22   12    8 f   39.421   4.2885   12.768   2.6103   14.215   3.7285   11.376   3.6556   40.794   6.0035   36.061   6.7066 4.733120 9.001136 
1 1 1   22   12    9 o   44.604   4.2647   16.339   2.9489   9.2259   3.8206   26.821   4.6378   31.780   7.7349   56.619   5.2806 -24.83931 9.365554 
1 1 1   22   12   10 o   37.818   4.9291   12.014   2.8558   14.780   4.0581   9.3003   4.0195   41.076   6.5126   31.550   8.0827 9.525110 10.38002 
1 1 1   22   12   11 o   19.497   7.2493   2.9952   2.9605   2.8765   4.6090   3.0786   3.8627   21.160   8.6811   20.601   8.1201 0.5582943 11.88686 
1 1 1   22   12   12 o   43.812   4.2810   16.025   2.9059   14.149   4.1131   17.894   4.1061   39.348   6.9131   45.130   5.9418 -5.782383 9.115701 
1 1 1   22   12   13 o   15.127   6.4239   0.7759   2.6560   0.1069   3.6775   1.5053   3.8402   16.268   7.2204   18.054   7.6975 -1.785933 10.55391 
1 1 1   22   12   14 o   58.242   3.4129   27.907   3.1057   26.840   4.5578   28.832   4.2433   55.345   5.3129   58.026   4.7001 -2.681171 7.093482 
1 1 1   22   12   15 o   14.217   6.1808   0.4364   2.5703   2.4079   3.6800  -1.4415   3.5916   18.460   7.6823   14.335   6.6553 4.124797 10.16423 
1 1 1   22   12   16 o   24.910   6.5196   6.0493   2.5778   9.0238   3.7023   3.2505   3.5913   29.286   7.8827   19.300   7.7560 9.985760 11.05861 
1 1 1   22   12   17 o   11.538   5.3640  -1.2691   2.3451  -3.5847   3.3118   1.0596   3.3211   12.016   5.8048   16.050   7.0010 -4.033666 9.094481 
1 1 1   22   12   18 o   31.014   5.1441   8.7940   2.4160   9.9777   3.4725   7.6832   3.3636   30.950   7.2734   26.574   7.6520 4.375727 10.55723 
1 1 1   22   12   19 o   11.266   5.2699  -1.1632   2.3208   0.8499   3.2983  -3.1371   3.2661   15.087   6.7575   11.805   5.7177 3.281592 8.851925 
1 1 1   22   12   20 o   9.8140   4.7943  -3.0571   2.4346  -1.9183   3.3594  -4.3169   3.5333   12.429   5.9638   11.349   5.5905 1.080658 8.174391 
1 1 1   22   13    0 o   24.162   9.7652   6.7218   3.6155   6.7218   3.6155   6.7218   3.6155   24.162   9.7652   24.162   9.7652 0.000000 0.000000 
1 1 1   22   13    1 o   41.317   4.0641   13.891   2.6010   12.881   3.7013   14.877   3.6559   38.836   6.2880   42.089   5.6799 -3.252697 8.473512 
1 1 1   22   13    2 o   79.364   2.4252   49.967   3.0169   52.765   4.3273   47.322   4.2083   81.131   3.4063   76.779   3.5019 4.352417 4.885347 
1 1 1   22   13    3 o   76.404   2.5588   46.380   3.0636   50.208   4.4126   42.818   4.2569   79.040   3.5667   72.896   3.7336 6.143723 5.163407 
1 1 1   22   13    4 o   18.864   6.7684   2.7122   2.5469   8.3315   3.6512  -2.6131   3.5544   30.462   7.6496   14.146   6.5855 16.31613 10.09379 
1 1 1   22   13    5 o   67.265   2.7298   36.054   2.8756   35.011   4.0625   37.101   4.0708   65.733   3.9566   67.731   3.8457 -1.998459 5.517623 
1 1 1   22   13    6 o   69.483   2.8398   38.545   3.0899   36.219   4.1671   41.387   4.6053   66.789   3.9941   71.327   4.1320 -4.538216 5.746798 
1 1 1   22   13    7 o   17.579   6.6440   2.1388   2.5082   4.8686   3.6011  -0.4333   3.4955   23.652   8.0796   15.934   7.0576 7.718248 10.72800 
1 1 1   22   13    8 o   32.645   5.2268   9.0465   2.5873   12.628   3.7304   5.7265   3.5917   37.987   6.4907   25.105   8.0512 12.88173 10.34166 
1 1 1   22   13    9 o   15.875   6.4668   1.2108   2.5353   0.0680   3.6200   2.3108   3.5517   16.578   7.2684   19.258   7.7221 -2.680204 10.60476 
1 1 1   22   13   10 o   18.943   6.7355   2.9601   2.5164   4.1502   3.5370   1.7404   3.5809   21.901   7.9605   18.345   7.6014 3.556591 11.00684 
1 1 1   22   13   11 o   23.789   7.2596   5.3150   2.9576   7.9861   4.2064   2.7033   4.1593   28.202   8.6674   20.097   8.2461 8.105164 11.96331 
1 1 1   22   13   12 o   13.188   5.9695  -0.7559   2.6519  -5.5095   3.7548   3.9751   3.7459   12.225   5.9681   21.238   8.0978 -9.013388 10.05942 
1 1 1   22   13   13 o   25.333   6.7432   6.1410   2.7279   7.5964   3.8417   4.6610   3.8742   27.074   8.2761   22.040   8.2730 5.033598 11.70200 
1 1 1   22   13   14 o   25.769   6.5606   6.3910   2.6595   7.1661   3.8161   5.6590   3.7086   25.943   8.2967   23.349   8.1880 2.594057 11.65668 
1 1 1   22   13   15 o   24.947   6.6421   6.1069   2.6463   8.0302   3.7717   4.2420   3.7139   27.281   8.1710   20.807   8.0300 6.474281 11.45625 
1 1 1   22   13   16 o   27.413   6.3056   7.2639   2.6561   8.5988   3.7017   5.8473   3.8133   28.218   7.9959   23.107   8.2831 5.111101 11.51279 
1 1 1   22   13   17 o   14.460   6.3430   0.5981   2.7600   1.0688   3.8429   0.0967   3.9665   16.562   7.3643   15.821   7.2157 0.7409220 10.31010 
1 1 1   22   13   18 o   19.715   7.0273   4.1457   2.7407   5.8599   3.8887   2.4536   3.8634   21.986   8.2808   17.529   7.5995 4.456570 11.23943 
1 1 1   22   13   19 o   17.851   6.8012   3.4821   2.6411   1.1135   3.8521   5.5834   3.6281   15.522   7.0912   20.754   7.9555 -5.232311 10.65720 
1 1 1   22   13   20 o   14.051   6.1179   1.3442   2.5265   1.9611   3.5697   0.7251   3.5763   15.630   7.0131   14.502   6.7006 1.127936 9.699557 
1 1 1   22   14    0 o   30.906   8.9554   9.5867   3.7684   9.5867   3.7684   9.5867   3.7684   30.906   8.9554   30.906   8.9554 0.000000 0.000000 
1 1 1   22   14    1 o   22.037   6.7479   4.2085   2.5525   3.9464   3.5910   4.4763   3.6289   22.156   8.0256   23.089   8.0994 -0.9323463 11.40216 
1 1 1   22   14    2 o   53.252   3.3844   22.834   2.8136   23.123   3.9510   22.536   4.0078   52.914   4.8106   52.156   4.9561 0.7586670 6.906835 
1 1 1   22   14    3 o   57.271   3.1716   26.329   2.8393   22.618   3.9606   30.252   4.0726   52.261   4.8858   60.847   4.2926 -8.585258 6.503630 
1 1 1   22   14    4 o   82.134   2.5409   53.684   3.2711   55.125   4.8371   52.471   4.4405   82.559   3.7432   80.685   3.5154 1.873802 5.135147 
1 1 1   22   14    5 o   26.121   6.4560   6.0367   2.6311   4.1690   3.7063   7.9343   3.7358   22.477   8.1517   29.356   7.9256 -6.879236 11.36949 
1 1 1   22   14    6 o   32.168   5.7942   8.9366   2.8174   11.503   3.7637   5.6651   4.2492   35.958   6.9209   25.110   8.7674 10.84816 11.16988 
1 1 1   22   14    7 o   36.403   4.7593   11.112   2.6538   14.741   3.8383   7.7878   3.6732   41.214   6.1200   28.895   7.8833 12.31857 9.980023 
1 1 1   22   14    8 o   13.177   5.9893  -1.0887   2.7036  -4.9258   3.8223   2.7529   3.8246   12.929   6.2432   20.116   8.0311 -7.187048 10.17229 
1 1 1   22   14    9 o   15.807   6.5916   1.0451   2.7171   1.7006   3.9183   0.4381   3.7709   18.683   7.8614   17.015   7.4403 1.667391 10.82402 
1 1 1   22   14   10 o   44.823   4.1580   16.770   2.8914   14.833   4.0831   18.717   4.0951   40.322   6.6868   46.149   5.7811 -5.826893 8.839391 
1 1 1   22   14   11 o   12.161   5.7554  -2.5226   2.9143  -2.5369   4.1286  -2.5085   4.1143   14.793   6.9544   14.786   6.9484 0.6951332E-02 9.830756 
1 1 1   22   14   12 o   27.730   6.2888   7.1871   2.6735   6.3872   3.7277   8.0344   3.8365   24.887   8.2180   27.822   8.2184 -2.935249 11.62231 
1 1 1   22   14   13 o   19.306   6.9770   3.4415   2.7120   2.3018   3.8133   4.6079   3.8577   18.438   7.7567   21.604   8.2224 -3.166338 11.30377 
1 1 1   22   14   14 o   25.551   6.7381   6.4437   2.7400   7.8725   3.8649   5.0002   3.8849   26.828   8.3191   21.948   8.2746 4.879740 11.73353 
1 1 1   22   14   15 f   11.995   5.6121  -1.5538   2.6341  -2.4454   3.6590  -0.5946   3.7951   13.481   6.4001   15.149   6.9645 -1.667536 9.458603 
1 1 1   22   14   16 o   11.897   5.5657  -1.4559   2.5893  -7.5994   3.6232   4.9564   3.7016   10.593   5.2919   21.411   8.0759 -10.81822 9.655304 
1 1 1   22   14   17 o   11.547   5.4777  -1.8986   2.6707   0.8542   3.6276  -5.1564   3.9464   15.744   7.0665   12.121   5.9585 3.623053 9.243347 
1 1 1   22   14   18 o   13.505   5.9800   0.6631   2.5077   0.6561   3.5135   0.6703   3.5803   14.861   6.7829   14.950   6.8325 -0.8897495E-01 9.627671 
1 1 1   22   14   19 o   10.758   5.1567  -1.8267   2.4975  -3.5937   3.5381  -0.0719   3.5259   11.602   5.6910   13.842   6.4818 -2.240210 8.625558 
1 1 1   22   15    0 o   16.104   9.1222   3.0993   3.5542   3.0993   3.5542   3.0993   3.5542   16.104   9.1222   16.104   9.1222 0.000000 0.000000 
1 1 1   22   15    1 f   17.670   6.6925   2.1812   2.5482  -0.8167   3.6287   5.0978   3.5792   15.775   7.0751   23.957   8.0562 -8.181659 10.72191 
1 1 1   22   15    2 f   16.919   6.6372   1.7524   2.5702   0.0549   3.7008   3.3339   3.5722   16.807   7.3595   20.931   7.9248 -4.123449 10.81504 
1 1 1   22   15    3 o   48.834   3.7133   19.404   2.8244   23.359   3.9395   15.221   4.0514   53.003   4.7877   41.793   6.3791 11.21085 7.975916 
1 1 1   22   15    4 o   24.780   6.8986   5.5401   2.7811   3.4130   3.9130   7.7114   3.9534   21.317   8.2382   28.587   8.3151 -7.270729 11.70506 
1 1 1   22   15    5 o   22.869   7.1452   4.7030   2.8453   2.9252   3.8206   6.9170   4.2635   20.431   8.0686   26.944   8.7829 -6.513885 11.92650 
1 1 1   22   15    6 o   23.553   7.9338   5.0735   3.4712   3.0484   4.6648   7.5863   5.1962   21.393   8.7502   27.680   9.6932 -6.286976 13.05843 
1 1 1   22   15    7 o   17.620   7.0801   1.9244   2.9923   3.5549   4.2685   0.3489   4.1958   21.440   8.5089   17.650   7.7787 3.789419 11.52866 
1 1 1   22   15    8 f   41.285   4.5358   14.385   2.8903   17.369   4.0637   11.329   4.1118   44.314   5.9973   34.314   7.8116 9.999207 9.848314 
1 1 1   22   15    9 o   27.338   6.5782   6.9592   2.7878   7.8725   3.9503   6.0530   3.9348   27.880   8.3650   24.657   8.4451 3.223637 11.88666 
1 1 1   22   15   10 o   14.245   6.2479   0.1612   2.6772   2.7239   3.7238  -2.5806   3.8517   19.232   7.8362   14.156   6.6743 5.075616 10.29330 
1 1 1   22   15   11 o   21.404   7.3863   4.4405   3.0117   4.8855   3.9370   3.8126   4.6760   22.216   8.3397   21.085   8.7069 1.131111 12.05653 
1 1 1   22   15   12 o   17.483   6.7579   2.5165   2.6334   0.0430   3.8020   4.7975   3.6510   15.944   7.1886   21.795   8.0603 -5.850963 10.80017 
1 1 1   22   15   13 o   25.592   6.4475   6.3731   2.5878   3.1670   3.6832   9.4985   3.6366   19.183   7.8019   30.248   7.6557 -11.06505 10.93069 
1 1 1   22   15   14 f   25.932   6.4847   6.6138   2.6318   4.6687   3.7101   8.5838   3.7339   21.188   8.0637   28.053   8.0572 -6.865492 11.39922 
1 1 1   22   15   15 o   22.153   6.6477   4.9698   2.4947   6.5550   3.5815   3.4761   3.4768   24.171   8.0577   19.132   7.6509 5.039177 11.11139 
1 1 1   22   15   16 o   15.764   6.3677   1.9828   2.4342  -1.8232   3.4135   5.9211   3.4723   13.141   6.2219   22.632   7.9238 -9.490761 10.07466 
1 1 1   22   15   17 o   18.748   7.0605   3.9191   2.8268  -0.7631   3.9603   8.7825   4.0363   14.320   6.7567   25.641   8.5542 -11.32104 10.90073 
1 1 1   22   15   18 o   13.565   6.0212   0.8826   2.5578  -1.2529   3.6532   2.9362   3.5825   13.183   6.2966   16.771   7.2941 -3.588625 9.635931 
1 1 1   22   16    0 o   19.693   11.026   5.1729   5.1158   5.1729   5.1158   5.1729   5.1158   19.693   11.026   19.693   11.026 0.000000 0.000000 
1 1 1   22   16    1 o   27.921   7.4338   7.2559   3.3148   9.6340   4.6412   4.7796   4.7360   31.238   8.9865   23.665   9.0849 7.572517 12.77855 
1 1 1   22   16    2 o   28.906   7.3450   7.7672   3.3381   8.3533   4.7543   7.1973   4.6880   28.952   9.2609   27.124   9.2196 1.827950 13.06772 
1 1 1   22   16    3 o   19.486   7.8666   2.4764   3.7128   3.2877   4.7565   1.2112   5.9396   21.666   8.8457   20.918   9.2356 0.7472820 12.78836 
1 1 1   22   16    4 o   25.240   7.3018   5.9723   3.0561   7.8039   4.2645   4.0384   4.3820   28.028   8.7460   22.170   8.6755 5.858349 12.31901 
1 1 1   22   16    5 o   24.409   7.0883   5.5797   2.8750   8.4217   4.2278   3.1349   3.9213   28.977   8.6444   20.427   8.1397 8.550047 11.87352 
1 1 1   22   16    6 o   14.983   6.6394  -0.1088   3.0973  -6.9407   4.3835   6.7027   4.3769   12.878   6.3205   25.786   8.9041 -12.90776 10.91932 
1 1 1   22   16    7 o   44.780   4.2640   16.854   2.9603   18.837   4.2820   15.039   4.0971   45.857   6.1015   40.428   6.6918 5.429440 9.055894 
1 1 1   22   16    8 o   21.058   7.1027   4.1615   2.7820   1.7006   3.9639   6.5505   3.9056   18.262   7.8044   25.264   8.4142 -7.001600 11.47637 
1 1 1   22   16    9 o   29.220   6.2629   7.9644   2.7856   8.5202   4.0456   7.4633   3.8411   28.396   8.4524   26.697   8.2959 1.698938 11.84337 
1 1 1   22   16   10 o   19.824   7.0301   3.6991   2.7397   2.0194   3.9287   5.2893   3.8225   18.237   7.7810   22.677   8.2705 -4.440035 11.35540 
1 1 1   22   16   11 o   14.152   6.3528  -0.1476   2.9327  -4.7699   3.8331   6.3785   4.5546   12.488   6.0816   23.888   8.9694 -11.40050 10.83682 
1 1 1   22   16   12 o   18.163   6.8665   2.9771   2.6794   6.7348   3.8244  -0.6458   3.7551   24.640   8.3276   15.066   6.9270 9.573144 10.83202 
1 1 1   22   16   13 o   20.016   7.0405   3.9977   2.7434   0.7019   3.8840   7.2792   3.8755   16.373   7.3332   25.338   8.3799 -8.965168 11.13547 
1 1 1   22   16   14 o   12.688   5.8166  -0.6888   2.6212   0.2699   3.7831  -1.5741   3.6352   15.668   7.1071   13.900   6.5320 1.767976 9.652842 
1 1 1   22   16   15 o   12.441   5.8009  -1.1230   2.7753  -2.8953   3.9473   0.6096   3.9028   13.326   6.4122   15.832   7.1960 -2.505806 9.638331 
1 1 1   22   16   16 o   9.8792   4.8779  -4.3291   2.7440  -3.6823   4.0059  -4.9009   3.7664   12.616   6.1603   11.624   5.7350 0.9919662 8.416628 
1 1 1   22   16   17 o   14.033   6.2407   1.0598   2.7610   4.6450   4.0024  -2.1954   3.8137   18.719   7.9145   12.816   6.2004 5.902358 10.05404 
1 1 1   22   17    0 o   8.3248   5.9755  -5.5061   3.7241  -5.5061   3.7241  -5.5061   3.7241   8.3248   5.9755   8.3248   5.9755 0.000000 0.000000 
1 1 1   22   17    1 o   27.091   6.4787   6.7705   2.7171   5.9942   3.8508   7.5400   3.8343   24.701   8.3563   27.505   8.2387 -2.803850 11.73474 
1 1 1   22   17    2 o   19.218   7.1641   3.0732   2.8949   1.3864   4.0880   4.7701   4.1001   18.316   7.8781   22.703   8.5132 -4.387548 11.59909 
1 1 1   22   17    3 o   19.978   7.3040   3.4798   2.9840   2.7664   4.0876   4.2937   4.3661   19.879   8.1676   22.084   8.6546 -2.205671 11.90005 
1 1 1   22   17    4 o   14.003   6.2484  -0.3115   2.7920  -0.3685   3.9578  -0.2551   3.9392   16.249   7.3295   16.322   7.3417 -0.7284737E-01 10.37409 
1 1 1   22   17    5 o   14.779   6.4636   0.2828   2.8470   1.5661   4.0531  -0.9671   4.0000   18.255   7.8482   15.722   7.1991 2.533033 10.64993 
1 1 1   22   17    6 f   31.435   6.1497   9.0931   2.9250   9.6403   4.4455   8.6752   3.8843   30.009   8.8421   29.034   8.1783 0.9750042 12.04435 
1 1 1   22   17    7 o   18.514   6.8254   3.0004   2.6145   2.9716   3.7010   3.0291   3.6939   19.337   7.8369   19.409   7.8427 -0.7252884E-01 11.08710 
1 1 1   22   17    8 o   30.235   6.1237   8.5390   2.8059   4.6120   4.0760   12.076   3.8683   21.654   8.3974   35.005   7.2792 -13.35115 11.11320 
1 1 1   22   17    9 o   18.720   6.8626   3.2167   2.6370   7.6202   3.6764  -1.4495   3.7845   26.672   8.0845   14.572   6.7878 12.10005 10.55621 
1 1 1   22   17   10 o   18.856   6.8428   3.3450   2.6121   4.2244   3.6793   2.4512   3.7091   20.638   7.9850   18.232   7.6587 2.406301 11.06423 
1 1 1   22   17   11 o   12.463   5.7905  -1.2600   2.7271  -2.8609   3.8416   0.3663   3.8719   13.508   6.4532   16.069   7.2490 -2.561857 9.705273 
1 1 1   22   17   12 o   11.214   5.3643  -2.5185   2.6726  -4.4712   3.7715  -0.5488   3.7879   12.355   6.0203   15.041   6.9305 -2.686327 9.180234 
1 1 1   22   17   13 o   14.711   6.3562   0.9685   2.6843   2.7943   3.7873  -0.8746   3.8052   18.235   7.7040   14.655   6.8196 3.580285 10.28877 
1 1 1   22   17   14 o   17.986   6.7788   3.2471   2.6069   0.6093   3.5340   6.3960   3.8612   15.269   6.9032   22.788   8.3120 -7.518898 10.80480 
1 1 1   22   17   15 o   19.284   6.7027   4.1352   2.4820   3.4571   3.5144   4.8099   3.5057   17.874   7.4782   19.757   7.7513 -1.882446 10.77064 
1 1 1   22   17   16 o   23.582   6.5484   6.2942   2.5094   7.6250   3.5477   4.9617   3.5499   23.599   8.0204   19.277   7.7234 4.322962 11.13449 
1 1 1   22   18    0 o   42.567   6.4600   16.189   4.0213   16.189   4.0213   16.189   4.0213   42.567   6.4600   42.567   6.4600 0.000000 0.000000 
1 1 1   22   18    1 o   27.533   6.4114   7.1288   2.7183   10.069   3.9305   4.4335   3.7635   31.525   7.9481   21.604   8.1444 9.920410 11.37991 
1 1 1   22   18    2 o   21.863   7.0132   4.6081   2.7252   8.2640   3.8529   0.9482   3.8550   28.187   8.2116   17.143   7.5088 11.04365 11.12707 
1 1 1   22   18    3 o   21.221   7.4664   4.3373   3.0855   5.2883   4.4593   3.4638   4.2738   22.887   8.8079   20.427   8.3677 2.459642 12.14893 
1 1 1   22   18    4 o   14.189   6.2093   0.2978   2.6309  -0.8477   3.7561   1.4011   3.6862   15.173   6.9584   17.301   7.4617 -2.127925 10.20278 
1 1 1   22   18    5 o   29.987   6.0989   8.3939   2.7722   7.1202   3.9325   9.6523   3.9087   25.697   8.4387   30.393   8.0632 -4.695940 11.67161 
1 1 1   22   18    6 o   16.003   6.7452   1.3846   2.8923  -2.1477   4.3331   4.2228   3.8842   15.033   7.0852   20.909   8.1721 -5.875815 10.81589 
1 1 1   22   18    7 o   14.047   6.2743  -0.0185   2.8224   0.5035   4.0142  -0.5288   3.9691   16.562   7.4338   15.583   7.1487 0.9795923 10.31336 
1 1 1   22   18    8 o   14.665   6.6634  -0.3094   3.3432   2.0131   5.0786  -2.0854   4.4412   18.959   8.4456   15.085   7.1289 3.873244 11.05214 
1 1 1   22   18    9 o   11.531   5.5506  -3.0961   2.9646  -3.6974   4.2069  -2.5030   4.1784   13.638   6.5770   14.315   6.8082 -0.6761160 9.466168 
1 1 1   22   18   10 o   26.785   7.0420   7.3755   2.9986   7.2921   4.2902   7.4552   4.1928   24.785   8.7965   25.144   8.7133 -0.3589554 12.38141 
1 1 1   22   18   11 o   14.893   6.4504   0.9605   2.7781  -0.9009   3.8932   2.8919   3.9656   14.821   6.8971   18.547   7.8616 -3.726158 10.45821 
1 1 1   22   18   12 o   18.016   6.8587   3.1555   2.6847   7.1902   3.9421  -0.3342   3.6662   24.355   8.4482   14.768   6.8096 9.586888 10.85096 
1 1 1   22   18   13 o   23.904   6.7525   6.1653   2.6441   4.5966   3.6338   7.9304   3.8547   19.865   7.8614   25.006   8.3599 -5.140905 11.47559 
1 1 1   22   18   14 o   12.071   5.6809  -1.0554   2.7675  -2.9046   3.8765   0.8667   3.9522   12.673   6.1591   15.302   7.0611 -2.629526 9.369788 
1 1 1   22   18   15 o   14.113   6.2310   1.2824   2.7037   3.5546   3.8540  -0.9195   3.7939   17.285   7.5406   13.456   6.4244 3.828386 9.906287 
1 1 1   22   19    0 o   27.026   10.043   8.8641   3.9575   8.8641   3.9575   8.8641   3.9575   27.026   10.043   27.026   10.043 0.000000 0.000000 
1 1 1   22   19    1 o   18.854   6.9479   3.2784   2.7087   0.6076   3.8337   5.9408   3.8277   16.449   7.3322   23.495   8.3118 -7.046177 11.08360 
1 1 1   22   19    2 o   24.970   6.8832   6.2167   2.7839   7.6975   3.9206   4.7109   3.9536   26.431   8.4048   21.512   8.2896 4.918200 11.80501 
1 1 1   22   19    3 o   21.059   7.3959   4.4583   3.0265   5.3861   4.6172   3.7592   4.0075   22.414   8.8643   20.158   8.1602 2.256437 12.04844 
1 1 1   22   19    4 o   33.879   6.0494   10.790   3.0982   11.020   4.2276   10.523   4.5536   31.773   8.3654   30.228   8.9599 1.545370 12.25803 
1 1 1   22   19    5 o   24.353   7.4932   6.2307   3.1428   2.8786   4.4030   9.7126   4.4874   19.214   8.2185   28.836   8.9676 -9.622053 12.16396 
1 1 1   22   19    6 o   15.622   6.8695   0.8180   3.2554  -1.0251   4.7936   2.3956   4.4350   16.203   7.5776   18.644   8.1120 -2.441454 11.10062 
1 1 1   22   19    7 f   12.167   5.7356  -1.8502   2.8425  -0.7361   4.0306  -2.9524   4.0093   15.286   7.0807   13.696   6.5564 1.590500 9.650016 
1 1 1   22   19    8 o   23.130   7.5876   5.7779   3.1797   2.4938   4.5077   9.0301   4.4858   18.615   8.1373   27.235   9.0160 -8.619944 12.14507 
1 1 1   22   19    9 o   14.594   6.3950   0.7104   2.7987   0.4898   3.9991   0.9222   3.9181   16.105   7.3061   16.402   7.3544 -0.2966290 10.36656 
1 1 1   22   19   10 o   31.488   5.9219   9.5717   2.8188   6.7931   4.0103   12.285   3.9630   23.669   8.4932   33.662   7.6731 -9.993088 11.44598 
1 1 1   22   19   11 o   22.219   7.1386   5.4636   2.8227   0.4328   3.9631   10.643   4.0214   15.585   7.1472   29.850   8.2900 -14.26534 10.94560 
1 1 1   22   19   12 o   10.149   4.9737  -3.5862   2.6825  -5.5568   3.9437  -1.8893   3.6596   11.608   5.7523   13.091   6.2660 -1.482997 8.506002 
1 1 1   22   19   13 o   17.868   6.8633   3.6809   2.7040   9.5307   3.7847  -2.4186   3.8647   26.632   8.2279   12.787   6.1993 13.84529 10.30196 
1 1 1   22   19   14 o   10.708   5.1911  -2.3460   2.7085  -3.8486   3.8814  -0.9199   3.7813   11.849   5.8410   13.324   6.3754 -1.475148 8.646571 
1 1 1   22   20    0 o   18.150   10.433   5.1458   4.7463   5.1458   4.7463   5.1458   4.7463   18.150   10.433   18.150   10.433 0.000000 0.000000 
1 1 1   22   20    1 o   16.474   7.0768   1.5497   3.2907  -1.2905   4.4891   4.8483   4.8379   15.543   7.2897   21.359   8.8416 -5.815992 11.45923 
1 1 1   22   20    2 o   12.972   6.1052  -1.7905   3.1971   7.9537   4.6106 -10.8157   4.4372   25.501   9.1118   11.031   5.5578 14.47022 10.67304 
1 1 1   22   20    3 f   17.114   6.9586   2.3408   2.9291   1.2723   4.1587   3.3927   4.1262   17.152   7.6415   19.378   8.1049 -2.226515 11.13917 
1 1 1   22   20    4 o   13.891   6.2475  -0.0328   2.8516  -0.7302   4.0657   0.6423   4.0006   15.280   7.0895   16.347   7.3718 -1.066515 10.22762 
1 1 1   22   20    5 o   18.787   7.1144   3.4255   2.8792   11.747   4.1806  -4.0825   3.9711   32.548   8.1922   12.892   6.2582 19.65595 10.30905 
1 1 1   22   20    6 o   19.014   7.1234   3.5922   2.8694   6.7957   4.0941   0.4996   4.0227   23.878   8.5798   16.137   7.3232 7.740854 11.28020 
1 1 1   22   20    7 o   18.284   7.0994   3.2215   2.9161   3.4625   4.1496   2.9864   4.0988   19.139   8.0739   18.573   7.9366 0.5663185 11.32151 
1 1 1   22   20    8 o   19.167   7.3338   3.8206   3.0794  -0.2289   3.9550   10.055   4.9074   15.211   7.0347   27.292   9.4281 -12.08066 11.76336 
1 1 1   22   20    9 o   22.205   7.0344   5.4292   2.7485   3.0742   3.9559   7.6269   3.8215   18.108   7.7688   24.736   8.3244 -6.627520 11.38640 
1 1 1   22   20   10 o   14.653   6.3378   1.3511   2.6745   3.0192   3.8989  -0.1315   3.6757   17.573   7.6263   14.418   6.7071 3.154843 10.15605 
1 1 1   22   20   11 o   9.4486   4.6717  -4.0682   2.5479  -3.7564   3.5630  -4.3946   3.6451   11.638   5.7092   11.458   5.6507 0.1802979 8.032768 
1 1 1   22   20   12 o   11.899   5.5455  -0.4890   2.5313   2.3440   3.6109  -3.2264   3.5494   15.891   7.0974   11.710   5.7349 4.180620 9.124758 
1 1 1   22   20   13 o   11.205   5.3206  -1.1309   2.5311   1.1577   3.5601  -3.4700   3.5992   14.512   6.6983   11.527   5.6712 2.985385 8.776653 
1 1 1   22   21    0 o   11.817   7.8364   0.3336   3.8379   0.3336   3.8379   0.3336   3.8379   11.817   7.8364   11.817   7.8364 0.000000 0.000000 
1 1 1   22   21    1 o   16.347   6.6720   2.1131   2.7049   1.5528   3.7765   2.7033   3.8761   16.767   7.3850   18.116   7.7290 -1.349237 10.68996 
1 1 1   22   21    2 o   21.140   7.0310   4.7241   2.7273   0.6989   3.7368   9.3119   3.9894   15.848   7.1378   28.143   8.3975 -12.29513 11.02115 
1 1 1   22   21    3 o   18.163   6.8809   3.2252   2.6941   5.1828   3.8362   1.3202   3.7843   21.284   8.1750   16.469   7.3161 4.815765 10.97071 
1 1 1   22   21    4 o   27.473   6.7183   7.7921   2.8720   7.2271   4.0501   8.3636   4.0733   24.207   8.5510   26.079   8.5896 -1.872272 12.12030 
1 1 1   22   21    5 o   16.436   6.7905   2.2052   2.8462   5.9905   4.0119  -1.6306   4.0386   22.142   8.3950   14.235   6.7481 7.907227 10.77091 
1 1 1   22   21    6 o   15.764   6.7029   1.7830   2.8983   1.4577   4.0647   2.1195   4.1338   16.556   7.4516   17.234   7.6519 -0.6777000 10.68070 
1 1 1   22   21    7 o   15.619   6.6862   1.8088   2.9185   1.4205   4.1052   2.2056   4.1500   16.295   7.3961   17.038   7.6095 -0.7437534 10.61160 
1 1 1   22   21    8 f   15.524   6.6958   1.8959   2.9689   2.6525   4.2976   1.2052   4.1062   17.159   7.6974   15.791   7.2542 1.367677 10.57700 
1 1 1   22   21    9 o   14.722   6.3487   1.6760   2.6679   1.0525   3.8239   2.2673   3.7240   15.114   6.9638   16.148   7.2102 -1.034092 10.02403 
1 1 1   22   21   10 o   11.565   5.4584  -0.9539   2.5884  -5.8229   3.6667   3.8826   3.6544   10.693   5.3391   17.539   7.4944 -6.846168 9.201756 
1 1 1   22   21   11 o   9.0250   4.5009  -4.6665   2.5727  -0.7456   3.6677  -8.4640   3.6096   13.168   6.2949   9.5816   4.8494 3.586331 7.946249 
1 1 1   22   22    0 o   15.052   9.0947   3.4601   3.9365   3.4601   3.9365   3.4601   3.9365   15.052   9.0947   15.052   9.0947 0.000000 0.000000 
1 1 1   22   22    1 o   17.256   6.8102   2.9755   2.7200   0.0619   3.8426   5.9015   3.8508   14.916   6.9108   21.529   8.2100 -6.613312 10.73144 
1 1 1   22   22    2 o   11.631   5.4976  -1.4738   2.6440  -2.8139   3.7087  -0.0887   3.7704   12.680   6.1297   14.653   6.8084 -1.972872 9.161221 
1 1 1   22   22    3 o   10.634   5.1498  -2.7288   2.6469  -2.5169   3.7951  -2.9295   3.6936   12.931   6.2387   12.527   6.0702 0.4048824 8.704500 
1 1 1   22   22    4 o   16.592   6.6913   2.7445   2.6831   1.6687   3.7749   3.8429   3.8143   15.966   7.1839   18.312   7.7337 -2.346212 10.55550 
1 1 1   22   22    5 o   11.764   5.5580  -1.2130   2.6960  -1.3024   3.8388  -1.1260   3.7870   13.530   6.4602   13.578   6.4647 -0.4862022E-01 9.139338 
1 1 1   22   22    6 o   20.346   6.9675   4.9914   2.6783   2.3430   3.8004   7.6046   3.7750   16.217   7.2593   23.127   8.2470 -6.910233 10.98680 
1 1 1   22   22    7 o   10.720   5.1657  -2.0297   2.5838  -3.5613   3.6727  -0.5290   3.6355   11.740   5.7666   13.499   6.4000 -1.758832 8.614708 
1 1 1   22   22    8 o   18.659   6.9390   4.4079   2.7128   5.4872   3.8481   3.3415   3.8250   19.161   7.9041   16.717   7.3945 2.444769 10.82378 
1 1 1   22   22    9 o   10.076   4.9593  -3.3651   2.7617  -0.1087   3.8035  -6.9968   4.0166   13.657   6.4957   10.656   5.3580 3.001897 8.420376 
1 1 1   22   23    0 o   13.871   8.6422   3.0997   3.8143   3.0997   3.8143   3.0997   3.8143   13.871   8.6422   13.871   8.6422 0.000000 0.000000 
1 1 1   22   23    1 o   11.790   5.5583  -0.8782   2.6708   3.1790   3.8204  -4.7561   3.7351   16.786   7.4091   11.257   5.5820 5.528639 9.276515 
1 1 1   22   23    2 o   16.365   6.6677   2.9804   2.6959   3.8872   3.8484   2.1066   3.7778   17.477   7.5808   15.678   7.1077 1.799674 10.39173 
1 1 1   22   23    3 o   22.067   6.9942   6.0582   2.7169   4.4852   3.8123   7.6818   3.8731   18.048   7.6813   22.348   8.2950 -4.300146 11.30523 
1 1 1   22   23    4 o   14.806   6.3920   2.0112   2.7105   2.8407   3.8583   1.2030   3.8086   16.183   7.2739   14.738   6.8461 1.445688 9.988871 
1 1 1   22   23    5 o   16.974   6.7625   3.5389   2.7062   1.9746   3.7494   5.2400   3.9100   15.234   6.9736   18.573   7.8362 -3.338272 10.48981 
1 1 1   22   23    6 o   11.406   5.4759  -1.4629   2.8411  -2.9764   3.9966   0.0833   4.0395   12.190   5.9933   13.927   6.6435 -1.736785 8.947395 
1 1 1   23    0    1 o   75.585   3.8423   45.513   4.5305   45.513   4.5305   45.513   4.5305   75.585   3.8423   75.585   3.8423 0.000000 0.000000 
1 1 1   23    0    2 o  100.832   3.2957   80.483   5.2023   80.483   5.2023   80.483   5.2023  100.832   3.2957  100.832   3.2957 0.000000 0.000000 
1 1 1   23    0    3 o   17.210   9.5134   3.4283   3.7510   3.4283   3.7510   3.4283   3.7510   17.210   9.5134   17.210   9.5134 0.000000 0.000000 
1 1 1   23    0    4 o   44.592   6.1266   16.752   4.0576   16.752   4.0576   16.752   4.0576   44.592   6.1266   44.592   6.1266 0.000000 0.000000 
1 1 1   23    0    5 o   58.640   4.3865   27.720   3.9835   27.720   3.9835   27.720   3.9835   58.640   4.3865   58.640   4.3865 0.000000 0.000000 
1 1 1   23    0    6 o   68.948   3.6332   37.900   3.9061   37.900   3.9061   37.900   3.9061   68.948   3.6332   68.948   3.6332 0.000000 0.000000 
1 1 1   23    0    7 o   15.149   8.6157   2.5281   3.1880   2.5281   3.1880   2.5281   3.1880   15.149   8.6157   15.149   8.6157 0.000000 0.000000 
1 1 1   23    0    8 o   70.858   3.6531   40.049   4.0374   40.049   4.0374   40.049   4.0374   70.858   3.6531   70.858   3.6531 0.000000 0.000000 
1 1 1   23    0    9 o   12.256   7.7991   0.5346   3.2918   0.5346   3.2918   0.5346   3.2918   12.256   7.7991   12.256   7.7991 0.000000 0.000000 
1 1 1   23    0   10 o   9.8536   6.9243  -4.2087   4.1319  -4.2087   4.1319  -4.2087   4.1319   9.8536   6.9243   9.8536   6.9243 0.000000 0.000000 
1 1 1   23    0   11 o   29.820   8.3767   8.7303   3.3928   8.7303   3.3928   8.7303   3.3928   29.820   8.3767   29.820   8.3767 0.000000 0.000000 
1 1 1   23    0   12 o   50.838   4.6012   21.140   3.5982   21.140   3.5982   21.140   3.5982   50.838   4.6012   50.838   4.6012 0.000000 0.000000 
1 1 1   23    0   13 o   32.984   7.6373   10.160   3.4393   10.160   3.4393   10.160   3.4393   32.984   7.6373   32.984   7.6373 0.000000 0.000000 
1 1 1   23    0   14 o   60.744   3.9609   29.825   3.7385   29.825   3.7385   29.825   3.7385   60.744   3.9609   60.744   3.9609 0.000000 0.000000 
1 1 1   23    0   15 o   24.992   9.2971   7.0831   3.3895   7.0831   3.3895   7.0831   3.3895   24.992   9.2971   24.992   9.2971 0.000000 0.000000 
1 1 1   23    0   16 o   16.724   8.9979   3.6610   3.2635   3.6610   3.2635   3.6610   3.2635   16.724   8.9979   16.724   8.9979 0.000000 0.000000 
1 1 1   23    0   17 o   24.962   9.1993   7.1955   3.3345   7.1955   3.3345   7.1955   3.3345   24.962   9.1993   24.962   9.1993 0.000000 0.000000 
1 1 1   23    0   18 o   9.1599   6.3389  -1.9411   3.1154  -1.9411   3.1154  -1.9411   3.1154   9.1599   6.3389   9.1599   6.3389 0.000000 0.000000 
1 1 1   23    0   19 o   43.833   5.1992   16.555   3.4440   16.555   3.4440   16.555   3.4440   43.833   5.1992   43.833   5.1992 0.000000 0.000000 
1 1 1   23    0   20 o   18.785   9.1837   4.8871   3.1998   4.8871   3.1998   4.8871   3.1998   18.785   9.1837   18.785   9.1837 0.000000 0.000000 
1 1 1   23    0   21 o   33.894   7.0584   11.177   3.3104   11.177   3.3104   11.177   3.3104   33.894   7.0584   33.894   7.0584 0.000000 0.000000 
1 1 1   23    0   22 o   12.810   7.9168   2.1137   3.1370   2.1137   3.1370   2.1137   3.1370   12.810   7.9168   12.810   7.9168 0.000000 0.000000 
1 1 1   23    1    0 o  120.540   3.8787  115.246   7.3198  115.246   7.3198  115.246   7.3198  120.540   3.8787  120.540   3.8787 0.000000 0.000000 
1 1 1   23    1    1 f  128.256   2.1211  129.676   4.2692  126.934   6.0020  132.484   6.0736  126.590   3.0213  129.340   2.9923 -2.749451 4.252309 
1 1 1   23    1    2 f   95.907   2.3916   72.608   3.5996   73.531   5.1452   71.722   5.0376   96.158   3.4150   94.978   3.3853 1.180641 4.808588 
1 1 1   23    1    3 o   60.364   3.1934   28.982   3.0144   28.250   4.2397   29.731   4.2866   59.167   4.6023   60.731   4.5304 -1.564686 6.458010 
1 1 1   23    1    4 o   43.313   4.2428   15.147   2.8469   15.281   4.0002   15.010   4.0526   42.875   6.1186   42.428   6.2757 0.4476509 8.764796 
1 1 1   23    1    5 o   81.311   2.3064   52.235   2.9401   53.645   4.1953   50.874   4.1215   82.123   3.2618   79.960   3.2916 2.162453 4.633982 
1 1 1   23    1    6 o  124.212   1.8585  121.560   3.6226  118.806   5.1028  124.359   5.1438  122.535   2.6536  125.381   2.6142 -2.846275 3.725040 
1 1 1   23    1    7 o   45.910   3.5283   16.890   2.5225   21.605   3.6590   12.619   3.4822   51.619   4.5640   38.888   5.8902 12.73056 7.451539 
1 1 1   23    1    8 o   79.167   2.4351   49.605   3.0217   49.267   4.1498   49.987   4.4087   78.586   3.3728   79.084   3.5615 -0.4983215 4.905056 
1 1 1   23    1    9 o   59.494   2.8893   28.163   2.6895   27.264   3.8239   29.043   3.7835   58.080   4.2243   60.028   4.0400 -1.947327 5.845150 
1 1 1   23    1   10 o   21.304   7.2844   3.6580   2.9273  -0.2384   3.7835   9.4685   4.6203   17.019   7.4469   32.317   8.8514 -15.29823 11.56735 
1 1 1   23    1   11 o   38.795   4.1204   12.256   2.4702   13.575   3.5191   10.974   3.4684   40.205   5.7403   35.789   6.4109 4.415356 8.605268 
1 1 1   23    1   12 o   69.365   2.5561   38.243   2.7777   40.218   3.9286   36.269   3.9280   70.718   3.5513   67.055   3.7476 3.663010 5.163002 
1 1 1   23    1   13 o   54.180   3.0708   23.534   2.6003   23.297   3.6791   23.771   3.6756   53.296   4.4391   53.866   4.3861 -0.5700150 6.240441 
1 1 1   23    1   14 o   40.573   3.8992   13.473   2.4521   13.778   3.4806   13.173   3.4552   40.144   5.6838   39.178   5.7944 0.9652977 8.116676 
1 1 1   23    1   15 o   45.096   3.5391   16.598   2.4845   17.027   3.5447   16.185   3.4834   44.752   5.1406   43.586   5.1949 1.166035 7.308388 
1 1 1   23    1   16 o   53.528   3.0834   23.240   2.5792   27.023   3.6721   19.556   3.6234   57.012   4.1323   47.923   4.8862 9.089523 6.399336 
1 1 1   23    1   17 o   40.200   3.9585   13.524   2.4649   13.518   3.4705   13.531   3.5015   38.813   5.8819   38.784   5.9420 0.2924728E-01 8.360834 
1 1 1   23    1   18 o   20.620   6.4805   4.0163   2.3371   1.0839   3.2859   7.0184   3.3247   16.387   7.0560   26.328   7.6157 -9.941011 10.38194 
1 1 1   23    1   19 o   11.996   5.4800  -0.8190   2.2999  -2.4903   3.2420   0.8742   3.2632   12.742   6.0419   15.958   6.9506 -3.216372 9.209500 
1 1 1   23    1   20 o   30.356   5.0464   8.2833   2.3196   11.293   3.3234   5.4239   3.2390   34.298   6.4102   22.699   7.6639 11.59823 9.991255 
1 1 1   23    1   21 o   18.035   6.3570   3.2078   2.2374   4.1450   3.1282   2.2263   3.2014   19.740   7.4287   16.871   7.1028 2.869184 10.27796 
1 1 1   23    1   22 o   14.095   5.9073   1.3932   2.1987   5.3209   3.1123  -2.5201   3.1065   21.018   7.4888   11.728   5.6546 9.290267 9.383898 
1 1 1   23    2    0 o  160.374   3.4726  203.369   8.7304  203.369   8.7304  203.369   8.7304  160.374   3.4726  160.374   3.4726 0.000000 0.000000 
1 1 1   23    2    1 f  176.089   2.1746  244.512   6.0092  249.076   8.6131  240.184   8.3880  177.273   3.0961  174.095   3.0702 3.178360 4.360224 
1 1 1   23    2    2 o   67.657   3.0594   36.347   3.2399   36.896   4.5984   35.807   4.5657   67.762   4.3473   66.738   4.3837 1.023895 6.173748 
1 1 1   23    2    3 o   31.906   5.7077   8.4945   2.7529   8.9293   3.8507   8.0399   3.9372   32.104   7.7351   30.394   8.1060 1.710638 11.20446 
1 1 1   23    2    4 o   24.405   7.0026   5.0613   2.8217   7.7562   4.0763   2.5821   3.9097   29.814   8.3710   20.992   8.2005 8.821867 11.71843 
1 1 1   23    2    5 o   85.749   2.4657   58.150   3.3145   51.370   4.4333   66.743   4.9910   80.259   3.5285   91.521   3.4814 -11.26239 4.956818 
1 1 1   23    2    6 o   75.422   2.4032   44.992   2.8407   41.361   3.9943   48.708   4.0410   71.973   3.5473   78.207   3.3000 -6.234100 4.844942 
1 1 1   23    2    7 o   17.464   6.4915   2.0426   2.3736  -0.0953   3.3420   4.2188   3.3718   16.302   7.0678   22.893   7.8182 -6.591164 10.53939 
1 1 1   23    2    8 o   70.304   2.5386   39.166   2.7962   38.176   3.9365   40.174   3.9726   69.052   3.6455   70.864   3.5838 -1.811981 5.112141 
1 1 1   23    2    9 o   47.458   3.5024   18.073   2.5901   18.492   3.6594   17.653   3.6665   47.482   4.9854   46.322   5.1297 1.159523 7.153131 
1 1 1   23    2   10 o   61.144   3.0737   29.826   2.9399   26.781   3.8579   34.042   4.5403   57.474   4.3087   64.744   4.4966 -7.270565 6.227731 
1 1 1   23    2   11 o   75.455   2.4392   45.153   2.8845   47.111   4.0668   43.170   4.0920   76.701   3.3870   73.335   3.5663 3.365524 4.918405 
1 1 1   23    2   12 o   25.623   6.0726   5.6944   2.4042   7.1219   3.4160   4.2932   3.3844   28.187   7.5652   22.675   7.8298 5.512331 10.88750 
1 1 1   23    2   13 o   94.448   2.1329   70.636   3.1614   67.364   4.4558   73.953   4.4860   91.722   3.1001   96.184   2.9756 -4.461342 4.297051 
1 1 1   23    2   14 f   33.214   4.7166   9.2545   2.3894   11.753   3.4166   6.8625   3.3429   36.750   6.1406   27.318   7.5475 9.431612 9.729995 
1 1 1   23    2   15 o   58.476   2.9321   27.543   2.6822   28.677   3.8229   26.443   3.7641   58.912   4.1618   56.480   4.2786 2.432011 5.968850 
1 1 1   23    2   16 o   23.767   6.2080   5.1674   2.3403   4.2234   3.2901   6.1343   3.3297   21.564   7.6980   25.184   7.7061 -3.619867 10.89233 
1 1 1   23    2   17 o   35.076   4.5303   10.528   2.4355   10.211   3.4591   10.838   3.4298   32.820   6.9338   34.072   6.6534 -1.252113 9.609651 
1 1 1   23    2   18 o   14.403   6.0664   0.8733   2.3368  -3.7307   3.3098   5.4491   3.2996   12.106   5.8369   23.229   7.7339 -11.12282 9.689359 
1 1 1   23    2   19 o   26.170   5.8966   6.4000   2.3634   9.9660   3.3302   2.7811   3.3548   32.022   6.8350   18.548   7.4813 13.47448 10.13349 
1 1 1   23    2   20 o   22.988   6.1985   5.1310   2.2868   7.6930   3.2541   2.6309   3.2145   27.181   7.4216   17.954   7.2936 9.226528 10.40567 
1 1 1   23    2   21 o   12.426   5.5506   0.0146   2.2091  -2.9210   3.0557   3.2287   3.1974   11.632   5.6082   18.221   7.3197 -6.589103 9.221169 
1 1 1   23    2   22 o   9.4848   4.6102  -2.6711   2.1737   2.0700   3.0872  -7.3322   3.0611   15.933   6.8495   9.2107   4.6375 6.721886 8.271803 
1 1 1   23    3    0 o  184.051   3.3733  267.689   9.7359  267.689   9.7359  267.689   9.7359  184.051   3.3733  184.051   3.3733 0.000000 0.000000 
1 1 1   23    3    1 o  144.316   2.5100  164.532   5.6845  175.432   8.1949  154.423   7.8918  148.538   3.5156  139.263   3.6141 9.274170 5.041972 
1 1 1   23    3    2 o  175.089   2.1672  241.780   5.9548  243.177   8.5001  240.434   8.3447  175.130   3.0928  174.163   3.0532 0.9675140 4.345965 
1 1 1   23    3    3 o   20.596   7.0113   3.3164   2.7114   2.5539   3.8434   4.0718   3.8255   20.853   8.1351   23.180   8.2978 -2.327168 11.62044 
1 1 1   23    3    4 o   62.035   2.7333   30.513   2.6544   29.314   3.7164   31.760   3.7926   60.466   3.9380   62.975   3.8561 -2.509129 5.511521 
1 1 1   23    3    5 o  105.534   2.1395   87.866   3.5434   89.058   4.7053   86.304   5.3856  105.996   2.8313  104.155   3.2991 1.840927 4.347424 
1 1 1   23    3    6 o   31.326   5.0298   8.1194   2.3890   10.245   3.4010   6.0491   3.3565   34.762   6.4725   26.462   7.6513 8.300312 10.02176 
1 1 1   23    3    7 o   11.142   5.2232  -2.1845   2.3005  -6.5276   3.1963   2.4834   3.3136   10.775   5.3098   19.810   7.6005 -9.034445 9.271560 
1 1 1   23    3    8 o   47.994   3.4421   18.455   2.5753   17.436   3.6523   19.463   3.6318   46.064   5.1398   48.830   4.8016 -2.765762 7.033726 
1 1 1   23    3    9 o   45.789   3.6442   16.868   2.5970   17.130   3.6499   16.598   3.6960   45.582   5.1952   44.789   5.3650 0.7925072 7.468099 
1 1 1   23    3   10 o   41.360   4.1064   13.895   2.6302   16.884   3.5810   10.394   3.8757   45.223   5.1368   34.421   7.3955 10.80147 9.004437 
1 1 1   23    3   11 o   40.792   4.0231   13.527   2.5419   14.259   3.5962   12.797   3.5934   41.195   5.7166   38.818   6.0999 2.377502 8.359916 
1 1 1   23    3   12 o  124.465   1.8928  122.360   3.6971  129.703   5.2957  115.379   5.1638  127.746   2.6416  120.433   2.7323 7.313560 3.800437 
1 1 1   23    3   13 o   21.497   6.5784   4.0121   2.4264   4.8217   3.4342   3.2051   3.4287   23.506   7.8912   20.680   7.7785 2.825954 11.08048 
1 1 1   23    3   14 o   88.931   2.2056   62.788   3.0782   61.092   4.3231   64.532   4.3841   87.132   3.1669   89.585   3.1232 -2.452835 4.447861 
1 1 1   23    3   15 o   48.789   3.3476   19.363   2.5475   23.929   3.6466   15.010   3.5604   53.613   4.3722   41.630   5.5912 11.98351 7.097668 
1 1 1   23    3   16 o   71.301   2.5105   40.783   2.8046   38.410   3.9171   43.279   4.0175   68.353   3.6651   72.683   3.5328 -4.329330 5.090595 
1 1 1   23    3   17 o   22.439   6.3702   4.7246   2.3473   0.8455   3.2860   8.7661   3.3541   16.234   7.0233   30.077   7.2016 -13.84352 10.05935 
1 1 1   23    3   18 f   37.722   4.2372   12.134   2.4650   12.532   3.5287   11.755   3.4448   36.632   6.3694   35.396   6.4388 1.236271 9.056900 
1 1 1   23    3   19 o   27.865   5.6080   7.1362   2.3673   9.1363   3.3115   5.0455   3.3856   30.358   7.0812   22.190   7.8199 8.168751 10.54963 
1 1 1   23    3   20 o   15.042   6.1130   1.5125   2.2590   4.3083   3.1787  -1.3405   3.2110   20.575   7.5359   13.422   6.2521 7.152758 9.791723 
1 1 1   23    3   21 o   12.753   5.6342   0.2901   2.2138  -0.1233   3.1400   0.6988   3.1216   13.998   6.3979   14.811   6.6080 -0.8123093 9.197781 
1 1 1   23    3   22 o   13.933   5.9015   1.3041   2.2318   4.6294   3.1842  -1.9070   3.1290   19.600   7.4677   12.136   5.8050 7.464384 9.458582 
1 1 1   23    4    0 o  123.348   3.8423  120.704   7.4212  120.704   7.4212  120.704   7.4212  123.348   3.8423  123.348   3.8423 0.000000 0.000000 
1 1 1   23    4    2 o   27.263   7.3785   6.4002   3.2331   0.1640   4.7989   11.584   4.3751   19.655   8.4955   36.564   7.8588 -16.90891 11.57294 
1 1 1   23    4    3 o  112.635   2.0804  100.043   3.6773  100.379   5.2410   99.717   5.1611  112.497   2.9713  112.140   2.9353 0.3575363 4.176633 
1 1 1   23    4    4 o   44.697   3.8957   16.071   2.7053   18.699   3.8511   13.511   3.8011   47.797   5.2190   40.177   6.2304 7.619972 8.127481 
1 1 1   23    4    5 f   81.509   2.6355   52.626   3.3667   49.615   4.7085   55.776   4.8159   78.730   3.8224   83.544   3.6823 -4.814079 5.307548 
1 1 1   23    4    6 o   52.568   3.1012   22.022   2.5470   21.076   3.5682   23.004   3.6369   50.990   4.5054   53.330   4.3842 -2.340153 6.286534 
1 1 1   23    4    7 o  133.833   1.8300  141.163   3.8434  142.023   5.4217  140.294   5.4492  133.949   2.5792  133.118   2.6085 0.8311310 3.668323 
1 1 1   23    4    8 o   30.900   5.1436   7.9533   2.4066   6.2820   3.3679   9.6970   3.4401   26.809   7.6370   33.580   6.7622 -6.771086 10.20057 
1 1 1   23    4    9 o   50.374   3.3357   20.324   2.6221   16.460   3.6722   24.344   3.7454   44.583   5.3558   54.759   4.3953 -10.17537 6.928466 
1 1 1   23    4   10 o   22.536   6.4603   4.3661   2.4026   3.9379   3.3683   4.8096   3.4282   22.171   7.8010   23.811   7.8817 -1.640814 11.08951 
1 1 1   23    4   11 o  106.651   2.0624   89.908   3.4518   88.094   4.8388   91.787   4.9255  105.137   2.9356  107.325   2.9272 -2.187576 4.145627 
1 1 1   23    4   12 o   42.041   3.9517   14.394   2.5766   19.889   3.6257   8.7884   3.6622   49.094   4.7660   31.254   7.5518 17.83969 8.929986 
1 1 1   23    4   13 o   32.746   4.9915   9.0294   2.4841   12.391   3.5080   5.6488   3.5180   37.885   6.1081   25.013   7.9625 12.87143 10.03547 
1 1 1   23    4   14 o   61.298   2.8733   30.166   2.7563   27.998   3.8383   32.475   3.9606   58.288   4.2248   62.926   4.0319 -4.637924 5.840000 
1 1 1   23    4   15 o   84.621   2.2926   57.113   3.0416   58.798   4.3065   55.436   4.2966   85.187   3.2272   82.637   3.3199 2.550018 4.629979 
1 1 1   23    4   16 o   33.294   4.8305   9.5469   2.4503   12.970   3.4883   6.2133   3.4426   38.008   6.0509   25.124   7.8610 12.88461 9.920071 
1 1 1   23    4   17 o   11.491   5.3198  -1.3023   2.2704  -1.1319   3.2425  -1.4662   3.1802   14.029   6.4453   13.593   6.2939 0.4364023 9.008615 
1 1 1   23    4   18 o   25.363   6.3132   6.1187   2.5029   6.0142   3.3644   6.2482   3.7453   24.166   7.7963   24.341   8.2410 -0.1741753 11.34439 
1 1 1   23    4   19 o   13.614   5.9131   0.4067   2.3478   1.0082   3.3528  -0.1720   3.2887   16.179   7.0461   14.801   6.6783 1.378319 9.708144 
1 1 1   23    4   20 o   24.551   6.0565   5.8381   2.3188   3.9591   3.2460   7.7961   3.3135   19.876   7.5477   27.073   7.5274 -7.196972 10.65969 
1 1 1   23    4   21 o   16.958   6.2965   2.8015   2.2319   2.2491   3.1372   3.3677   3.1760   16.582   7.0089   18.179   7.2978 -1.596819 10.11843 
1 1 1   23    4   22 o   10.207   4.9309  -2.3849   2.3905  -0.7498   3.4017  -3.9804   3.3602   13.395   6.3022   11.253   5.5253 2.141659 8.381313 
1 1 1   23    5    0 o   79.498   4.0383   50.434   5.0082   50.434   5.0082   50.434   5.0082   79.498   4.0383   79.498   4.0383 0.000000 0.000000 
1 1 1   23    5    1 o   40.278   4.6375   13.204   2.8778   13.534   3.9997   12.851   4.1437   40.088   6.5864   38.856   7.0553 1.232235 9.651831 
1 1 1   23    5    2 o  153.670   2.0280  186.187   4.8907  184.367   6.8903  188.035   6.9430  152.545   2.8783  154.058   2.8718 -1.513474 4.065927 
1 1 1   23    5    3 o   93.514   2.4528   69.157   3.5963   72.132   5.0994   66.213   5.0727   95.157   3.4204   91.109   3.5547 4.048264 4.933092 
1 1 1   23    5    4 f  112.659   2.2610  100.215   3.9974  106.145   5.6814   94.401   5.6252  115.572   3.1354  108.914   3.2950 6.658157 4.548381 
1 1 1   23    5    5 o   77.965   2.7068   48.194   3.3067   48.588   4.6415   47.788   4.7121   77.890   3.8088   77.206   3.9018 0.6838989 5.452604 
1 1 1   23    5    6 f   68.413   2.7555   37.148   2.9523   35.551   4.1635   38.764   4.1870   66.501   4.0081   69.512   3.8533 -3.011696 5.559959 
1 1 1   23    5    7 o   59.156   3.0764   27.889   2.8461   23.858   3.9772   32.119   4.0745   54.126   4.7299   63.113   4.1366 -8.987267 6.283578 
1 1 1   23    5    8 o   28.088   6.1295   6.7531   2.6258   3.2740   3.6808   10.358   3.7468   21.478   8.0636   34.534   7.1494 -13.05527 10.77660 
1 1 1   23    5    9 o   21.757   6.5703   4.0248   2.4314   7.5860   3.4288   0.4232   3.4482   29.327   7.4397   17.040   7.2804 12.28713 10.40936 
1 1 1   23    5   10 o   49.862   3.4065   19.968   2.6495   18.274   3.6800   21.791   3.8177   47.039   5.0650   51.544   4.7740 -4.505394 6.960272 
1 1 1   23    5   11 o   65.576   2.6943   34.242   2.7668   36.094   3.8548   32.274   3.9735   66.909   3.6855   63.090   4.0345 3.819050 5.464442 
1 1 1   23    5   12 o   39.718   4.1118   12.916   2.5259   13.005   3.5540   12.826   3.5905   38.981   6.0021   38.644   6.1246 0.3372078 8.575312 
1 1 1   23    5   13 o   45.053   3.6736   16.512   2.5748   17.768   3.6231   15.229   3.6598   46.017   5.1028   42.256   5.6614 3.760975 7.621661 
1 1 1   23    5   14 o   18.820   6.6660   2.9187   2.4626   1.5931   3.4457   4.3028   3.5208   17.956   7.4499   22.171   7.9577 -4.215290 10.90070 
1 1 1   23    5   15 o   36.429   4.4623   11.195   2.4978   11.556   3.5477   10.840   3.5174   35.653   6.5832   34.379   6.7606 1.274128 9.436356 
1 1 1   23    5   16 o   39.878   4.0098   13.313   2.4754   10.213   3.4676   16.535   3.5347   32.910   6.9333   43.534   5.2819 -10.62352 8.716063 
1 1 1   23    5   17 o   16.619   6.3572   2.1524   2.3135   0.6596   3.2653   3.6570   3.2783   15.881   6.9344   20.100   7.5960 -4.219296 10.28516 
1 1 1   23    5   18 o   30.604   5.7488   8.5979   2.6596   8.0197   3.6036   9.2896   3.9417   27.716   7.9012   29.600   8.2025 -1.883909 11.38901 
1 1 1   23    5   19 o   11.776   5.4243  -1.0087   2.3176  -0.7731   3.2002  -1.2687   3.3608   14.008   6.4236   13.879   6.4417 0.1291914 9.097182 
1 1 1   23    5   20 o   19.813   6.4406   3.9144   2.2935   1.3818   3.2176   6.5302   3.2701   16.046   6.9460   24.390   7.6658 -8.343851 10.34459 
1 1 1   23    5   21 o   12.631   5.7010  -0.0004   2.3987  -1.7288   3.3818   1.7494   3.4028   12.894   6.1304   16.060   7.0440 -3.166671 9.338078 
1 1 1   23    5   22 f   18.771   6.6182   3.9633   2.4252   2.7062   3.4127   5.2458   3.4471   16.678   7.1862   20.170   7.7488 -3.491991 10.56811 
1 1 1   23    6    0 o   16.077   9.0507   2.9196   3.4704   2.9196   3.4704   2.9196   3.4704   16.077   9.0507   16.077   9.0507 0.000000 0.000000 
1 1 1   23    6    1 o  145.898   1.7872  167.673   4.0920  168.889   5.7846  166.455   5.7893  146.146   2.5222  145.080   2.5428 1.066055 3.581511 
1 1 1   23    6    2 o   92.499   2.3074   67.576   3.3494   73.335   4.7566   61.912   4.7171   96.037   3.1604   88.133   3.4171 7.903915 4.654523 
1 1 1   23    6    3 o   68.736   2.8059   37.497   3.0203   40.718   4.2582   34.236   4.2847   71.292   3.8200   65.209   4.2095 6.083000 5.684418 
1 1 1   23    6    4 o  103.717   2.4771   85.071   4.0318   80.541   5.3807   90.871   6.0882  100.508   3.4163  106.651   3.6430 -6.142998 4.994250 
1 1 1   23    6    5 f   93.282   2.5678   68.922   3.7554   71.995   5.5003   66.238   5.1400   94.867   3.7017   91.034   3.6050 3.832710 5.167103 
1 1 1   23    6    6 o   46.980   4.0884   17.840   2.9842   12.590   4.1212   23.627   4.3270   38.238   7.1301   53.661   5.2035 -15.42321 8.826952 
1 1 1   23    6    7 o  102.557   2.1994   83.106   3.5398   85.820   5.0372   80.458   4.9753  103.822   3.0951  100.493   3.1588 3.329414 4.422407 
1 1 1   23    6    8 o   39.693   4.4820   12.884   2.7431   11.242   3.8962   14.497   3.8627   35.964   7.1553   41.456   6.1213 -5.492264 9.416453 
1 1 1   23    6    9 o   45.552   3.8737   16.785   2.7428   17.565   3.8539   15.983   3.9045   45.955   5.4499   43.626   5.8504 2.328732 7.995511 
1 1 1   23    6   10 o   55.720   3.2831   24.899   2.8580   22.552   4.0168   27.305   4.0674   52.302   4.9529   57.814   4.5189 -5.512020 6.704626 
1 1 1   23    6   11 o   15.947   6.4944   1.1206   2.5562   2.0567   3.6096   0.1789   3.6204   19.286   7.7668   16.941   7.3506 2.344290 10.69366 
1 1 1   23    6   12 o   17.678   6.7433   2.1220   2.5983   3.0731   3.7008   1.1975   3.6488   20.759   8.0147   18.102   7.5998 2.656773 11.04498 
1 1 1   23    6   13 o   12.908   5.8552  -1.0367   2.5680   3.8240   3.6765  -5.6681   3.5887   21.662   8.0737   12.000   5.8531 9.662252 9.972142 
1 1 1   23    6   14 o   81.246   2.4161   52.715   3.0771   54.252   4.2495   51.021   4.4615   81.795   3.3175   79.088   3.6042 2.707085 4.898603 
1 1 1   23    6   15 o   30.052   5.4915   7.9725   2.4944   9.4509   3.4570   6.3666   3.6028   31.656   7.1306   25.436   8.0532 6.219791 10.75636 
1 1 1   23    6   16 o   15.997   6.2903   1.7744   2.3131  -1.0204   3.2378   4.6873   3.3056   14.169   6.4839   22.068   7.7309 -7.898218 10.09001 
1 1 1   23    6   17 o   12.522   5.6199  -0.4072   2.2938  -2.6659   3.2347   1.8773   3.2531   12.665   6.0142   17.328   7.2180 -4.662373 9.395214 
1 1 1   23    6   18 o   17.344   6.7805   2.4273   2.6746   1.0421   3.7872   3.8056   3.7777   16.887   7.4182   20.281   8.0188 -3.393084 10.92389 
1 1 1   23    6   19 o   21.812   6.7712   4.7559   2.5597   3.9219   3.5450   5.6643   3.6998   20.083   7.8191   22.857   8.1629 -2.773981 11.30359 
1 1 1   23    6   20 o   12.107   5.5511  -0.6443   2.3887  -4.3416   3.3993   2.9623   3.3573   11.535   5.6415   18.031   7.4046 -6.495965 9.308870 
1 1 1   23    6   21 o   11.284   5.3077  -1.2502   2.4105   1.4821   3.4071  -3.9888   3.4110   15.626   6.9420   11.457   5.6133 4.169352 8.927460 
1 1 1   23    7    0 o   52.717   4.3754   22.511   3.5603   22.511   3.5603   22.511   3.5603   52.717   4.3754   52.717   4.3754 0.000000 0.000000 
1 1 1   23    7    1 o  117.781   1.9041  109.357   3.5194  109.329   4.9976  109.385   4.9569  117.487   2.7106  117.526   2.6876 -0.3929901E-01 3.817137 
1 1 1   23    7    2 o   88.769   2.2234   62.264   3.0948   60.033   4.4055   64.439   4.3486   86.823   3.2390   90.019   3.0828 -3.195618 4.471596 
1 1 1   23    7    3 o  119.076   1.9225  111.796   3.5925  110.241   5.0857  113.345   5.0755  117.948   2.7476  119.616   2.7038 -1.667778 3.854869 
1 1 1   23    7    4 o  126.128   2.4471  125.830   4.8436  125.456   6.8144  126.212   6.8860  125.393   3.4663  125.754   3.4927 -0.3612442 4.920787 
1 1 1   23    7    5 o   68.771   2.8521   37.593   3.0713   39.898   4.3687   35.341   4.3188   70.433   3.9686   66.188   4.1793 4.245560 5.763310 
1 1 1   23    7    6 o   75.967   2.6115   45.783   3.1087   45.506   4.4187   46.054   4.3744   75.301   3.7511   75.782   3.6894 -0.4803543 5.261382 
1 1 1   23    7    7 o   56.020   3.2740   25.105   2.8657   20.104   3.9642   30.578   4.1475   49.382   5.1930   61.421   4.3306 -12.03871 6.761804 
1 1 1   23    7    8 o   27.715   6.2553   6.6261   2.6558   7.1020   3.7105   6.1262   3.8030   28.219   8.0085   26.375   8.2636 1.844154 11.50753 
1 1 1   23    7    9 o   24.404   6.6714   5.1953   2.6276   2.1194   3.9365   7.6671   3.5288   20.003   8.0912   29.308   7.6070 -9.305130 11.10559 
1 1 1   23    7   10 o   89.565   2.4175   63.673   3.3948   61.793   4.8955   65.414   4.7117   87.643   3.5668   90.321   3.3299 -2.677582 4.879569 
1 1 1   23    7   11 o   18.941   6.7841   2.7911   2.5574   3.1501   3.6819   2.4565   3.5550   20.905   8.0141   19.703   7.7825 1.202253 11.17111 
1 1 1   23    7   12 o   18.702   6.7913   2.7149   2.5735   6.3912   3.6853  -0.7843   3.5955   26.300   8.1180   15.706   7.0436 10.59340 10.74778 
1 1 1   23    7   13 o   43.962   4.0314   15.944   2.7503   16.565   3.9214   15.342   3.8583   43.679   5.8693   41.899   6.0423 1.779800 8.423615 
1 1 1   23    7   14 o   26.805   6.3436   6.5487   2.6266   8.1703   3.7322   4.9572   3.6973   28.977   7.9628   23.077   8.1684 5.899731 11.40741 
1 1 1   23    7   15 o   17.032   6.6227   2.1194   2.5405   3.2878   3.5703   0.9210   3.6157   20.028   7.8328   16.986   7.3579 3.042044 10.74669 
1 1 1   23    7   16 o   34.072   4.9558   10.149   2.5722   9.1140   3.6470   11.173   3.6283   30.151   7.6860   34.143   7.0068 -3.992077 10.40045 
1 1 1   23    7   17 o   14.389   6.1562   0.7189   2.4715   4.2808   3.5430  -2.6572   3.4493   21.025   7.9073   13.094   6.2157 7.930692 10.05783 
1 1 1   23    7   18 o   12.683   5.8726  -1.2328   2.7686  -0.8045   4.1286  -1.5827   3.7321   15.635   7.2155   14.355   6.7047 1.279696 9.849678 
1 1 1   23    7   19 o   44.899   4.4578   17.597   3.0995   15.232   4.3814   19.967   4.3854   38.422   7.5358   45.731   6.2761 -7.308250 9.807019 
1 1 1   23    7   20 o   28.399   6.2841   8.1509   2.7265   11.085   3.9181   5.3958   3.7964   31.026   7.9968   21.232   8.1382 9.793678 11.40954 
1 1 1   23    7   21 o   9.4517   4.6369  -3.3632   2.3517  -7.9968   3.3089   1.3661   3.3429   9.4514   4.7667   15.267   6.8230 -5.815106 8.323129 
1 1 1   23    8    0 o  167.018   2.4724  219.923   6.4770  219.923   6.4770  219.923   6.4770  167.018   2.4724  167.018   2.4724 0.000000 0.000000 
1 1 1   23    8    1 o   75.353   2.4381   44.957   2.8793   46.354   4.1018   43.601   4.0427   76.179   3.4399   73.855   3.4980 2.323952 4.906007 
1 1 1   23    8    2 o   88.236   2.2022   61.497   3.0494   61.313   4.3080   61.681   4.3169   87.755   3.1333   88.019   3.1303 -0.2641525 4.429008 
1 1 1   23    8    3 o   89.485   2.2993   63.338   3.2262   61.586   4.3879   65.400   4.7600   87.915   3.1857   90.525   3.3565 -2.609695 4.627574 
1 1 1   23    8    4 o  111.790   2.1482   98.709   3.7686   97.736   5.7064   99.461   5.0187  110.703   3.2883  111.896   2.8604 -1.192696 4.358349 
1 1 1   23    8    5 o   85.185   2.3181   57.434   3.0960   58.091   4.3702   56.772   4.3867   85.309   3.2704   84.310   3.3221 0.9988174 4.661713 
1 1 1   23    8    6 o   55.215   3.2071   24.377   2.7670   23.591   3.7557   25.311   4.0921   53.838   4.4860   55.668   4.7288 -1.830746 6.518130 
1 1 1   23    8    7 o   34.865   5.1096   10.117   2.7127   7.2737   3.8061   13.053   3.8672   28.514   8.1173   39.045   6.5427 -10.53081 10.42577 
1 1 1   23    8    8 o   18.372   6.8254   2.3851   2.6234   4.0825   3.7119   0.6912   3.7081   22.650   8.1656   17.810   7.5776 4.840275 11.13988 
1 1 1   23    8    9 o   46.205   3.9726   17.354   2.8526   19.255   4.0484   15.479   4.0202   47.972   5.4756   42.586   6.1972 5.385418 8.269633 
1 1 1   23    8   10 o   17.460   6.7583   1.9398   2.6364   1.7159   3.7366   2.1616   3.7203   18.980   7.8048   19.551   7.8810 -0.5712605 11.09169 
1 1 1   23    8   11 o   19.332   6.8481   2.9990   2.5991   3.2380   3.6659   2.7573   3.6855   20.908   8.0012   20.213   7.9424 0.6948242 11.27392 
1 1 1   23    8   12 f   15.593   6.4074   1.0856   2.5159   3.5026   3.7907  -0.8176   3.3636   21.205   8.1309   15.067   6.7801 6.137918 10.58682 
1 1 1   23    8   13 o   48.579   3.4482   19.253   2.6117   22.554   3.7129   16.020   3.6743   51.843   4.6118   42.995   5.5770 8.847900 7.236824 
1 1 1   23    8   14 o   30.055   5.4473   7.9667   2.4747   9.6289   3.5006   6.3062   3.4988   31.914   7.1655   25.353   7.9236 6.560890 10.68312 
1 1 1   23    8   15 o   14.497   6.0923   0.8508   2.3484  -0.6191   3.3165   2.3289   3.3257   14.715   6.6665   18.245   7.4162 -3.530337 9.972063 
1 1 1   23    8   16 o   16.460   6.4985   1.9793   2.4777   2.2671   3.5057   1.6920   3.5024   18.150   7.5210   17.411   7.3845 0.7390633 10.54017 
1 1 1   23    8   17 o   21.506   6.7454   4.5198   2.5333   2.4158   3.5384   6.7323   3.6285   18.204   7.5508   25.137   8.0953 -6.932943 11.07016 
1 1 1   23    8   18 o   17.324   6.6956   2.5445   2.5849  -2.8658   3.7750   7.3207   3.5469   13.444   6.4158   26.058   7.9495 -12.61380 10.21556 
1 1 1   23    8   19 o   17.181   6.7119   2.6251   2.6191   6.7014   3.7867  -1.1136   3.6265   23.990   8.2821   14.188   6.6207 9.801835 10.60317 
1 1 1   23    8   20 o   17.687   6.5189   3.2272   2.3846   5.3380   3.4344   1.2623   3.3136   20.989   7.8072   15.410   6.8460 5.578742 10.38364 
1 1 1   23    8   21 o   12.925   5.9168   0.0262   2.6997   0.5991   3.6418  -0.6728   4.0226   14.704   6.7824   14.168   6.7217 0.5352879 9.548955 
1 1 1   23    9    0 o   26.120   9.2918   7.3350   3.4697   7.3350   3.4697   7.3350   3.4697   26.120   9.2918   26.120   9.2918 0.000000 0.000000 
1 1 1   23    9    1 o  129.855   1.8905  133.002   3.8526  135.225   5.4857  130.839   5.4119  130.595   2.6767  128.456   2.6846 2.138931 3.791015 
1 1 1   23    9    2 o   70.872   2.5413   39.837   2.8218   40.456   4.0357   39.245   3.9472   71.029   3.6326   69.965   3.6072 1.064095 5.119292 
1 1 1   23    9    3 o   65.100   2.7696   33.695   2.8230   32.765   4.0232   34.596   3.9620   63.724   4.0440   65.563   3.8680 -1.838840 5.596016 
1 1 1   23    9    4 o   63.247   2.9353   31.867   2.9055   30.374   4.1963   33.243   4.0268   61.172   4.4007   64.184   4.0180 -3.011803 5.959070 
1 1 1   23    9    5 o  103.874   2.0805   85.241   3.3915   86.457   4.8584   84.086   4.7366  104.203   2.9740  102.781   2.9396 1.422737 4.181661 
1 1 1   23    9    6 o   46.723   3.6567   17.605   2.6599   16.102   3.7122   19.191   3.8131   43.929   5.5054   48.193   5.1201 -4.263412 7.518271 
1 1 1   23    9    7 o   50.561   3.3749   20.539   2.6625   20.791   3.7736   20.290   3.7571   50.260   4.8444   49.627   4.8877 0.6334572 6.881653 
1 1 1   23    9    8 o   59.405   2.9842   28.215   2.7731   29.645   3.9551   26.833   3.8892   60.352   4.2022   57.328   4.3556 3.023529 6.052306 
1 1 1   23    9    9 o   32.056   5.8190   8.8168   2.8195   7.1443   4.1534   10.246   3.8397   27.853   8.6218   33.793   7.4421 -5.939577 11.38945 
1 1 1   23    9   10 o   61.554   3.1167   30.428   3.0009   27.794   4.1499   33.316   4.3445   58.046   4.5931   63.722   4.3711 -5.675472 6.340563 
1 1 1   23    9   11 o   32.976   5.4852   9.3509   2.7389   10.248   3.8839   8.4631   3.8628   33.324   7.5963   29.977   8.0444 3.347713 11.06419 
1 1 1   23    9   12 o   41.570   4.4060   14.441   2.8306   15.019   3.9466   13.828   4.0621   41.159   6.3110   39.060   6.8780 2.099812 9.334702 
1 1 1   23    9   13 o   22.537   6.8359   4.7132   2.6278   8.0975   3.6583   1.1054   3.7772   28.804   7.8709   17.612   7.5741 11.19110 10.92326 
1 1 1   23    9   14 o   23.739   7.0583   5.4047   2.8224   3.5971   3.8877   7.4189   4.1039   20.655   8.1447   26.749   8.6088 -6.094202 11.85108 
1 1 1   23    9   15 o   16.982   6.7589   2.0847   2.7006   4.3758   3.9691   0.1097   3.6851   21.509   8.3012   16.001   7.1566 5.508259 10.96024 
1 1 1   23    9   16 o   14.727   6.2891   0.8323   2.5707  -0.9286   3.6083   2.6473   3.6632   14.761   6.7879   18.690   7.7111 -3.929478 10.27304 
1 1 1   23    9   17 o   17.270   6.5087   2.5608   2.4032   2.2672   3.4389   2.8411   3.3598   17.813   7.4208   18.529   7.4822 -0.7163429 10.53816 
1 1 1   23    9   18 o   11.772   5.4066  -0.8459   2.2794  -1.2699   3.2714  -0.4458   3.1777   13.571   6.3180   14.139   6.4522 -0.5673132 9.030402 
1 1 1   23    9   19 o   27.781   6.7552   8.0484   2.9162   9.9371   4.2312   6.3394   4.0248   28.269   8.6937   22.635   8.4453 5.633589 12.12040 
1 1 1   23    9   20 o   12.826   5.7681   0.2409   2.4301  -1.3009   3.4177   1.8175   3.4561   13.081   6.2030   15.902   7.0318 -2.821121 9.376743 
1 1 1   23   10    0 o  156.937   2.5442  194.383   6.2622  194.383   6.2622  194.383   6.2622  156.937   2.5442  156.937   2.5442 0.000000 0.000000 
1 1 1   23   10    1 o   17.129   6.5816   1.8158   2.4873  -2.0728   3.4340   6.1075   3.6076   14.387   6.6182   26.341   8.0136 -11.95367 10.39315 
1 1 1   23   10    2 o   79.778   2.3791   50.431   2.9753   50.795   4.2003   50.063   4.2150   79.680   3.3667   79.086   3.4042 0.5943756 4.787794 
1 1 1   23   10    3 o   53.376   3.2601   22.817   2.7178   25.243   3.9455   20.627   3.7490   55.629   4.5596   50.136   4.8245 5.492935 6.638177 
1 1 1   23   10    4 o   57.118   3.0476   26.062   2.7218   24.408   3.8427   27.728   3.8558   54.691   4.5175   58.447   4.2325 -3.755955 6.190534 
1 1 1   23   10    5 o   65.574   2.8510   34.270   2.9269   33.615   3.9985   35.026   4.2958   64.477   3.9710   65.713   4.1875 -1.236259 5.770953 
1 1 1   23   10    6 o   62.149   2.8809   30.822   2.8021   34.304   3.9764   27.387   3.9492   65.125   3.9087   57.943   4.3755 7.181858 5.867113 
1 1 1   23   10    7 o   55.736   3.1507   24.911   2.7446   25.649   3.9223   24.203   3.8419   55.941   4.5059   54.310   4.5494 1.630779 6.403175 
1 1 1   23   10    8 o   12.821   5.8219  -1.1539   2.5473  -3.8385   3.5950   1.5531   3.6100   13.257   6.3079   18.536   7.6519 -5.279428 9.916666 
1 1 1   23   10    9 o   37.760   4.9876   11.963   2.8833   5.7373   4.0806   18.170   4.0745   25.227   8.6012   46.205   5.7428 -20.97844 10.34218 
1 1 1   23   10   10 o   81.217   2.4593   52.571   3.1309   55.438   4.3793   49.573   4.4779   82.842   3.3756   78.132   3.6623 4.710091 4.980660 
1 1 1   23   10   11 o   50.804   3.6714   21.118   2.9074   20.393   4.3944   21.682   3.8773   48.405   5.9073   50.662   4.9395 -2.257492 7.700294 
1 1 1   23   10   12 o   39.558   4.6316   13.251   2.8208   21.207   4.0447   5.7164   3.9361   49.641   5.2726   24.333   8.4417 25.30794 9.953047 
1 1 1   23   10   13 o   22.938   6.9758   4.9933   2.7340   3.8343   3.6605   6.4558   4.1118   20.910   7.9971   25.182   8.6327 -4.271358 11.76758 
1 1 1   23   10   14 o   25.439   6.9890   6.2870   2.8755   7.7346   4.0351   4.7932   4.0989   27.063   8.5167   22.236   8.4726 4.826921 12.01327 
1 1 1   23   10   15 o   23.795   6.7393   5.5183   2.6303   7.2534   3.7045   3.7541   3.7353   26.199   8.1479   20.323   7.9928 5.876352 11.41371 
1 1 1   23   10   16 o   18.017   6.9746   2.7725   2.8081   6.0876   3.9242  -0.7066   4.0201   23.716   8.4134   15.564   7.1601 8.151725 11.04770 
1 1 1   23   10   17 o   24.383   7.0045   6.0490   2.8216   9.1937   3.9890   2.9001   3.9917   28.792   8.3459   18.936   7.9494 9.855795 11.52593 
1 1 1   23   10   18 o   15.280   6.4294   1.4554   2.6206   2.7100   3.8660   0.3887   3.5647   18.165   7.7333   15.377   6.9443 2.787655 10.39360 
1 1 1   23   10   19 o   10.151   4.9630  -3.4616   2.6245  -1.4366   4.0208  -4.9649   3.4642   14.048   6.6807   11.112   5.4856 2.935930 8.644318 
1 1 1   23   10   20 o   9.6601   4.7280  -3.1495   2.4009   1.8308   3.5253  -7.4576   3.2788   15.728   7.0196   9.5287   4.7979 6.199553 8.502615 
1 1 1   23   11    0 o   20.558   9.8330   5.2279   3.6423   5.2279   3.6423   5.2279   3.6423   20.558   9.8330   20.558   9.8330 0.000000 0.000000 
1 1 1   23   11    1 o  129.315   2.0094  132.116   4.0778  131.357   5.9646  132.782   5.5877  128.431   2.9594  129.253   2.7548 -0.8221130 4.043113 
1 1 1   23   11    2 o   54.637   3.2483   23.929   2.7726   21.476   3.9079   26.416   3.9343   51.044   4.9402   56.906   4.4407 -5.861404 6.642677 
1 1 1   23   11    3 o   88.774   2.3789   62.498   3.3111   72.027   4.6034   52.284   4.7661   94.963   3.0931   80.536   3.7816 14.42655 4.885512 
1 1 1   23   11    4 o   61.352   2.9226   30.059   2.8058   27.498   3.9038   32.797   4.0354   58.077   4.3140   63.582   4.0657 -5.504292 5.927946 
1 1 1   23   11    5 o   40.767   4.1052   13.581   2.5906   13.927   3.6843   13.243   3.6435   40.426   5.9883   39.348   6.0975 1.077888 8.546335 
1 1 1   23   11    6 o   34.426   4.9936   9.9271   2.6192   12.375   3.6719   7.3919   3.7371   37.798   6.4197   28.437   8.0258 9.361092 10.27749 
1 1 1   23   11    7 o   35.796   4.7939   10.696   2.6254   14.579   3.7366   6.9104   3.6895   41.276   5.9394   27.431   8.0479 13.84501 10.00221 
1 1 1   23   11    8 o   23.568   6.6261   4.9446   2.5523   5.6347   3.5534   4.2092   3.6682   24.902   8.0103   22.419   8.1127 2.482864 11.40094 
1 1 1   23   11    9 o   73.095   3.3174   43.165   3.7954   43.671   5.2361   42.604   5.5094   72.554   4.6228   71.379   4.9491 1.175034 6.772262 
1 1 1   23   11   10 o   44.595   4.0461   16.446   2.8008   12.388   3.8473   21.021   4.0854   36.921   6.8936   49.571   5.3356 -12.65057 8.717255 
1 1 1   23   11   11 o   62.468   3.2202   31.702   3.1461   34.705   4.5935   29.049   4.3179   64.263   4.5850   58.645   4.7319 5.618366 6.588854 
1 1 1   23   11   12 o   14.798   6.3347   0.6162   2.6197   0.6093   3.6704   0.6233   3.7402   16.739   7.3293   16.868   7.3920 -0.1294460 10.40964 
1 1 1   23   11   13 o   45.113   3.9856   17.074   2.7926   17.661   4.0044   16.517   3.8966   44.263   5.9126   42.737   5.9728 1.526417 8.404350 
1 1 1   23   11   14 o   26.775   6.4366   6.8355   2.6711   9.9939   3.8028   3.7598   3.7527   31.318   7.7739   20.370   8.0114 10.94771 11.16313 
1 1 1   23   11   15 o   16.618   6.6664   2.0269   2.6482   3.8789   3.7666   0.2166   3.7240   20.342   8.0183   15.937   7.1560 4.405485 10.74717 
1 1 1   23   11   16 o   33.112   5.4060   9.9848   2.7123   12.675   3.8791   7.4118   3.7938   35.603   7.1906   25.918   8.2708 9.685823 10.95951 
1 1 1   23   11   17 o   14.946   6.4120   1.0608   2.6948   3.9778   3.7245  -2.1438   3.9038   19.927   7.9354   13.990   6.6327 5.937066 10.34228 
1 1 1   23   11   18 o   16.701   6.6435   2.5559   2.6077   6.4461   3.7391  -1.1279   3.6386   22.888   8.2024   13.889   6.5294 8.998682 10.48392 
1 1 1   23   11   19 o   11.996   5.6253  -0.9705   2.6712   3.2288   4.1237  -4.0066   3.5063   17.638   7.7445   11.520   5.6537 6.117670 9.588646 
1 1 1   23   12    0 o  103.615   3.0196   85.185   4.9005   85.185   4.9005   85.185   4.9005  103.615   3.0196  103.615   3.0196 0.000000 0.000000 
1 1 1   23   12    1 o   13.352   5.9416  -0.6206   2.5067  -2.4776   3.5877   1.1505   3.5038   14.297   6.6425   17.878   7.4724 -3.580725 9.998021 
1 1 1   23   12    2 o   85.078   2.3775   57.461   3.1711   62.243   4.5322   52.875   4.4386   88.091   3.2842   81.063   3.4973 7.028122 4.797667 
1 1 1   23   12    3 o   15.605   6.4054   0.9856   2.5109   2.2584   3.5438  -0.2975   3.5581   19.427   7.7391   16.254   7.1634 3.173307 10.54548 
1 1 1   23   12    4 o   13.929   6.0883  -0.1779   2.5229   2.2595   3.5804  -2.5816   3.5555   19.454   7.7692   14.099   6.5714 5.354446 10.17570 
1 1 1   23   12    5 o   50.055   3.4914   20.256   2.7254   18.429   3.7914   22.209   3.9204   46.879   5.2433   51.716   4.8885 -4.836864 7.168684 
1 1 1   23   12    6 o   30.989   5.6448   8.2671   2.6440   6.8377   3.7738   9.6452   3.7055   27.161   8.1820   32.595   7.4122 -5.433605 11.04022 
1 1 1   23   12    7 o   36.653   4.9253   11.314   2.7614   14.025   3.9203   8.6441   3.8904   39.960   6.4727   30.357   8.0400 9.602882 10.32167 
1 1 1   23   12    8 f   55.976   3.4953   25.472   3.0550   32.323   4.3983   19.084   4.2467   62.372   4.5243   46.935   5.8953 15.43676 7.431278 
1 1 1   23   12    9 o   26.638   7.1840   6.6406   3.0714   9.9189   4.0451   2.1771   4.7200   32.060   8.0520   20.254   8.5807 11.80589 11.76702 
1 1 1   23   12   10 o   59.275   3.3235   28.635   3.0791   36.361   4.4294   21.410   4.2834   66.010   4.2992   49.555   5.6064 16.45560 7.065074 
1 1 1   23   12   11 o   36.760   5.8392   12.079   3.2559   7.9197   4.5544   16.426   4.6565   27.358   9.0856   41.531   7.4167 -14.17354 11.72838 
1 1 1   23   12   12 o   38.775   4.7153   12.968   2.8103   17.786   4.0079   8.3075   3.9418   44.429   5.8937   28.242   8.3273 16.18675 10.20190 
1 1 1   23   12   13 o   29.186   6.1152   7.9480   2.7111   10.878   3.8214   4.9789   3.8469   32.961   7.5504   22.234   8.2642 10.72725 11.19393 
1 1 1   23   12   14 o   14.833   6.2788   1.0004   2.5237   2.1531   3.6607  -0.0436   3.4839   17.972   7.5825   15.298   6.8907 2.674554 10.24579 
1 1 1   23   12   15 o   32.102   5.3126   9.3431   2.5829   7.7867   3.6631   10.882   3.6425   26.829   8.0564   32.868   7.2561 -6.038988 10.84235 
1 1 1   23   12   16 o   13.587   5.9404   0.4162   2.4032  -2.5049   3.4247   3.2503   3.3733   12.902   6.1442   18.832   7.5343 -5.929264 9.721998 
1 1 1   23   12   17 o   49.518   3.4203   20.737   2.6416   23.911   3.7870   17.730   3.6865   51.545   4.7346   43.360   5.5444 8.184959 7.290886 
1 1 1   23   12   18 o   14.186   6.0627   1.2819   2.3925   2.9368   3.4299  -0.2864   3.3390   17.269   7.3153   13.817   6.4156 3.451891 9.730088 
1 1 1   23   12   19 o   13.073   5.8698   0.5105   2.5055   5.2354   3.8656  -2.9125   3.2902   19.594   7.9839   11.607   5.6486 7.986904 9.780050 
1 1 1   23   13    0 o   64.928   4.1082   34.060   4.1470   34.060   4.1470   34.060   4.1470   64.928   4.1082   64.928   4.1082 0.000000 0.000000 
1 1 1   23   13    1 o   59.398   3.0953   28.326   2.8753   27.962   4.0698   28.690   4.0628   58.297   4.4829   59.097   4.4127 -0.7997284 6.290388 
1 1 1   23   13    2 o   19.486   6.7762   3.0997   2.5368   3.3144   3.6353   2.8959   3.5417   21.004   7.9848   20.250   7.8345 0.7536659 11.18643 
1 1 1   23   13    3 o   32.603   5.8410   9.1836   2.8787   11.093   4.1159   7.3549   4.0277   34.819   7.7339   28.030   8.4548 6.789009 11.45846 
1 1 1   23   13    4 o   43.448   4.6756   15.711   3.1379   13.418   4.2935   18.340   4.5972   38.556   7.3645   45.774   6.5894 -7.218170 9.882092 
1 1 1   23   13    5 o   64.000   3.4385   33.153   3.4408   35.493   4.9107   30.897   4.8225   65.277   4.8280   60.671   5.1126 4.605602 7.031939 
1 1 1   23   13    6 o   13.659   6.2235  -1.2054   2.9418  -0.2949   4.1394  -2.1346   4.1815   17.087   7.6175   15.590   7.2183 1.496767 10.49430 
1 1 1   23   13    7 o   64.380   3.2130   33.562   3.2359   30.662   4.3188   37.275   4.8860   60.572   4.5772   66.707   4.6975 -6.134380 6.558784 
1 1 1   23   13    8 o   17.408   6.7925   2.1251   2.6799   5.1439   3.8013  -0.8578   3.7787   23.406   8.2827   15.666   7.1049 7.739508 10.91257 
1 1 1   23   13    9 o   40.738   4.5198   14.052   2.8409   14.342   3.9758   13.750   4.0610   39.597   6.6325   38.466   6.9847 1.130955 9.632020 
1 1 1   23   13   10 o   59.115   3.2407   28.563   2.9949   30.995   4.3334   26.339   4.1437   60.383   4.6079   55.453   4.8092 4.930023 6.660424 
1 1 1   23   13   11 o   32.818   6.0724   9.8887   3.0122   8.5592   4.2876   11.185   4.2328   28.207   8.7647   32.995   8.2083 -4.788065 12.00816 
1 1 1   23   13   12 o   54.454   3.2896   24.442   2.7981   26.956   4.0385   22.122   3.8804   55.895   4.6460   50.272   4.9842 5.623722 6.813740 
1 1 1   23   13   13 o   13.971   6.0762   0.4448   2.4863   0.1801   3.5029   0.7135   3.5295   15.539   6.9618   16.134   7.1215 -0.5949049 9.959076 
1 1 1   23   13   14 o   32.845   5.0320   9.6479   2.5112   5.0253   3.5505   14.275   3.5522   21.916   7.9741   39.145   5.9712 -17.22819 9.962049 
1 1 1   23   13   15 o   14.564   6.1560   1.0731   2.4203   3.4933   3.4887  -1.1726   3.3605   19.265   7.6773   13.817   6.4227 5.447392 10.00957 
1 1 1   23   13   16 o   28.250   5.7361   7.6603   2.4561   8.7000   3.5179   6.6715   3.4307   27.931   7.7523   24.142   7.8791 3.789713 11.05345 
1 1 1   23   13   17 o   15.832   6.7359   1.9870   2.9296   0.6990   4.3649   3.0429   3.9521   15.897   7.3655   17.728   7.6859 -1.830578 10.64537 
1 1 1   23   13   18 o   16.338   6.5566   2.7439   2.5627   6.5373   3.6309  -1.0214   3.6175   21.866   8.0466   13.374   6.3533 8.492208 10.25245 
1 1 1   23   14    0 o   29.125   11.739   10.337   5.2289   10.337   5.2289   10.337   5.2289   29.125   11.739   29.125   11.739 0.000000 0.000000 
1 1 1   23   14    1 o   61.060   4.0670   30.594   3.8748   29.455   5.7539   31.539   5.2416   58.075   6.4205   60.882   5.5470 -2.806442 8.484786 
1 1 1   23   14    2 f   64.147   3.6557   33.497   3.6648   31.361   5.1809   35.636   5.1848   60.707   5.4979   65.067   5.1189 -4.360630 7.511961 
1 1 1   23   14    3 o   15.573   6.8639  -0.0996   3.2676  -1.7984   4.5978   1.6340   4.6446   16.621   7.6501   19.788   8.4520 -3.167768 11.40004 
1 1 1   23   14    4 o   43.753   4.4225   15.976   2.9949   17.792   4.4146   14.427   4.0765   44.765   6.4718   40.069   6.7206 4.695671 9.330093 
1 1 1   23   14    5 o   16.893   6.7912   1.7119   2.7544   2.2854   3.9096   1.1467   3.8812   19.379   7.9777   17.969   7.7017 1.410324 11.08872 
1 1 1   23   14    6 o   46.920   4.0498   18.275   2.9528   17.975   4.2496   18.556   4.1060   44.972   6.1851   46.000   5.8178 -1.028484 8.491272 
1 1 1   23   14    7 o   22.160   6.9922   4.5776   2.7181   0.5744   3.8648   8.4959   3.8236   17.119   7.5077   29.292   8.0638 -12.17252 11.01777 
1 1 1   23   14    8 o   37.257   4.9116   11.981   2.8018   7.1025   3.9179   17.088   4.0084   26.385   8.4032   43.667   6.0085 -17.28212 10.33033 
1 1 1   23   14    9 o   15.693   6.5147   1.2832   2.6370   0.9548   3.7205   1.6148   3.7382   17.036   7.4210   17.811   7.5943 -0.7745380 10.61807 
1 1 1   23   14   10 o   20.453   6.9576   3.9656   2.6699   3.9736   3.7839   3.9576   3.7677   20.790   8.0829   20.759   8.0671 0.3108597E-01 11.41978 
1 1 1   23   14   11 o   45.490   4.4066   17.767   3.1065   14.449   4.1481   22.004   4.6877   38.483   7.1311   48.633   6.2893 -10.14997 9.508333 
1 1 1   23   14   12 o   15.527   6.5007   1.3411   2.6584   6.1650   3.8867  -2.8994   3.6441   23.816   8.3798   13.230   6.3109 10.58542 10.49041 
1 1 1   23   14   13 o   49.363   3.8134   20.595   2.9312   19.798   4.1876   21.361   4.1042   46.196   5.9116   48.497   5.4892 -2.300480 8.067154 
1 1 1   23   14   14 o   18.368   6.8306   3.1802   2.6286   6.0419   3.7977   0.5482   3.6420   23.198   8.2717   15.844   7.0985 7.353470 10.90003 
1 1 1   23   14   15 o   11.396   5.4442  -2.3273   2.7336  -1.2800   3.9297  -3.3093   3.8052   14.458   6.7933   12.915   6.2348 1.543190 9.220737 
1 1 1   23   14   16 o   20.620   7.0761   4.7977   2.7629   3.3753   3.9592   6.1478   3.8573   18.176   7.7844   21.879   8.2459 -3.702625 11.33979 
1 1 1   23   14   17 o   17.199   6.8719   3.2228   2.8024   1.6475   4.0753   4.6359   3.8599   15.958   7.2916   19.002   7.8845 -3.044333 10.73930 
1 1 1   23   15    0 o   56.253   4.8006   26.216   4.1641   26.216   4.1641   26.216   4.1641   56.253   4.8006   56.253   4.8006 0.000000 0.000000 
1 1 1   23   15    1 o   22.480   7.0805   4.6703   2.7883   9.0930   3.9617   0.3287   3.9252   30.488   8.1312   17.092   7.5286 13.39568 11.08130 
1 1 1   23   15    2 o   36.199   5.2323   11.328   2.8862   14.268   4.1170   8.4872   4.0473   39.455   6.9005   29.223   8.3872 10.23220 10.86100 
1 1 1   23   15    3 o   26.771   6.9865   6.7352   2.9658   8.0464   4.0229   5.1739   4.3897   28.355   8.4258   23.512   8.8103 4.843319 12.19081 
1 1 1   23   15    4 o   37.006   5.2528   11.893   2.9649   15.446   4.2342   8.4739   4.1530   41.001   6.8201   28.911   8.5534 12.09017 10.93959 
1 1 1   23   15    5 o   48.695   3.9824   19.739   3.0167   16.163   4.2183   23.483   4.3159   42.017   6.6158   51.969   5.3693 -9.951073 8.520506 
1 1 1   23   15    6 o   15.662   6.5676   1.1153   2.7199   2.7632   3.6722  -0.8876   4.0483   19.309   7.8133   15.897   7.2653 3.411752 10.66922 
1 1 1   23   15    7 o   61.834   3.0378   31.144   2.9387   30.932   4.1728   31.352   4.1394   60.394   4.4337   60.877   4.3618 -0.4825172 6.219535 
1 1 1   23   15    8 o   14.490   6.2238   0.6292   2.5446  -3.6067   3.5810   4.9493   3.6164   12.803   6.1467   22.319   8.0581 -9.516757 10.13483 
1 1 1   23   15    9 o   33.600   5.1807   10.044   2.6440   16.983   3.7993   3.5280   3.6818   43.292   5.7332   19.955   7.9081 23.33690 9.767645 
1 1 1   23   15   10 o   14.934   6.3133   1.0413   2.5461  -2.7098   3.5714   4.9183   3.6309   13.247   6.2988   21.920   8.0499 -8.672635 10.22134 
1 1 1   23   15   11 o   12.216   5.7120  -1.5833   2.7213   0.2985   3.6948  -3.8147   4.0232   15.876   7.1283   13.346   6.4347 2.530509 9.603062 
1 1 1   23   15   12 o   29.727   6.3605   8.5419   2.8775   6.5817   4.0722   10.497   4.0666   24.100   8.5684   31.020   8.2221 -6.920479 11.87520 
1 1 1   23   15   13 o   21.776   7.0538   4.9076   2.7524   1.3721   3.8652   8.5446   3.9203   16.910   7.4587   27.362   8.3595 -10.45144 11.20334 
1 1 1   23   15   14 o   12.306   5.6932  -0.8958   2.5936   0.9401   3.6654  -2.7368   3.6705   15.937   7.1321   13.003   6.2376 2.934085 9.474932 
1 1 1   23   15   15 o   13.691   5.9709   0.8377   2.4148  -0.1859   3.4068   1.8713   3.4234   14.118   6.5291   16.168   7.0789 -2.049930 9.630161 
1 1 1   23   15   16 o   21.418   6.6156   5.1907   2.4469   5.7221   3.5209   4.6943   3.4030   20.788   7.8684   19.300   7.6172 1.488195 10.95143 
1 1 1   23   16    0 o   18.837   9.7665   4.8633   3.7321   4.8633   3.7321   4.8633   3.7321   18.837   9.7665   18.837   9.7665 0.000000 0.000000 
1 1 1   23   16    1 o   16.609   6.6441   1.8255   2.6228   4.6948   3.7349  -0.9659   3.6839   22.247   8.1654   15.169   6.9319 7.078233 10.71096 
1 1 1   23   16    2 o   18.422   6.9056   2.8177   2.6974   2.3394   3.8260   3.2904   3.8035   18.896   7.8459   20.134   8.0187 -1.238676 11.21865 
1 1 1   23   16    3 o   55.891   3.9645   26.078   3.4547   23.462   4.8514   28.769   4.9206   50.879   6.2042   57.115   5.5601 -6.236259 8.331051 
1 1 1   23   16    4 o   32.407   5.5577   9.3999   2.7247   6.7851   3.8791   11.946   3.8280   25.575   8.3802   35.274   7.1602 -9.699375 11.02256 
1 1 1   23   16    5 o   13.401   6.0306  -0.4565   2.6612   0.1710   3.7764  -1.0755   3.7506   16.228   7.2523   15.044   6.9190 1.183713 10.02339 
1 1 1   23   16    6 o   68.918   3.4521   39.233   3.7217   38.484   5.1116   40.077   5.4292   66.562   4.9286   67.629   5.1544 -1.066933 7.131551 
1 1 1   23   16    7 o   30.922   6.2441   8.9855   2.9255   9.4269   4.1442   8.5471   4.1303   29.541   8.4898   27.977   8.5868 1.563351 12.07517 
1 1 1   23   16    8 o   27.283   7.0260   7.4156   3.0263   4.0016   4.4129   10.447   4.1581   20.796   8.5089   31.178   8.3371 -10.38234 11.91256 
1 1 1   23   16    9 o   16.164   6.8133   1.5050   2.9512  -0.0881   4.1694   3.1047   4.1779   16.234   7.4016   19.445   8.1458 -3.211344 11.00630 
1 1 1   23   16   10 o   19.312   7.1952   3.5662   2.9194   2.7686   4.1257   4.3661   4.1315   18.901   8.0155   20.873   8.3425 -1.971891 11.56914 
1 1 1   23   16   11 o   18.482   7.0160   3.1845   2.8042   2.5494   3.9861   3.8067   3.9457   18.402   7.8441   19.917   8.0846 -1.515070 11.26456 
1 1 1   23   16   12 o   13.259   5.9512  -0.0670   2.5727  -1.5785   3.6551   1.4170   3.6217   13.920   6.5441   16.586   7.2711 -2.665799 9.782352 
1 1 1   23   16   13 o   17.675   6.7660   3.0308   2.6218   2.1976   3.5625   4.0152   3.8726   17.073   7.3491   19.470   7.9693 -2.397562 10.84056 
1 1 1   23   16   14 o   14.974   6.4330   1.5238   2.7195   2.1340   3.8705   0.9288   3.8218   16.698   7.4096   15.525   7.0814 1.173118 10.24934 
1 1 1   23   16   15 o   16.135   6.6281   2.5909   2.6911   2.9845   3.8109   2.1994   3.8006   17.031   7.4625   16.230   7.2629 0.8005085 10.41340 
1 1 1   23   17    0 o   13.030   8.2916   1.2699   3.7210   1.2699   3.7210   1.2699   3.7210   13.030   8.2916   13.030   8.2916 0.000000 0.000000 
1 1 1   23   17    1 o   11.418   5.4361  -2.5296   2.6772  -0.7912   3.7841  -4.2717   3.7882   15.266   6.9946   12.789   6.1853 2.476920 9.337195 
1 1 1   23   17    2 o   34.775   5.2367   10.758   2.7692   11.424   3.9543   10.118   3.8794   33.701   7.6523   31.409   7.8836 2.291977 10.98676 
1 1 1   23   17    3 o   27.372   6.8624   7.3242   2.9419   10.801   4.5009   4.7309   3.8872   31.416   8.7873   21.795   8.2634 9.620872 12.06236 
1 1 1   23   17    4 o   21.120   6.9918   4.3621   2.6977   5.4086   3.8259   3.3273   3.8045   22.776   8.2790   19.679   7.9565 3.096773 11.48254 
1 1 1   23   17    5 o   25.609   7.0471   6.5641   2.9209   6.7030   4.1352   6.4258   4.1262   24.639   8.6457   24.199   8.6228 0.4405422 12.21070 
1 1 1   23   17    6 o   21.502   7.5537   4.6884   3.1572   0.6066   4.1276   10.444   4.9013   16.825   7.5460   29.690   9.3921 -12.86500 12.04797 
1 1 1   23   17    7 o   36.767   5.3999   12.269   3.0229   11.351   4.0883   13.375   4.4898   32.701   8.0271   35.365   8.2429 -2.664188 11.50567 
1 1 1   23   17    8 o   19.499   7.0340   3.6962   2.7549   2.1712   3.8827   5.2424   3.9096   17.982   7.7052   22.077   8.3057 -4.095076 11.32936 
1 1 1   23   17    9 o   19.744   7.1163   3.8652   2.8191  -0.0416   3.9372   7.9750   4.0382   15.760   7.1882   26.336   8.5451 -10.57543 11.16645 
1 1 1   23   17   10 o   11.131   5.3426  -2.6935   2.7013  -3.2443   3.8174  -2.1411   3.8231   13.116   6.3097   13.843   6.5633 -0.7275743 9.104351 
1 1 1   23   17   11 o   20.857   7.2983   4.6583   2.9454   0.4260   4.0022   9.6587   4.3503   15.936   7.2604   28.018   8.8466 -12.08141 11.44442 
1 1 1   23   17   12 o   23.095   7.3637   6.0496   3.0079   3.2530   4.2186   8.9413   4.2898   18.407   7.9606   26.102   8.8198 -7.695387 11.88103 
1 1 1   23   17   13 o   18.180   7.0232   3.6720   2.8430   1.1905   4.1814   5.8054   3.8770   15.915   7.3143   20.930   8.1691 -5.015300 10.96509 
1 1 1   23   17   14 o   9.9081   4.8772  -3.7067   2.6729  -4.3133   3.7859  -3.1039   3.7742   11.675   5.7578   12.261   5.9853 -0.5866728 8.305166 
1 1 1   23   18    0 o   17.681   10.602   4.6118   5.2673   4.6118   5.2673   4.6118   5.2673   17.681   10.602   17.681   10.602 0.000000 0.000000 
1 1 1   23   18    1 o   21.598   7.8311   4.7976   3.4202   2.0879   4.8978   7.3767   4.7782   18.970   8.3805   25.056   9.2290 -6.085497 12.46624 
1 1 1   23   18    2 o   27.414   7.7001   7.9071   3.4485   1.7490   4.8681   14.109   4.8856   18.616   8.2823   35.688   8.7837 -17.07277 12.07268 
1 1 1   23   18    3 f   34.145   6.9263   11.507   3.5843   2.3321   5.0729   20.652   5.0650   19.262   8.5183   45.427   7.3563 -26.16456 11.25506 
1 1 1   23   18    4 o   18.754   7.2528   3.2154   3.0344   2.2054   4.2506   4.2652   4.3332   18.390   7.9720   20.796   8.4609 -2.406174 11.62493 
1 1 1   23   18    5 o   16.289   6.9263   1.5318   3.0948   4.0420   4.4218  -0.8787   4.3330   20.490   8.4645   15.713   7.3002 4.776608 11.17773 
1 1 1   23   18    6 o   20.127   7.4381   4.0657   3.1081   2.4066   4.3757   5.7553   4.4157   18.589   8.0730   22.595   8.7463 -4.006350 11.90257 
1 1 1   23   18    7 o   11.225   5.3915  -2.8053   2.7625  -4.0542   3.9337  -1.5900   3.8804   12.898   6.2535   14.385   6.7562 -1.487088 9.206103 
1 1 1   23   18    8 o   15.082   6.6295   0.7773   3.0291   1.4333   4.6618   0.2979   3.9849   17.705   7.9734   15.969   7.2633 1.736325 10.78566 
1 1 1   23   18    9 o   18.716   6.9356   3.4912   2.7056   8.0114   3.8716  -0.8237   3.7826   26.044   8.3596   14.610   6.7989 11.43420 10.77537 
1 1 1   23   18   10 o   23.857   6.9528   6.1366   2.7618   7.8919   3.9244   4.4142   3.8873   25.224   8.4352   19.879   8.0407 5.345516 11.65355 
1 1 1   23   18   11 o   13.945   6.2118   0.6642   2.7471   0.0300   3.9055   1.2852   3.8647   14.885   6.9208   15.901   7.2011 -1.016037 9.987608 
1 1 1   23   18   12 o   21.783   7.0282   5.5995   2.7341   6.4006   3.8332   4.7697   3.9010   21.505   8.1935   19.196   7.9421 2.308969 11.41098 
1 1 1   23   18   13 o   16.916   6.7655   3.2323   2.7191  -0.0896   3.7946   6.7380   3.8982   14.051   6.6246   21.323   8.2275 -7.272628 10.56302 
1 1 1   23   19    0 o   20.377   10.085   6.0673   3.8780   6.0673   3.8780   6.0673   3.8780   20.377   10.085   20.377   10.085 0.000000 0.000000 
1 1 1   23   19    1 o   30.108   6.4810   8.8881   2.9715   4.3597   4.1201   13.797   4.2897   20.644   8.3034   36.185   7.7853 -15.54063 11.38237 
1 1 1   23   19    2 o   28.977   6.6167   8.3333   2.9426   4.8097   4.1836   11.783   4.1397   21.224   8.4238   32.940   8.0723 -11.71520 11.66718 
1 1 1   23   19    3 o   33.821   5.8884   10.804   3.0118   6.5777   4.2631   15.015   4.2554   23.669   8.7175   38.276   7.3516 -14.60675 11.40359 
1 1 1   23   19    4 o   12.599   5.8565  -1.1910   2.7947  -1.1641   3.9260  -1.2186   3.9790   14.723   6.8766   14.765   6.9049 -0.4213715E-01 9.744986 
1 1 1   23   19    5 o   12.588   5.8482  -1.1346   2.7808  -2.1976   3.8978  -0.0327   3.9684   13.889   6.5970   15.635   7.1634 -1.746315 9.738343 
1 1 1   23   19    6 o   9.4026   4.7059  -6.6456   2.9258  -9.1714   4.1388  -4.1222   4.1367   10.935   5.4906   13.081   6.3585 -2.145438 8.401023 
1 1 1   23   19    7 o   25.299   6.6438   6.6117   2.6710   5.0361   3.7260   8.2774   3.8310   21.026   8.0615   26.383   8.2979 -5.357658 11.56909 
1 1 1   23   19    8 o   11.685   5.5885  -2.2577   2.8975  -2.7995   4.2015  -1.7664   4.0012   13.658   6.5828   13.994   6.6576 -0.3361950 9.362545 
1 1 1   23   19    9 o   13.211   5.9421   0.2640   2.5799  -1.2472   3.6440   1.7830   3.6532   13.580   6.4293   16.196   7.1920 -2.615879 9.646791 
1 1 1   23   19   10 o   12.478   5.7210  -0.1634   2.5373  -2.2219   3.6151   1.8352   3.5621   12.661   6.1033   15.833   7.0619 -3.172201 9.333889 
1 1 1   23   19   11 o   11.759   5.4880  -0.6457   2.4933  -3.1745   3.4931   1.9810   3.5601   11.737   5.7354   15.671   7.0197 -3.934363 9.064878 
1 1 1   23   19   12 o   10.399   5.0582  -2.5718   2.6284  -1.2107   3.8694  -3.7379   3.5814   13.257   6.3711   11.461   5.6423 1.795981 8.510320 
1 1 1   23   20    0 o   17.972   9.7161   4.9885   3.8226   4.9885   3.8226   4.9885   3.8226   17.972   9.7161   17.972   9.7161 0.000000 0.000000 
1 1 1   23   20    1 o   12.754   5.8482  -0.5884   2.6523  -0.5099   3.7466  -0.6672   3.7554   14.761   6.8337   14.646   6.8018 0.1144285 9.641748 
1 1 1   23   20    2 o   13.501   6.0618   0.0817   2.6716  -0.4109   3.7676   0.5798   3.7887   14.848   6.8666   15.738   7.1281 -0.8898010 9.897492 
1 1 1   23   20    3 o   11.816   5.5412  -1.3779   2.5935  -6.9302   3.6278   4.4260   3.7091   10.731   5.3508   20.071   7.9427 -9.339985 9.576873 
1 1 1   23   20    4 o   13.488   6.0505   0.1764   2.6554   1.5301   3.7744  -1.1503   3.7365   16.481   7.3148   14.097   6.6238 2.383433 9.868240 
1 1 1   23   20    5 o   19.867   7.0100   4.3011   2.7212   4.1851   3.8544   4.4164   3.8424   19.392   7.9454   19.696   7.9842 -0.3045940 11.26393 
1 1 1   23   20    6 o   15.260   6.5439   1.6279   2.8047   1.8493   4.2305   1.4543   3.7463   16.764   7.5684   16.004   7.1825 0.7596836 10.43407 
1 1 1   23   20    7 o   17.297   6.9175   3.1527   2.8425   2.4469   3.9733   3.8927   4.0682   16.862   7.4933   18.399   7.8855 -1.537195 10.87799 
1 1 1   23   20    8 o   13.418   6.2067  -0.0329   3.0808   2.2767   4.0925  -3.0538   4.6804   16.469   7.4387   13.560   6.6290 2.909312 9.963839 
1 1 1   23   20    9 o   15.169   6.5129   2.0284   2.7845   3.6472   3.8837   0.3160   3.9943   17.443   7.5902   14.557   6.8425 2.886121 10.21916 
1 1 1   23   20   10 o   14.368   6.3722   1.4751   2.8588   1.8210   3.8629   1.0562   4.2506   15.431   7.0690   15.081   7.0794 0.3495674 10.00441 
1 1 1   23   21    0 o   9.9454   6.8965  -1.5105   3.7355  -1.5105   3.7355  -1.5105   3.7355   9.9454   6.8965   9.9454   6.8965 0.000000 0.000000 
1 1 1   23   21    1 o   12.386   5.7223  -0.4865   2.6074  -2.2387   3.7021   1.2382   3.6730   12.916   6.2137   15.546   7.0322 -2.630003 9.384090 
1 1 1   23   21    2 o   14.318   6.2570   1.1704   2.6633   0.6008   3.7650   1.7409   3.7678   15.020   6.9167   16.050   7.2030 -1.029966 9.986160 
1 1 1   23   21    3 o   13.726   6.1223   0.7240   2.6773   0.8006   3.8256   0.6505   3.7481   15.161   6.9783   14.957   6.8928 0.2038078 9.808524 
1 1 1   23   21    4 o   14.224   6.2294   1.2264   2.6525   1.2077   3.7279   1.2455   3.7750   15.304   6.9857   15.378   7.0233 -0.7401752E-01 9.905890 
1 1 1   23   21    5 o   13.194   5.9429   0.5149   2.5912  -3.7102   3.6539   4.7895   3.6753   11.767   5.7743   19.079   7.7809 -7.311892 9.689446 
1 1 1   23   21    6 o   19.077   7.1490   4.5517   2.8905   7.8350   4.5197   2.2794   3.7599   21.906   8.7356   16.000   7.1869 5.906038 11.31201 
1 1 1   23   21    7 o   11.105   5.3039  -1.4901   2.5911  -3.8448   3.7252   0.7167   3.6064   11.627   5.7301   14.336   6.6604 -2.708972 8.786055 
1 1 1   23   21    8 o   14.300   6.2706   1.6040   2.6952   3.1608   3.6986  -0.1590   3.9357   16.519   7.2907   13.890   6.6067 2.628653 9.838782 
1 1 1   23   22    0 o   20.437   10.030   7.0660   3.8223   7.0660   3.8223   7.0660   3.8223   20.437   10.030   20.437   10.030 0.000000 0.000000 
1 1 1   23   22    1 o   12.590   5.8036   0.0483   2.6602  -3.0661   3.7372   3.2472   3.7876   12.023   5.8876   16.758   7.3878 -4.734432 9.446893 
1 1 1   23   22    2 o   10.846   5.2233  -1.9104   2.6328   1.3870   3.7192  -5.2226   3.7275   14.938   6.8773   10.990   5.4707 3.947757 8.787872 
1 1 1   23   22    3 o   10.132   4.9542  -2.8863   2.6173  -0.4740   3.6867  -5.3374   3.7163   13.439   6.3927   10.900   5.4317 2.539011 8.388634 
1 1 1   23   22    4 o   11.801   5.6023  -0.9973   2.8028   0.6811   3.9479  -2.7030   3.9798   14.447   6.7948   12.439   6.0877 2.008761 9.123025 
1 1 1   24    0    0 o  107.915   3.9225   92.185   6.6228   92.185   6.6228   92.185   6.6228  107.915   3.9225  107.915   3.9225 0.000000 0.000000 
1 1 1   24    0    1 o   75.110   3.9624   45.075   4.6407   45.075   4.6407   45.075   4.6407   75.110   3.9624   75.110   3.9624 0.000000 0.000000 
1 1 1   24    0    2 o   99.182   2.9294   77.816   4.5505   77.816   4.5505   77.816   4.5505   99.182   2.9294   99.182   2.9294 0.000000 0.000000 
1 1 1   24    0    3 o   65.746   3.7833   34.570   3.8737   34.570   3.8737   34.570   3.8737   65.746   3.7833   65.746   3.7833 0.000000 0.000000 
1 1 1   24    0    4 o   15.108   8.7393   2.4374   3.3622   2.4374   3.3622   2.4374   3.3622   15.108   8.7393   15.108   8.7393 0.000000 0.000000 
1 1 1   24    0    5 o  101.365   2.9000   81.294   4.6046   81.294   4.6046   81.294   4.6046  101.365   2.9000  101.365   2.9000 0.000000 0.000000 
1 1 1   24    0    6 o  101.385   2.8765   81.332   4.5683   81.332   4.5683   81.332   4.5683  101.385   2.8765  101.385   2.8765 0.000000 0.000000 
1 1 1   24    0    7 o  120.145   2.6890  114.053   5.0642  114.053   5.0642  114.053   5.0642  120.145   2.6890  120.145   2.6890 0.000000 0.000000 
1 1 1   24    0    8 o  113.878   2.7745  102.564   4.9517  102.564   4.9517  102.564   4.9517  113.878   2.7745  113.878   2.7745 0.000000 0.000000 
1 1 1   24    0    9 f   53.138   5.1234   23.251   4.1752   23.251   4.1752   23.251   4.1752   53.138   5.1234   53.138   5.1234 0.000000 0.000000 
1 1 1   24    0   10 o   13.998   9.1801  -0.0696   5.0422  -0.0696   5.0422  -0.0696   5.0422   13.998   9.1801   13.998   9.1801 0.000000 0.000000 
1 1 1   24    0   11 o  118.045   3.1831  110.725   5.8869  110.725   5.8869  110.725   5.8869  118.045   3.1831  118.045   3.1831 0.000000 0.000000 
1 1 1   24    0   12 o   18.714   9.8894   4.5388   3.8815   4.5388   3.8815   4.5388   3.8815   18.714   9.8894   18.714   9.8894 0.000000 0.000000 
1 1 1   24    0   13 o   25.128   10.178   7.5806   3.9251   7.5806   3.9251   7.5806   3.9251   25.128   10.178   25.128   10.178 0.000000 0.000000 
1 1 1   24    0   14 o   22.268   10.348   6.4994   4.0089   6.4994   4.0089   6.4994   4.0089   22.268   10.348   22.268   10.348 0.000000 0.000000 
1 1 1   24    0   15 o   17.887   9.6959   4.3764   3.8167   4.3764   3.8167   4.3764   3.8167   17.887   9.6959   17.887   9.6959 0.000000 0.000000 
1 1 1   24    0   16 o   19.736   9.8535   5.3773   3.7166   5.3773   3.7166   5.3773   3.7166   19.736   9.8535   19.736   9.8535 0.000000 0.000000 
1 1 1   24    0   17 o   21.648   9.8346   6.2395   3.6122   6.2395   3.6122   6.2395   3.6122   21.648   9.8346   21.648   9.8346 0.000000 0.000000 
1 1 1   24    0   18 o   35.932   8.0743   12.716   3.9738   12.716   3.9738   12.716   3.9738   35.932   8.0743   35.932   8.0743 0.000000 0.000000 
1 1 1   24    0   19 o   9.1360   6.4515  -3.3582   3.7281  -3.3582   3.7281  -3.3582   3.7281   9.1360   6.4515   9.1360   6.4515 0.000000 0.000000 
1 1 1   24    0   20 o   23.943   10.121   7.9797   3.8424   7.9797   3.8424   7.9797   3.8424   23.943   10.121   23.943   10.121 0.000000 0.000000 
1 1 1   24    0   21 f   9.6215   6.6189  -1.0464   3.2766  -1.0464   3.2766  -1.0464   3.2766   9.6215   6.6189   9.6215   6.6189 0.000000 0.000000 
1 1 1   24    1    0 o   87.972   3.0733   61.312   4.2310   61.312   4.2310   61.312   4.2310   87.972   3.0733   87.972   3.0733 0.000000 0.000000 
1 1 1   24    1    1 o   60.625   2.8219   29.195   2.6773   30.105   3.8018   28.300   3.7710   61.199   3.9801   59.294   4.0775 1.905445 5.698020 
1 1 1   24    1    2 o  119.206   1.9209  112.036   3.5935  112.997   5.0758  111.072   5.0880  119.434   2.7082  118.399   2.7384 1.034477 3.851340 
1 1 1   24    1    3 o   78.148   2.3730   48.322   2.9068   53.340   4.1550   43.511   4.0682   81.818   3.2425   73.779   3.5239 8.038475 4.788654 
1 1 1   24    1    4 o   32.367   5.0654   8.6878   2.4886   4.0925   3.4835   13.478   3.5564   22.697   7.9373   40.174   5.8095 -17.47777 9.836202 
1 1 1   24    1    5 o   97.018   2.1059   74.316   3.2062   73.845   4.5344   74.788   4.5342   96.356   3.0024   96.978   2.9829 -0.6227036 4.232235 
1 1 1   24    1    6 o   99.466   2.0988   78.128   3.2760   79.636   4.6391   76.629   4.6270  100.065   2.9574   98.133   3.0081 1.931686 4.218405 
1 1 1   24    1    7 o   63.731   2.7177   32.285   2.7118   31.640   3.8408   32.926   3.8293   62.655   3.9260   63.959   3.8328 -1.304157 5.486688 
1 1 1   24    1    8 o   85.682   2.2504   58.115   3.0233   58.493   4.2919   57.743   4.2595   85.578   3.2014   85.028   3.1979 0.5498962 4.525001 
1 1 1   24    1    9 o   20.500   6.9486   3.4398   2.6627  -0.8693   3.6671   8.2452   3.8726   15.998   7.1483   30.199   8.0324 -14.20169 10.75255 
1 1 1   24    1   10 o   99.657   3.0780   79.395   4.8081   84.666   6.7918   74.099   6.8074  102.070   4.2495   95.221   4.5689 6.848557 6.239619 
1 1 1   24    1   11 o   35.883   5.2616   10.870   2.8749   11.335   4.0510   10.398   4.0807   35.457   7.5142   33.729   7.8562 1.727592 10.87123 
1 1 1   24    1   12 o   64.264   3.1913   33.281   3.2083   36.725   4.6163   30.063   4.4622   66.714   4.4345   60.104   4.7699 6.609974 6.512857 
1 1 1   24    1   13 o   28.369   6.5144   7.2913   2.8389   12.512   4.0920   2.4463   3.9420   36.812   7.3409   19.721   8.0524 17.09075 10.89634 
1 1 1   24    1   14 o   44.228   4.2407   16.354   2.9074   13.556   4.1095   19.159   4.1137   38.213   7.1147   46.780   5.7226 -8.567375 9.130504 
1 1 1   24    1   15 o   16.696   6.6652   1.8608   2.6341   9.8399   3.7567  -5.8564   3.6945   31.708   7.6404   11.880   5.8248 19.82843 9.607477 
1 1 1   24    1   16 o   35.566   5.0155   11.073   2.7217   12.534   4.0390   9.8566   3.6837   35.815   7.4301   31.528   7.5458 4.286211 10.58991 
1 1 1   24    1   17 o   20.083   7.0313   3.8203   2.7341   3.0040   3.8896   4.6175   3.8439   19.420   7.9719   21.657   8.2159 -2.237530 11.44782 
1 1 1   24    1   18 o   14.038   6.3435  -0.3423   2.9798  -2.4923   3.7994   3.0938   4.8031   13.821   6.5499   19.966   8.5629 -6.144937 10.78072 
1 1 1   24    1   19 o   15.805   6.4899   1.7616   2.5787  -2.4562   3.6161   6.1261   3.6785   13.265   6.3159   23.315   8.1563 -10.05058 10.31575 
1 1 1   24    1   20 o   19.438   6.8377   4.0571   2.5876   4.2124   3.5225   3.8750   3.8137   19.413   7.7217   18.961   7.8496 0.4522610 11.01091 
1 1 1   24    1   21 o   19.374   6.4539   4.1144   2.2977   1.5079   3.2122   6.8454   3.2881   15.304   6.7726   23.425   7.7175 -8.121096 10.26783 
1 1 1   24    2    0 o   50.089   5.0875   20.602   3.8967   20.602   3.8967   20.602   3.8967   50.089   5.0875   50.089   5.0875 0.000000 0.000000 
1 1 1   24    2    1 o  102.743   1.9920   83.259   3.2119   82.415   4.5273   84.113   4.5574  101.915   2.8334  102.965   2.8232 -1.049637 3.999815 
1 1 1   24    2    2 o  101.202   2.0651   80.817   3.2797   81.373   4.6128   80.248   4.6641  101.232   2.9067  100.507   2.9603 0.7244568 4.148749 
1 1 1   24    2    3 o  107.859   2.0109   91.781   3.4037   90.053   4.8289   93.488   4.7983  106.493   2.8922  108.538   2.8194 -2.045349 4.039059 
1 1 1   24    2    4 o  120.673   1.9570  114.866   3.7060  121.174   5.3236  108.934   5.1624  123.628   2.7440  117.189   2.8071 6.438507 3.925453 
1 1 1   24    2    5 o   49.039   3.3993   19.267   2.5998   16.969   3.6673   21.588   3.6860   45.357   5.2490   51.492   4.6102 -6.135033 6.986148 
1 1 1   24    2    6 o   90.062   2.2326   64.112   3.1555   57.611   4.4299   70.809   4.4959   84.933   3.3300   94.308   3.0418 -9.374809 4.510192 
1 1 1   24    2    7 o  111.539   1.9918   98.217   3.4864   98.955   4.9518   97.491   4.9096  111.577   2.8303  110.750   2.8272 0.8272629 4.000435 
1 1 1   24    2    8 o   11.982   5.5112  -1.5454   2.3805   0.6750   3.3509  -3.8080   3.3825   17.101   7.2367   12.851   6.1159 4.250127 9.474870 
1 1 1   24    2    9 o  110.948   2.1085   97.350   3.6711   96.865   5.0067   97.913   5.3989  110.253   2.8962  110.719   3.1103 -0.4654388 4.249965 
1 1 1   24    2   10 o   45.408   4.2950   16.882   3.0242   19.136   3.9699   13.767   4.6680   47.822   5.3832   39.109   7.8786 8.713390 9.542058 
1 1 1   24    2   11 o   88.425   2.5496   62.251   3.5343   71.290   5.2363   54.687   4.7900   93.997   3.5562   82.202   3.7228 11.79555 5.148390 
1 1 1   24    2   12 o   21.839   7.0964   4.2186   2.7845   2.2204   3.9145   6.2653   3.9616   19.601   8.0163   25.863   8.4686 -6.261787 11.66096 
1 1 1   24    2   13 o   56.546   3.5312   26.074   3.1179   29.106   4.4309   23.100   4.3880   58.802   4.8447   51.867   5.4735 6.934845 7.309558 
1 1 1   24    2   14 o   22.756   7.0983   4.8432   2.8092   5.3525   3.9380   4.3156   4.0086   23.657   8.4245   22.064   8.3855 1.593115 11.88648 
1 1 1   24    2   15 o   44.482   4.2211   16.659   2.9113   14.108   4.1179   19.208   4.1164   38.703   7.0392   46.493   5.7654 -7.789928 9.098940 
1 1 1   24    2   16 o   22.481   6.8004   4.8627   2.6030   8.5949   3.8965   1.8546   3.4981   28.739   8.2235   17.698   7.4363 11.04161 11.08713 
1 1 1   24    2   17 o   54.648   3.5490   24.810   3.0272   23.588   4.2962   26.015   4.2660   51.468   5.3994   54.466   5.0485 -2.997452 7.391978 
1 1 1   24    2   18 o   21.717   7.9293   4.8398   3.5150   6.4666   4.6673   2.7079   5.3429   23.926   9.0585   19.943   8.7839 3.982986 12.61795 
1 1 1   24    2   19 o   11.747   5.6192  -2.5784   2.9322  -2.9973   4.1784  -2.1719   4.1158   13.871   6.6543   14.288   6.7844 -0.4169073 9.503006 
1 1 1   24    2   20 o   15.485   6.4495   1.8602   2.5967   0.9488   3.5098   2.9625   3.8597   15.408   6.9304   17.828   7.6614 -2.419781 10.33092 
1 1 1   24    2   21 o   17.395   6.3916   3.2118   2.2895  -1.0594   3.1702   7.8683   3.3101   12.820   6.0475   25.341   7.6691 -12.52143 9.766685 
1 1 1   24    3    0 o   97.731   2.9387   75.577   4.4979   75.577   4.4979   75.577   4.4979   97.731   2.9387   97.731   2.9387 0.000000 0.000000 
1 1 1   24    3    1 o   14.754   6.1468   0.5582   2.3598   4.1865   3.3592  -2.9767   3.3157   22.779   7.8030   13.390   6.2751 9.388608 10.01314 
1 1 1   24    3    2 o   55.872   3.0194   24.865   2.6376   25.538   3.7175   24.184   3.7429   56.221   4.2449   54.643   4.4020 1.577805 6.115255 
1 1 1   24    3    3 o  122.038   1.8964  117.439   3.6318  121.469   5.1722  113.520   5.1008  123.819   2.6618  119.675   2.7160 4.144096 3.802902 
1 1 1   24    3    4 o   54.305   3.2786   23.572   2.7811   27.908   3.8094   18.624   4.0696   58.790   4.1558   47.408   5.5765 11.38196 6.954707 
1 1 1   24    3    5 o   99.233   2.1358   77.777   3.3261   77.094   4.6760   78.477   4.7321   98.425   3.0309   99.300   3.0402 -0.8750763 4.292981 
1 1 1   24    3    6 o   66.900   2.7040   35.559   2.8329   33.804   4.0164   37.297   3.9964   64.761   3.9712   68.130   3.7523 -3.369675 5.463518 
1 1 1   24    3    7 o   34.119   4.8483   9.6371   2.5230   6.1911   3.5560   13.130   3.5801   26.493   7.9337   39.448   5.9696 -12.95504 9.928692 
1 1 1   24    3    8 o  114.472   1.9815  103.500   3.5596  104.601   5.0281  102.394   5.0401  114.708   2.7932  113.472   2.8304 1.236542 3.976567 
1 1 1   24    3    9 o   48.119   3.5036   18.663   2.6275   18.967   3.7048   18.356   3.7269   47.864   5.0062   47.018   5.1345 0.8469009 7.171121 
1 1 1   24    3   10 o   90.974   2.5684   65.835   3.6632   65.178   4.7148   66.837   5.8186   90.097   3.3405   90.719   4.0976 -0.6228409 5.286705 
1 1 1   24    3   11 o   50.715   3.5853   20.846   2.8350   20.207   3.9698   21.510   4.0500   49.062   5.2369   50.677   5.1647 -1.615250 7.355226 
1 1 1   24    3   12 o   25.979   6.4788   6.0726   2.6322   6.5755   3.6617   5.5349   3.7864   26.418   8.0806   24.502   8.2862 1.915993 11.57401 
1 1 1   24    3   13 o   49.113   3.7059   19.786   2.8352   17.035   3.9647   22.664   4.0559   44.151   5.8673   51.640   5.0702 -7.488728 7.754445 
1 1 1   24    3   14 f   24.503   6.7978   5.6289   2.7055   8.3188   3.9297   3.2049   3.7305   28.838   8.2606   20.184   7.9724 8.653526 11.48026 
1 1 1   24    3   15 o   26.915   6.5464   6.8104   2.7381   7.7831   3.9141   5.8780   3.8319   27.487   8.3439   24.144   8.3316 3.343349 11.79135 
1 1 1   24    3   16 o   35.406   5.4588   11.200   2.9357   8.3437   4.2484   13.810   4.0613   27.786   8.7382   37.906   7.0879 -10.12000 11.25143 
1 1 1   24    3   17 o   24.486   7.0626   5.9585   2.8632   4.3460   4.0623   7.5503   4.0360   21.262   8.3434   26.341   8.5424 -5.079191 11.94091 
1 1 1   24    3   18 o   21.804   8.6069   4.9315   4.3456   9.9994   6.8273   1.4797   5.6344   26.950   10.740   19.113   8.6712 7.836994 13.80344 
1 1 1   24    3   19 o   11.853   5.5388  -1.3362   2.5527  -6.9433   3.6167   4.2299   3.6035   10.787   5.3729   20.085   7.8651 -9.298139 9.525083 
1 1 1   24    3   20 o   24.708   6.5723   6.4893   2.5925   6.1034   3.6941   6.8639   3.6393   22.061   8.1166   23.413   8.1176 -1.352329 11.47930 
1 1 1   24    4    0 o   10.246   6.9388  -1.4667   3.3087  -1.4667   3.3087  -1.4667   3.3087   10.246   6.9388   10.246   6.9388 0.000000 0.000000 
1 1 1   24    4    1 o   24.759   6.1859   5.2516   2.3964   2.6548   3.3536   7.9612   3.4257   20.097   7.6622   30.204   7.3074 -10.10738 10.58807 
1 1 1   24    4    2 o   92.975   2.1753   68.275   3.1739   66.881   4.5039   69.651   4.4733   91.647   3.1362   93.564   3.0506 -1.917107 4.375183 
1 1 1   24    4    3 o   49.441   3.3830   19.577   2.6090   21.105   3.6906   18.051   3.6888   50.888   4.6735   46.864   5.0978 4.023922 6.915876 
1 1 1   24    4    4 o  134.954   1.9989  143.730   4.2333  142.128   5.6027  145.863   6.4625  133.900   2.6663  135.442   3.0405 -1.541275 4.043962 
1 1 1   24    4    5 o   61.497   2.9271   30.118   2.8168   27.326   3.8527   33.324   4.1287   58.093   4.2556   64.242   4.1169 -6.149658 5.921091 
1 1 1   24    4    6 o   77.322   2.4557   47.396   2.9760   45.409   4.1551   49.488   4.2644   75.274   3.5273   78.617   3.4650 -3.343231 4.944433 
1 1 1   24    4    7 o   59.329   2.9816   28.086   2.7672   32.590   3.9469   23.732   3.8807   63.519   3.9795   53.885   4.6342 9.634277 6.108344 
1 1 1   24    4    8 o   41.564   4.0937   14.073   2.6355   15.156   3.6155   12.846   3.8499   42.521   5.5506   38.601   6.5919 3.919567 8.617605 
1 1 1   24    4    9 o   57.431   3.0329   26.395   2.7238   28.666   3.8487   24.115   3.8552   59.360   4.1579   54.219   4.5736 5.141495 6.181068 
1 1 1   24    4   10 o   17.622   6.5833   2.2033   2.4472   5.5158   3.4252  -1.2514   3.4978   24.834   7.8508   15.131   6.8516 9.702974 10.42016 
1 1 1   24    4   11 o   43.054   4.0943   15.226   2.7331   14.513   3.7076   16.075   4.0447   41.058   5.9254   43.099   6.1547 -2.040958 8.543455 
1 1 1   24    4   12 o   17.456   6.6737   2.1645   2.5486   2.3092   3.5780   2.0154   3.6313   19.141   7.7242   18.814   7.7107 0.3271408 10.91416 
1 1 1   24    4   13 f   19.043   6.8838   3.0196   2.6402   0.9853   3.7051   5.1183   3.7633   17.459   7.5047   23.409   8.2450 -5.950733 11.14901 
1 1 1   24    4   14 o   21.453   6.8706   4.2717   2.6163   0.8540   3.6554   7.8612   3.7462   17.027   7.3869   28.069   8.0733 -11.04160 10.94279 
1 1 1   24    4   15 o   9.5350   4.7218  -5.3490   2.6401  -5.7859   3.7157  -4.9035   3.7518   11.910   5.8398   12.458   6.0557 -0.5482998 8.412774 
1 1 1   24    4   16 o   40.978   4.5684   14.459   2.8879   15.091   4.0762   13.823   4.0920   39.935   6.7440   37.784   7.1632 2.151188 9.838334 
1 1 1   24    4   17 o   52.995   4.0378   23.757   3.3327   27.141   5.2327   21.448   4.3230   54.028   6.2890   48.563   5.7861 5.464798 8.545844 
1 1 1   24    4   18 o   18.232   7.0645   2.9420   2.8831   0.5537   4.7646   4.3217   3.6213   17.449   7.9387   20.741   7.9487 -3.292179 11.23411 
1 1 1   24    4   19 o   12.857   5.8812  -0.5057   2.6607   0.6754   3.7337  -1.7246   3.7927   15.786   7.1201   13.909   6.5774 1.877495 9.693147 
1 1 1   24    4   20 o   17.512   6.5679   3.1684   2.4407   3.2353   3.4380   3.1005   3.4656   17.786   7.4155   17.620   7.4026 0.1656837 10.47798 
1 1 1   24    5    0 o   20.725   9.5584   5.1770   3.4170   5.1770   3.4170   5.1770   3.4170   20.725   9.5584   20.725   9.5584 0.000000 0.000000 
1 1 1   24    5    1 o   46.301   3.6130   17.232   2.6044   15.489   3.6269   19.088   3.7422   43.220   5.4698   48.232   5.0173 -5.012760 7.422389 
1 1 1   24    5    2 o   20.794   6.5344   3.6042   2.3761   3.5266   3.3740   3.6806   3.3470   21.546   7.7827   21.787   7.7657 -0.2410126 10.99440 
1 1 1   24    5    3 o  113.404   1.9652  101.480   3.4975   98.701   4.9088  104.344   4.9843  111.482   2.8081  114.677   2.7696 -3.195099 3.944143 
1 1 1   24    5    4 o   59.579   3.4644   28.441   3.2251   34.305   4.5976   22.761   4.5252   64.986   4.5367   52.396   5.5896 12.58983 7.199008 
1 1 1   24    5    5 o   53.472   3.4051   22.924   2.8425   23.578   3.7911   22.084   4.2958   53.798   4.5325   51.671   5.3762 2.126862 7.031901 
1 1 1   24    5    6 o   84.316   2.3141   56.304   3.0590   54.733   4.3107   57.897   4.3416   82.722   3.3274   85.117   3.2563 -2.395126 4.655663 
1 1 1   24    5    7 o  142.063   1.8341  159.266   4.0890  156.782   5.7258  161.852   5.8414  140.549   2.5960  142.796   2.6067 -2.247604 3.678868 
1 1 1   24    5    8 o   18.092   6.6378   2.3847   2.4678   6.0593   3.5168  -1.1803   3.4639   26.048   7.9095   15.202   6.8571 10.84600 10.46811 
1 1 1   24    5    9 o   88.744   2.2388   62.439   3.1154   61.733   4.3894   63.156   4.4225   87.775   3.1920   88.789   3.1791 -1.014046 4.505029 
1 1 1   24    5   10 o   25.935   6.1480   5.9083   2.4639   7.0767   3.4316   4.6650   3.5398   27.833   7.6303   23.203   8.0077 4.630051 11.06091 
1 1 1   24    5   11 o   45.683   3.7024   17.029   2.6315   18.601   3.6824   15.388   3.7621   46.995   5.0734   42.249   5.8294 4.745945 7.727950 
1 1 1   24    5   12 o   56.966   3.1330   26.242   2.7900   21.988   3.7500   31.515   4.1754   51.169   4.7233   61.622   4.3456 -10.45261 6.418271 
1 1 1   24    5   13 o   28.063   6.0870   7.1117   2.6034   4.4595   3.6497   9.8595   3.7148   22.161   8.0815   32.176   7.4966 -10.01526 11.02316 
1 1 1   24    5   14 o   18.151   6.9104   2.6287   2.7253   7.6838   3.7975  -2.7399   3.9135   27.555   8.1859   14.234   6.7160 13.32106 10.58837 
1 1 1   24    5   15 o   34.614   5.3298   10.621   2.8024   11.794   3.9438   9.4236   3.9827   34.702   7.4638   30.227   8.1930 4.474884 11.08298 
1 1 1   24    5   16 o   23.845   7.4709   5.7370   3.1083   7.8324   4.4329   3.7101   4.3597   26.549   8.9657   20.651   8.4545 5.897350 12.32324 
1 1 1   24    5   17 o   14.423   6.3129   0.4205   2.7205  -5.5409   3.7758   6.8557   3.9230   11.990   5.8809   25.069   8.4343 -13.07906 10.28215 
1 1 1   24    5   18 o   17.750   6.8591   2.7829   2.7123   3.2710   3.7759   2.2626   3.8987   19.173   7.8607   18.036   7.7246 1.136148 11.02093 
1 1 1   24    5   19 o   16.831   6.6409   2.5799   2.5860   5.2534   3.8562   0.3949   3.4862   21.130   8.1750   15.049   6.8247 6.081597 10.64925 
1 1 1   24    5   20 o   12.959   5.7445   0.4771   2.3205  -2.0296   3.2280   3.1579   3.3381   12.285   5.8816   17.511   7.3045 -5.226292 9.378102 
1 1 1   24    6    0 o   16.394   8.9594   3.1964   3.2858   3.1964   3.2858   3.1964   3.2858   16.394   8.9594   16.394   8.9594 0.000000 0.000000 
1 1 1   24    6    1 o   20.519   6.6451   3.4726   2.4428   6.6766   3.4728   0.3348   3.4368   27.528   7.7255   16.934   7.2524 10.59444 10.59625 
1 1 1   24    6    2 o   35.067   4.7374   10.132   2.5405   8.2634   3.5581   12.076   3.6284   30.635   7.4694   37.680   6.3625 -7.045219 9.811936 
1 1 1   24    6    3 o   45.774   3.6771   16.879   2.6192   11.516   3.6576   22.524   3.7525   36.656   6.6011   52.559   4.5957 -15.90297 8.043317 
1 1 1   24    6    4 o   24.516   6.6540   5.2132   2.6249   5.8476   3.9150   4.6952   3.5380   25.923   8.4139   23.680   8.0097 2.242773 11.61676 
1 1 1   24    6    5 o   47.385   4.0512   18.206   2.9836   14.430   4.1843   22.111   4.2556   40.985   6.7396   51.678   5.3235 -10.69303 8.588478 
1 1 1   24    6    6 o   66.818   2.7452   35.538   2.8724   36.445   4.0367   34.608   4.0883   67.213   3.8431   65.416   4.0016 1.797234 5.548171 
1 1 1   24    6    7 o   25.469   6.2423   5.6457   2.4753   4.6202   3.4941   6.6788   3.5071   23.347   7.9591   27.277   7.8006 -3.930086 11.14438 
1 1 1   24    6    8 o  104.683   2.0634   86.687   3.3897   87.561   4.7951   85.814   4.7924  104.748   2.9199  103.680   2.9484 1.068161 4.149608 
1 1 1   24    6    9 o   61.134   2.9215   29.908   2.7947   28.251   3.9234   31.615   3.9820   58.759   4.2843   62.282   4.0969 -3.522915 5.927855 
1 1 1   24    6   10 o   99.390   2.1401   78.334   3.3380   74.523   4.6468   82.397   4.7981   96.357   3.0769  101.367   3.0196 -5.009262 4.311128 
1 1 1   24    6   11 o   52.220   3.3343   22.112   2.7182   19.605   3.7940   24.755   3.8963   48.133   5.1003   54.492   4.5991 -6.359566 6.867708 
1 1 1   24    6   12 o   59.888   3.1417   29.047   2.9423   28.313   4.0893   29.834   4.2366   58.175   4.5145   59.689   4.5574 -1.514168 6.414875 
1 1 1   24    6   13 o   19.799   6.8470   3.4856   2.5885   6.1913   3.6671   0.7986   3.6543   25.046   8.1442   16.995   7.3794 8.050343 10.99009 
1 1 1   24    6   14 o   15.999   6.5277   1.5109   2.5881   0.7047   3.6337   2.3409   3.6871   16.677   7.2977   18.701   7.7279 -2.024324 10.62907 
1 1 1   24    6   15 o   21.444   7.2613   4.4483   2.9077   7.2896   3.8813   0.8139   4.3897   26.286   8.3630   17.700   7.8705 8.585279 11.48416 
1 1 1   24    6   16 o   23.898   6.9118   5.6302   2.7387   9.2531   3.8887   2.0648   3.8578   29.656   8.1194   18.187   7.7334 11.46906 11.21295 
1 1 1   24    6   17 o   20.345   6.9993   4.0522   2.7037   7.3701   3.8025   0.6598   3.8450   25.964   8.2796   16.486   7.3460 9.478260 11.06872 
1 1 1   24    6   18 o   43.013   4.3655   16.153   2.9060   16.839   4.1165   15.472   4.1029   41.519   6.5335   39.352   6.8950 2.167500 9.498790 
1 1 1   24    6   19 o   24.135   6.5191   6.1215   2.5268   4.7780   3.5725   7.4665   3.5744   20.249   7.8591   24.818   8.0384 -4.568869 11.24192 
1 1 1   24    6   20 o   13.378   5.8763   0.7787   2.3763   0.6490   3.4519   0.8956   3.2760   14.685   6.7104   14.720   6.6515 -0.3501511E-01 9.448333 
1 1 1   24    7    0 o   54.762   4.4400   24.341   3.7561   24.341   3.7561   24.341   3.7561   54.762   4.4400   54.762   4.4400 0.000000 0.000000 
1 1 1   24    7    1 o   52.645   3.2575   22.186   2.6780   23.085   3.8020   21.302   3.7728   53.190   4.6000   51.008   4.7684 2.181915 6.625571 
1 1 1   24    7    2 o   39.713   4.1044   12.827   2.5211   13.139   3.5882   12.522   3.5431   39.454   5.9827   38.460   6.0716 0.9938278 8.523891 
1 1 1   24    7    3 o   25.192   6.3267   5.4945   2.4975   3.6230   3.5130   7.4067   3.5511   21.753   7.9294   28.858   7.6992 -7.104225 11.05231 
1 1 1   24    7    4 o   15.949   6.4802   1.0951   2.5380   5.6479   3.7553  -2.7333   3.4436   25.440   8.2391   13.822   6.4504 11.61810 10.46378 
1 1 1   24    7    5 o   25.906   6.8639   5.8948   2.8347   5.6404   4.1355   6.1203   3.8932   25.502   8.6594   26.264   8.3780 -0.7620468 12.04893 
1 1 1   24    7    6 o   53.814   3.1897   23.219   2.6816   27.721   3.8291   18.885   3.7568   58.370   4.2084   47.717   5.0957 10.65352 6.608849 
1 1 1   24    7    7 o   45.713   3.7186   16.931   2.6446   16.067   3.7613   17.774   3.7192   43.664   5.6192   46.161   5.2259 -2.496365 7.673739 
1 1 1   24    7    8 o   45.868   3.6827   17.064   2.6286   18.131   3.7153   15.995   3.7195   46.578   5.1698   43.505   5.5761 3.072948 7.603887 
1 1 1   24    7    9 o  109.277   2.0628   94.594   3.5374   95.667   5.0409   93.553   4.9653  109.326   2.9409  108.119   2.9291 1.206955 4.150696 
1 1 1   24    7   10 o   47.641   3.7938   18.566   2.8129   24.597   4.2460   13.849   3.7553   54.055   5.0643   39.754   6.2233 14.30036 8.023556 
1 1 1   24    7   11 o   38.814   4.5776   12.672   2.7347   14.328   3.8792   11.035   3.8558   40.127   6.3730   34.450   7.3559 5.676765 9.732616 
1 1 1   24    7   12 f   41.971   4.2627   14.752   2.7687   18.540   3.9467   11.081   3.8851   46.131   5.5640   34.190   7.4519 11.94104 9.299924 
1 1 1   24    7   13 o   31.914   6.1392   9.2707   2.9631   11.689   4.2322   6.9454   4.1498   34.353   8.0002   25.972   8.6738 8.380543 11.79998 
1 1 1   24    7   14 o   15.653   6.4557   1.3577   2.5664   0.0984   3.6384   2.6046   3.6205   15.963   7.1273   18.865   7.7116 -2.902374 10.50080 
1 1 1   24    7   15 o   23.176   6.7147   5.2110   2.5827   5.3566   3.7485   5.0795   3.5635   22.864   8.2104   22.425   8.0108 0.4390240 11.47101 
1 1 1   24    7   16 o   20.519   6.8105   4.0751   2.5592   4.7116   3.6141   3.4349   3.6243   21.625   8.0154   19.679   7.8307 1.946287 11.20569 
1 1 1   24    7   17 o   11.719   5.4524  -1.3165   2.4306   1.4805   3.3220  -4.5393   3.5659   16.564   7.1129   11.996   5.8474 4.568316 9.207913 
1 1 1   24    7   18 o   19.816   6.7182   4.0317   2.4891   3.2448   3.5065   4.8309   3.5339   18.529   7.5835   20.878   7.8873 -2.349081 10.94161 
1 1 1   24    7   19 o   12.164   5.5850  -0.4485   2.4299   3.4246   3.4477  -4.2712   3.4251   18.077   7.4716   11.378   5.5850 6.698400 9.328298 
1 1 1   24    8    0 o   24.569   9.5335   6.7968   3.4963   6.7968   3.4963   6.7968   3.4963   24.569   9.5335   24.569   9.5335 0.000000 0.000000 
1 1 1   24    8    1 o   86.438   2.2837   59.176   3.0951   58.205   4.3805   60.143   4.3738   85.307   3.2783   86.747   3.2185 -1.440437 4.594091 
1 1 1   24    8    2 o   21.403   6.5452   3.9063   2.4025   8.6213   3.4452  -0.5573   3.3521   31.271   7.1734   15.634   6.9185 15.63709 9.966125 
1 1 1   24    8    3 o   77.324   2.4727   47.457   2.9966   47.272   4.2443   47.641   4.2314   76.717   3.5349   77.029   3.5097 -0.3122864 4.981324 
1 1 1   24    8    4 o   21.526   6.6283   3.9694   2.4586   3.5321   3.4696   4.4105   3.4845   21.435   7.8695   22.972   7.9441 -1.537390 11.18206 
1 1 1   24    8    5 o   54.841   3.3884   24.187   2.9019   24.102   4.4863   24.248   3.8051   53.767   5.3895   54.414   4.4961 -0.6467819 7.018625 
1 1 1   24    8    6 o   26.742   6.2025   6.2407   2.5524   9.8040   3.6172   2.7070   3.6021   33.222   7.1501   20.192   7.8762 13.02942 10.63757 
1 1 1   24    8    7 o   66.419   2.7086   35.192   2.8173   36.348   4.0330   34.091   3.9371   66.945   3.8552   64.809   3.8890 2.136177 5.476036 
1 1 1   24    8    8 o   28.104   5.8924   6.8817   2.5156   7.3801   3.5953   6.4035   3.5212   28.281   7.8325   26.402   7.8920 1.879152 11.11901 
1 1 1   24    8    9 o  106.997   2.2280   90.950   3.7411   85.432   5.2536   96.626   5.3286  102.937   3.2563  109.615   3.1008 -6.678314 4.496490 
1 1 1   24    8   10 o   27.156   6.4045   6.6668   2.6847   3.9661   3.7835   9.4056   3.8101   21.719   8.1707   31.513   7.7573 -9.794153 11.26662 
1 1 1   24    8   11 o   14.985   6.4787   0.3825   2.7925   1.9204   4.0338  -1.0326   3.8696   18.994   7.9835   15.683   7.1428 3.311172 10.71244 
1 1 1   24    8   12 o   51.442   3.5365   21.755   2.8376   26.858   4.1053   17.088   3.9265   56.237   4.6946   43.883   5.8470 12.35396 7.498453 
1 1 1   24    8   13 o   17.265   6.7018   2.2664   2.5981   4.5860   3.6298  -0.1705   3.7204   21.917   8.0487   15.898   7.1443 6.019081 10.76208 
1 1 1   24    8   14 o   38.773   4.5108   12.922   2.6935   16.361   3.8457   9.6095   3.7737   42.416   5.9402   30.763   7.8056 11.65307 9.808789 
1 1 1   24    8   15 o   13.459   5.8977   0.1964   2.3807  -4.1491   3.2903   4.9711   3.4490   11.746   5.7006   22.143   7.8842 -10.39773 9.729183 
1 1 1   24    8   16 o   24.294   6.2462   5.6792   2.3945   9.1592   3.3713   2.1364   3.4016   30.169   7.2177   17.599   7.3598 12.56954 10.30835 
1 1 1   24    8   17 o   20.187   6.5912   4.0577   2.4007   4.4744   3.3961   3.6414   3.3939   20.718   7.7522   19.398   7.6219 1.319851 10.87154 
1 1 1   24    8   18 o   9.9540   4.8061  -2.5457   2.2632  -4.3878   3.1618  -0.6100   3.2410   10.913   5.3585   13.690   6.3442 -2.776819 8.304317 
1 1 1   24    8   19 o   23.281   6.5950   5.9438   2.5186   4.1170   3.4379   8.0601   3.7004   18.763   7.5716   24.904   8.1862 -6.140347 11.15092 
1 1 1   24    9    0 f   88.566   3.2184   62.367   4.4597   62.367   4.4597   62.367   4.4597   88.566   3.2184   88.566   3.2184 0.000000 0.000000 
1 1 1   24    9    1 o   25.421   6.3177   5.6375   2.5093   4.5744   3.5519   6.6968   3.5455   23.284   8.0220   27.286   7.8560 -4.001354 11.22805 
1 1 1   24    9    2 o  116.636   1.9731  107.509   3.6115  106.712   5.0974  108.313   5.1175  115.782   2.8054  116.653   2.7955 -0.8712997 3.960431 
1 1 1   24    9    3 o   26.846   6.1902   6.2737   2.5546   4.8985   3.6108   7.6518   3.6148   23.857   8.0916   29.090   7.7708 -5.233927 11.21870 
1 1 1   24    9    4 o   53.195   3.2600   22.738   2.7084   23.305   3.8825   22.201   3.7800   53.197   4.6989   51.918   4.6900 1.278797 6.638999 
1 1 1   24    9    5 o   34.103   5.0107   9.7551   2.6017   10.191   3.8826   9.4003   3.5051   33.622   7.5445   32.501   7.0735 1.120674 10.34182 
1 1 1   24    9    6 o   46.034   3.8438   17.255   2.7515   20.032   3.7457   14.000   4.0550   49.071   4.9310   39.989   6.6982 9.081123 8.317499 
1 1 1   24    9    7 o   41.460   4.3238   14.192   2.7719   16.426   3.9177   11.954   3.9224   43.786   5.8475   36.539   7.0964 7.247272 9.195276 
1 1 1   24    9    8 o   77.870   2.8514   48.619   3.4786   52.862   4.9535   44.492   4.8862   80.431   3.9364   73.530   4.2527 6.901176 5.794864 
1 1 1   24    9    9 o   42.185   4.6780   14.964   3.0449   21.743   4.4316   8.9016   4.1907   50.143   5.7347   30.171   8.4933 19.97261 10.24806 
1 1 1   24    9   10 o   33.862   5.4291   9.9867   2.7875   6.7956   3.9510   13.149   3.9334   26.276   8.4460   37.916   6.8632 -11.63992 10.88296 
1 1 1   24    9   11 o   11.314   5.4266  -3.2072   2.7757  -4.4796   4.1292  -2.1581   3.7492   13.611   6.5515   14.397   6.7228 -0.7864256 9.387103 
1 1 1   24    9   12 o   16.283   6.6349   1.6013   2.6697   3.0037   3.7932   0.2248   3.7581   19.701   7.9521   16.388   7.2849 3.313372 10.78451 
1 1 1   24    9   13 o   16.368   6.4519   1.9296   2.4388   1.3986   3.4410   2.4655   3.4571   17.034   7.2753   18.440   7.5364 -1.405266 10.47510 
1 1 1   24    9   14 o   15.061   6.2219   1.2596   2.3892   4.5710   3.3959  -1.9865   3.3621   21.499   7.8020   13.423   6.2995 8.075747 10.02771 
1 1 1   24    9   15 o   29.538   5.5538   7.9817   2.4799   5.4902   3.4519   10.639   3.5652   22.941   7.9081   32.774   7.1347 -9.832191 10.65087 
1 1 1   24    9   16 f   20.219   6.5329   4.0062   2.3618   2.2360   3.3101   5.8422   3.3710   17.491   7.2831   23.347   7.8180 -5.855831 10.68483 
1 1 1   24    9   17 o   9.9191   4.8078  -2.9043   2.3205  -1.1390   3.3245  -4.5815   3.2404   13.568   6.3340   11.086   5.4397 2.481863 8.349279 
1 1 1   24    9   18 o   37.975   4.2583   12.901   2.4940   15.028   3.5388   10.801   3.5155   38.852   5.9968   31.174   7.3131 7.678284 9.457441 
1 1 1   24    9   19 o   13.418   5.8562   0.9135   2.3267   2.1882   3.2868  -0.3668   3.2942   16.024   6.9776   13.506   6.3051 2.517691 9.404300 
1 1 1   24   10    0 o   27.587   9.2554   8.0902   3.5756   8.0902   3.5756   8.0902   3.5756   27.587   9.2554   27.587   9.2554 0.000000 0.000000 
1 1 1   24   10    1 o  110.597   2.0625   96.787   3.5797   94.818   5.0623   98.756   5.0626  108.944   2.9637  111.225   2.9029 -2.281288 4.148564 
1 1 1   24   10    2 o   47.309   3.5877   18.110   2.6437   17.170   3.7437   19.045   3.7339   45.221   5.3808   47.831   5.0506 -2.610916 7.379813 
1 1 1   24   10    3 o   66.520   2.8275   35.353   2.9449   37.320   4.2223   33.489   4.1095   67.758   3.9884   64.107   4.1065 3.650642 5.724572 
1 1 1   24   10    4 o   48.735   3.8801   19.341   2.9430   16.446   4.2858   21.924   4.0484   43.541   6.4685   51.250   5.1013 -7.708275 8.238005 
1 1 1   24   10    5 o   51.842   3.8128   21.879   3.0802   24.145   4.3407   19.580   4.3717   53.653   5.2213   47.815   5.9548 5.837948 7.919680 
1 1 1   24   10    6 o   60.943   3.5400   30.109   3.3710   31.991   4.6327   27.992   4.9144   62.009   4.7981   57.461   5.5176 4.547497 7.312036 
1 1 1   24   10    7 o   35.668   5.5755   10.985   3.0187   12.677   4.2536   9.2683   4.2847   37.043   7.5730   30.930   8.5446 6.112839 11.41751 
1 1 1   24   10    8 o   52.574   3.5936   22.583   2.9471   23.454   4.1716   21.714   4.1640   52.539   5.1246   50.368   5.3497 2.170944 7.408171 
1 1 1   24   10    9 o   52.302   3.7360   22.494   3.0462   22.453   4.4804   22.530   4.1541   50.745   5.7261   51.242   5.2396 -0.4970284 7.761542 
1 1 1   24   10   10 o   19.022   6.7289   3.1362   2.5086   4.7381   3.5186   1.4801   3.5777   22.445   7.9663   17.663   7.4762 4.782097 10.92500 
1 1 1   24   10   11 o   22.159   6.8970   4.6582   2.6538   9.2408   4.0711   1.2723   3.4995   30.005   8.3441   17.137   7.3285 12.86792 11.10542 
1 1 1   24   10   12 o   13.608   5.9793   0.0946   2.4619  -0.0790   3.5027   0.2641   3.4611   15.514   6.9552   15.794   7.0077 -0.2799149 9.873336 
1 1 1   24   10   13 o   18.302   6.6581   2.9780   2.4751   5.4218   3.4914   0.5091   3.5092   23.009   7.9522   16.017   7.0840 6.991276 10.64989 
1 1 1   24   10   14 o   10.475   5.0273  -2.6805   2.3909  -2.4216   3.3511  -2.9488   3.4123   13.010   6.1613   12.761   6.0926 0.2485533 8.664952 
1 1 1   24   10   15 o   13.695   5.9631   0.4232   2.4005  -1.9443   3.3674   2.8695   3.4230   13.316   6.2666   18.537   7.5280 -5.221546 9.794940 
1 1 1   24   10   16 o   19.394   6.5928   3.7343   2.3972   4.3143   3.4187   3.1733   3.3623   20.347   7.7413   18.593   7.4932 1.754202 10.77383 
1 1 1   24   10   17 o   25.062   6.2334   6.4156   2.4414   8.1364   3.4200   4.6275   3.4862   26.491   7.7418   20.093   7.7731 6.398237 10.97073 
1 1 1   24   10   18 o   17.851   6.6109   3.4489   2.4575   4.5903   3.5587   2.4085   3.3977   19.342   7.7386   16.488   7.1374 2.854721 10.52750 
1 1 1   24   11    0 o   89.456   3.8316   64.145   5.3565   64.145   5.3565   64.145   5.3565   89.456   3.8316   89.456   3.8316 0.000000 0.000000 
1 1 1   24   11    1 o   60.378   3.8342   29.645   3.6142   23.398   4.9554   36.745   5.2827   52.174   6.1716   66.369   5.1114 -14.19500 8.013405 
1 1 1   24   11    2 o   82.084   2.8737   53.918   3.6960   54.831   5.1489   52.947   5.3087   82.027   4.0121   80.444   4.2200 1.582947 5.822814 
1 1 1   24   11    3 o   48.683   4.1598   19.467   3.1476   15.937   4.3556   23.326   4.5539   42.509   6.7548   52.395   5.6265 -9.885262 8.791242 
1 1 1   24   11    4 o   19.530   7.2764   2.9450   2.9857   1.6582   4.1375   4.3432   4.3127   19.254   8.0886   22.954   8.7037 -3.700052 11.88192 
1 1 1   24   11    5 o   68.636   3.0351   37.919   3.2610   42.211   4.6347   33.711   4.5892   71.661   4.1389   63.657   4.6255 8.004436 6.206946 
1 1 1   24   11    6 o   35.285   4.9657   10.596   2.6737   8.9939   3.7487   12.255   3.8144   30.823   7.7570   36.787   6.8596 -5.963737 10.35501 
1 1 1   24   11    7 o   76.806   2.5322   47.223   3.0480   48.537   4.2772   45.868   4.3446   77.144   3.5425   74.851   3.7102 2.293045 5.129804 
1 1 1   24   11    8 o   31.093   5.5827   8.5221   2.6239   7.4755   3.7446   9.5317   3.6778   27.546   8.1148   31.592   7.5260 -4.046078 11.06755 
1 1 1   24   11    9 o   20.991   7.3363   4.0350   2.9756   7.1655   4.2079   0.9037   4.2085   26.424   8.7315   17.909   7.8448 8.514683 11.73804 
1 1 1   24   11   10 o   45.251   3.7841   17.032   2.6626   16.582   3.7350   17.496   3.7967   43.217   5.6416   44.475   5.5610 -1.257492 7.921648 
1 1 1   24   11   11 o   18.234   6.9884   2.7500   2.7993   6.2908   4.0830  -0.3906   3.8453   24.487   8.5911   15.808   7.1684 8.679327 11.18893 
1 1 1   24   11   12 o   18.875   6.6873   3.2572   2.4786   0.5811   3.5003   5.9484   3.5101   16.081   7.0952   23.958   7.9768 -7.877352 10.67572 
1 1 1   24   11   13 o   16.323   6.5046   1.9488   2.5042   4.4859   3.5507  -0.5622   3.5323   21.242   7.9310   14.906   6.8024 6.336298 10.44859 
1 1 1   24   11   14 o   32.270   5.1849   9.3748   2.5368   12.845   3.6025   5.9616   3.5729   36.611   6.5087   23.567   8.0480 13.04412 10.35058 
1 1 1   24   11   15 o   18.174   6.5883   3.1208   2.4205  -0.0370   3.3772   6.4565   3.4710   14.856   6.7292   24.200   7.9270 -9.344225 10.39807 
1 1 1   24   11   16 o   17.066   6.6115   2.7243   2.5248   0.1249   3.5475   5.3925   3.5941   14.898   6.8058   21.508   7.9892 -6.609822 10.49504 
1 1 1   24   11   17 o   12.138   5.8004  -1.9653   3.1081  -1.7624   4.6921  -2.1239   4.1490   14.577   7.0084   13.695   6.5857 0.8824205 9.617140 
1 1 1   24   11   18 o   11.899   5.5379  -0.6461   2.5107  -2.2548   3.5272   1.0061   3.5747   12.454   6.0098   14.970   6.8361 -2.516273 9.102201 
1 1 1   24   12    0 o   71.051   5.5634   41.882   6.1133   41.882   6.1133   41.882   6.1133   71.051   5.5634   71.051   5.5634 0.000000 0.000000 
1 1 1   24   12    1 o   54.239   4.3387   24.350   3.6622   21.244   5.1469   27.534   5.2121   48.768   6.9192   56.433   5.9760 -7.664375 9.142651 
1 1 1   24   12    2 o   30.656   6.6640   8.4868   3.1143   8.3311   4.4430   8.6373   4.3666   29.112   8.9004   29.695   8.7668 -0.5831909 12.49293 
1 1 1   24   12    3 o   25.549   7.1463   6.0430   2.9769   8.4261   4.4178   4.0609   4.0289   29.195   8.8650   22.082   8.4032 7.113390 12.21486 
1 1 1   24   12    4 o   32.952   5.7028   9.5025   2.8422   7.7035   4.0755   11.206   3.9658   28.036   8.5150   34.619   7.5158 -6.582983 11.35744 
1 1 1   24   12    5 o   47.753   3.9103   18.821   2.9047   17.877   4.1602   19.718   4.0573   45.065   6.0341   47.767   5.5137 -2.701660 8.173830 
1 1 1   24   12    6 o   65.638   3.0882   34.895   3.1721   39.008   4.5839   31.115   4.3941   68.433   4.2900   60.793   4.6409 7.639153 6.319989 
1 1 1   24   12    7 f   15.608   6.5608   1.0022   2.7246   1.5483   3.9083   0.4858   3.8004   18.237   7.7702   16.903   7.4279 1.334200 10.74945 
1 1 1   24   12    8 o   29.492   6.1888   7.9688   2.7728   8.0949   3.9771   7.8495   3.8679   28.124   8.3827   27.782   8.2635 0.3413429 11.77094 
1 1 1   24   12    9 o   18.969   7.2059   3.0411   2.9594   4.6378   3.9500   0.9982   4.4680   22.059   8.3376   18.128   8.0067 3.930304 11.55950 
1 1 1   24   12   10 o   17.526   6.8099   2.4264   2.6847   0.6323   3.8200   4.1775   3.7739   16.718   7.3925   21.110   8.1083 -4.392805 10.97242 
1 1 1   24   12   11 o   13.403   6.1964  -1.2622   3.0641   3.9945   4.4747  -5.9031   4.2045   21.006   8.5784   12.714   6.2296 8.292184 10.60169 
1 1 1   24   12   12 o   18.222   6.8381   2.9379   2.6465   6.6980   3.8668  -0.3754   3.6298   24.837   8.3737   15.235   6.9306 9.602227 10.86981 
1 1 1   24   12   13 o   24.329   6.8903   5.9334   2.7496   9.8353   4.0214   2.5080   3.7679   30.099   8.2634   18.388   7.7214 11.71096 11.30950 
1 1 1   24   12   14 o   12.370   5.7781  -1.4433   2.7730   1.0245   4.0001  -3.7262   3.8474   16.798   7.4885   12.947   6.2550 3.850444 9.757184 
1 1 1   24   12   15 o   13.028   5.9668  -0.4908   2.7499   2.0449   4.0383  -2.6831   3.7549   17.397   7.6505   13.169   6.3153 4.227449 9.920309 
1 1 1   24   12   16 o   16.541   6.6979   2.5700   2.7008   4.2341   3.7718   0.8189   3.8690   19.146   7.8539   15.534   7.1005 3.612840 10.58775 
1 1 1   24   12   17 o   16.788   6.8235   2.9390   2.8152   6.2106   4.4251   0.7144   3.6489   20.678   8.4973   14.833   6.8228 5.845413 10.89748 
1 1 1   24   13    0 o   14.292   8.7395   2.0071   3.7297   2.0071   3.7297   2.0071   3.7297   14.292   8.7395   14.292   8.7395 0.000000 0.000000 
1 1 1   24   13    1 o   62.496   2.9677   31.537   2.9022   33.058   4.1209   30.041   4.0880   63.122   4.1838   60.013   4.3706 3.109005 6.050300 
1 1 1   24   13    2 o   34.779   5.1043   10.416   2.7030   10.051   3.7992   10.790   3.8466   32.503   7.5871   33.819   7.4495 -1.316132 10.63295 
1 1 1   24   13    3 o   25.941   7.1323   6.3485   2.9934   5.5849   4.0562   7.2617   4.4358   24.119   8.5540   26.788   8.9681 -2.668951 12.39342 
1 1 1   24   13    4 f   15.073   6.4577   0.5945   2.7266   2.0099   3.8667  -0.8053   3.8454   18.784   7.8503   15.769   7.1577 3.014646 10.62362 
1 1 1   24   13    5 o   49.935   3.7879   20.628   2.9462   18.481   4.1578   22.794   4.1753   45.592   5.9532   51.322   5.2584 -5.730061 7.943033 
1 1 1   24   13    6 o   18.907   6.9845   3.0378   2.7401   3.1320   3.9352   2.9492   3.8176   20.090   8.1029   19.737   7.9736 0.3530674 11.36820 
1 1 1   24   13    7 o   50.069   3.7474   20.820   2.9231   21.324   4.2669   20.374   4.0125   49.025   5.6493   48.143   5.4042 0.8813934 7.817890 
1 1 1   24   13    8 o   50.185   3.6390   20.909   2.8465   19.544   3.9926   22.320   4.0592   46.888   5.5325   50.469   5.1995 -3.580387 7.592316 
1 1 1   24   13    9 o   12.338   5.7189  -1.3661   2.6360   3.7200   3.5835  -7.3634   3.8912   20.254   7.8683   11.456   5.6836 8.797935 9.706407 
1 1 1   24   13   10 o   15.586   6.3904   1.4931   2.4955   3.3266   3.5479  -0.3021   3.5108   19.522   7.7545   15.147   6.8611 4.374626 10.35407 
1 1 1   24   13   11 o   16.757   6.8513   1.9611   2.8586   2.8467   3.9383   0.9751   4.1556   19.051   7.9394   17.248   7.6644 1.802549 11.03525 
1 1 1   24   13   12 o   15.845   6.5722   1.5720   2.6806  -0.7600   3.8181   3.8388   3.7644   15.098   6.9571   20.105   7.9871 -5.007776 10.59224 
1 1 1   24   13   13 o   35.892   5.1220   11.644   2.8033   12.442   3.9426   10.828   3.9866   34.692   7.4634   31.595   8.0260 3.097263 10.95986 
1 1 1   24   13   14 o   10.540   5.0648  -2.4980   2.4432  -6.0474   3.4458   1.0902   3.4646   10.778   5.3476   15.854   7.0240 -5.075573 8.827970 
1 1 1   24   13   15 o   24.459   6.4213   6.3010   2.4956   5.2777   3.5523   7.2982   3.5067   20.806   7.8969   24.363   7.9669 -3.556982 11.21751 
1 1 1   24   13   16 o   24.019   6.6229   6.4075   2.5769   7.5336   3.5799   5.1968   3.7122   23.907   8.0571   19.943   7.9285 3.964909 11.30392 
1 1 1   24   14    0 o   50.314   5.2390   21.409   4.0246   21.409   4.0246   21.409   4.0246   50.314   5.2390   50.314   5.2390 0.000000 0.000000 
1 1 1   24   14    1 o   23.890   6.7184   5.3727   2.6235   3.6206   3.6769   7.1899   3.7445   20.630   7.9823   26.734   8.1704 -6.104681 11.42241 
1 1 1   24   14    2 o   17.009   6.6981   2.0414   2.6262   7.0961   3.6958  -3.1140   3.7325   26.559   8.1171   13.608   6.4615 12.95113 10.37493 
1 1 1   24   14    3 f   10.992   5.3381  -4.0721   2.8967  -5.5731   3.9415  -2.3093   4.2715   12.547   6.1229   15.195   7.1215 -2.648269 9.391779 
1 1 1   24   14    4 o   35.544   4.8550   10.934   2.6374   11.330   3.7539   10.547   3.7063   34.403   7.1853   33.023   7.3419 1.380062 10.27285 
1 1 1   24   14    5 o   14.256   6.1956   0.3560   2.5807  -0.2759   3.6526   0.9860   3.6467   15.649   7.0516   16.945   7.3645 -1.296486 10.19610 
1 1 1   24   14    6 o   28.548   6.1985   7.5895   2.6971   9.8557   3.7974   5.2823   3.8316   31.279   7.7707   22.899   8.2906 8.380890 11.36303 
1 1 1   24   14    7 o   33.424   5.4946   10.049   2.7820   9.8102   3.9932   10.274   3.8779   30.675   8.1554   31.758   7.8310 -1.083021 11.30645 
1 1 1   24   14    8 o   15.527   6.6571   0.9794   2.9012   0.0717   4.0933   1.8957   4.1126   16.452   7.4345   18.271   7.8808 -1.819527 10.83413 
1 1 1   24   14    9 o   16.974   6.9275   2.0431   2.9159  -2.3029   4.0769   6.5945   4.1721   14.479   6.8389   24.448   8.6748 -9.968332 11.04637 
1 1 1   24   14   10 o   19.863   7.2385   3.8066   2.9272  -1.0113   4.2015   8.3512   4.0805   15.557   7.2142   27.354   8.5583 -11.79745 11.19326 
1 1 1   24   14   11 o   12.894   6.0062  -1.3980   2.9630   4.1488   3.9027  -8.9458   4.5526   20.512   8.1377   11.924   5.9532 8.587563 10.08280 
1 1 1   24   14   12 o   29.575   6.1057   8.4165   2.7399   9.2218   3.9269   7.6527   3.8246   28.617   8.2764   25.904   8.3082 2.712862 11.72713 
1 1 1   24   14   13 o   16.289   6.6046   2.1778   2.6299   1.1618   3.6733   3.2462   3.7669   16.141   7.1871   18.567   7.7531 -2.425325 10.57194 
1 1 1   24   14   14 o   18.125   6.8083   3.4739   2.6248   2.3394   3.7094   4.6117   3.7146   16.913   7.3878   19.723   7.9011 -2.810133 10.81694 
1 1 1   24   14   15 o   12.753   5.8222  -0.0036   2.5911  -0.3297   3.6411   0.3309   3.6881   14.015   6.5703   14.595   6.7649 -0.5799627 9.430416 
1 1 1   24   15    0 o   13.698   8.5589   1.7388   3.7686   1.7388   3.7686   1.7388   3.7686   13.698   8.5589   13.698   8.5589 0.000000 0.000000 
1 1 1   24   15    1 o   17.967   6.7827   2.6884   2.6123   0.0163   3.6703   5.4316   3.7188   15.908   7.1266   23.185   8.1935 -7.277395 10.85921 
1 1 1   24   15    2 o   33.063   5.4661   9.7822   2.7371   12.635   3.8898   6.9844   3.8522   36.238   7.0939   25.800   8.3440 10.43871 10.95194 
1 1 1   24   15    3 o   15.271   6.5825   0.7574   2.8657   4.6846   4.2438  -2.5341   3.8852   21.986   8.5566   14.131   6.6750 7.854663 10.85227 
1 1 1   24   15    4 o   21.171   6.9048   4.3215   2.6349   3.0558   3.7551   5.5490   3.6981   19.427   7.8864   23.223   8.1738 -3.796425 11.35811 
1 1 1   24   15    5 o   18.306   6.9849   2.8737   2.7884   2.6235   3.9415   3.1244   3.9452   18.964   7.9257   19.592   8.0341 -0.6282063 11.28554 
1 1 1   24   15    6 o   25.492   7.0484   6.4722   2.9141   7.0241   4.0129   5.8564   4.2387   25.374   8.5303   23.386   8.6781 1.988457 12.16868 
1 1 1   24   15    7 o   13.157   6.0677  -1.0941   2.9125   1.6955   4.1534  -3.7929   4.0852   17.978   7.8358   13.536   6.5157 4.442273 10.19087 
1 1 1   24   15    8 o   12.653   5.8400  -1.0958   2.7058   2.3220   3.8567  -4.4088   3.7971   18.282   7.7513   12.590   6.1135 5.692121 9.872083 
1 1 1   24   15    9 o   20.325   7.0375   4.0881   2.7349   5.3964   3.8762   2.7911   3.8594   22.405   8.3016   18.756   7.8412 3.648445 11.41931 
1 1 1   24   15   10 o   14.615   6.3448   0.7424   2.7006  -1.9197   3.8500   3.3212   3.7893   14.144   6.6699   19.226   7.8777 -5.081518 10.32209 
1 1 1   24   15   11 o   22.746   7.2190   5.4858   2.8935   1.0679   3.8604   11.150   4.3711   16.503   7.3567   30.925   8.6631 -14.42201 11.36532 
1 1 1   24   15   12 o   17.241   6.9141   2.7314   2.8477  -0.8711   4.1656   5.8924   3.9020   14.937   7.0108   22.066   8.2984 -7.128982 10.86348 
1 1 1   24   15   13 o   13.662   6.0994   0.5285   2.6638  -2.6527   3.7669   3.7106   3.7674   12.856   6.2057   18.434   7.7296 -5.577228 9.912444 
1 1 1   24   15   14 o   13.303   5.9819   0.4867   2.6129  -6.0982   3.6531   7.3837   3.7387   10.763   5.3669   23.247   8.2154 -12.48392 9.813120 
1 1 1   24   16    0 o   20.821   10.737   6.4198   4.4946   6.4198   4.4946   6.4198   4.4946   20.821   10.737   20.821   10.737 0.000000 0.000000 
1 1 1   24   16    1 o   26.103   7.6866   7.0566   3.3605   4.6018   4.8242   9.3705   4.6837   21.759   8.8989   28.549   9.1977 -6.790491 12.79797 
1 1 1   24   16    2 o   23.597   7.8476   5.7999   3.3975   4.7005   4.7263   6.9755   4.8874   21.816   8.8508   24.733   9.2904 -2.917387 12.83153 
1 1 1   24   16    3 o   42.699   5.9037   16.764   3.8502   14.061   5.8194   18.868   5.1347   33.854   10.152   43.019   7.8969 -9.164200 12.86159 
1 1 1   24   16    4 o   27.448   7.7226   7.8699   3.4656   3.1068   4.8856   12.694   4.9167   20.032   8.6144   33.462   9.1170 -13.42973 12.54300 
1 1 1   24   16    5 o   18.573   7.2529   3.0279   3.0574   8.9580   4.3805  -2.6051   4.2694   27.987   8.8823   14.546   6.9079 13.44136 11.25229 
1 1 1   24   16    6 o   14.799   6.4820   0.5637   2.8729   4.1718   4.2121  -2.5749   3.9285   20.737   8.3763   13.939   6.6216 6.797606 10.67741 
1 1 1   24   16    7 o   10.005   4.9130  -4.3413   2.6590  -7.5540   3.6248  -0.5989   3.9123   10.686   5.3312   15.342   7.0599 -4.656473 8.846659 
1 1 1   24   16    8 o   16.550   6.6790   2.0967   2.6754   1.7875   3.7161   2.4293   3.8548   17.300   7.4767   18.173   7.7289 -0.8726711 10.75345 
1 1 1   24   16    9 f   16.662   6.6964   2.2328   2.6773   2.0019   3.5900   2.5221   4.0186   17.268   7.4045   18.246   7.8289 -0.9773254 10.77581 
1 1 1   24   16   10 o   14.728   6.3105   1.1262   2.6039  -1.4842   3.5162   4.2962   3.8749   13.628   6.4105   20.050   8.0567 -6.421172 10.29590 
1 1 1   24   16   11 o   14.668   6.3126   1.2379   2.6274   2.1806   3.6509   0.2252   3.7840   16.888   7.3539   15.127   6.9543 1.761733 10.12138 
1 1 1   24   16   12 o   11.767   5.5115  -1.0163   2.5515   4.6000   3.5815  -6.8048   3.6359   19.449   7.7693   10.547   5.2739 8.901656 9.390226 
1 1 1   24   16   13 o   25.914   6.4900   7.3749   2.6332   5.7351   3.5930   9.2777   3.8704   20.623   7.9140   26.044   8.3583 -5.421322 11.51049 
1 1 1   24   17    0 o   12.955   8.5163   0.6893   4.3786   0.6893   4.3786   0.6893   4.3786   12.955   8.5163   12.955   8.5163 0.000000 0.000000 
1 1 1   24   17    1 o   24.800   7.2064   6.3091   2.9707   3.6856   4.2311   8.8598   4.1720   20.097   8.2890   27.974   8.6380 -7.876465 11.97177 
1 1 1   24   17    2 o   35.432   5.4650   11.454   2.9411   13.646   4.2182   9.3806   4.1028   36.459   7.6185   28.997   8.4810 7.461445 11.40039 
1 1 1   24   17    3 o   19.334   7.1488   3.5847   2.8717   4.0387   4.1544   3.1692   3.9741   20.454   8.2981   19.268   7.9980 1.185678 11.52503 
1 1 1   24   17    4 o   16.285   6.9434   1.4931   3.1246   3.7930   4.4581  -0.7275   4.3807   20.227   8.4398   15.902   7.3716 4.325197 11.20580 
1 1 1   24   17    5 o   22.871   6.9398   5.3379   2.7080   9.1582   3.8503   1.5985   3.8093   28.841   8.1488   17.198   7.4999 11.64303 11.07480 
1 1 1   24   17    6 o   20.924   6.9908   4.4715   2.6956   3.4422   3.7750   5.5422   3.8503   19.280   7.8771   22.326   8.2736 -3.045425 11.42370 
1 1 1   24   17    7 o   13.859   6.1029   0.4175   2.5779   2.3195   3.6333  -1.5108   3.6583   17.632   7.5014   13.979   6.5640 3.652864 9.967817 
1 1 1   24   17    8 o   20.168   6.8987   4.2351   2.6255   0.2372   3.6347   8.5971   3.7967   15.262   6.9399   27.180   8.2109 -11.91819 10.75087 
1 1 1   24   17    9 o   17.828   6.7420   3.1894   2.5836   1.7990   3.6525   4.5817   3.6550   16.555   7.2783   20.051   7.9001 -3.495787 10.74177 
1 1 1   24   17   10 o   11.602   5.4501  -1.1981   2.5269  -0.8754   3.5840  -1.5170   3.5632   13.757   6.4713   13.258   6.3004 0.4989214 9.031718 
1 1 1   24   17   11 o   17.024   6.6367   3.0722   2.5564   6.1198   3.6962   0.2776   3.5395   21.341   8.0654   14.380   6.6522 6.960246 10.45477 
1 1 1   24   17   12 o   14.694   6.2621   1.7660   2.5394   1.5896   3.6266   1.9357   3.5568   15.380   6.9693   15.666   7.0171 -0.2859430 9.889983 
1 1 1   24   18    0 o   37.153   7.7042   13.493   3.9632   13.493   3.9632   13.493   3.9632   37.153   7.7042   37.153   7.7042 0.000000 0.000000 
1 1 1   24   18    1 o   19.872   6.9488   3.9770   2.6698   2.2695   3.7566   5.7196   3.7949   17.762   7.5941   22.567   8.2391 -4.805662 11.20505 
1 1 1   24   18    2 o   15.749   6.5183   1.6918   2.6288   4.2217   3.7546  -0.7411   3.6819   20.258   7.9992   14.665   6.7841 5.593266 10.48867 
1 1 1   24   18    3 o   12.999   5.8948  -0.3538   2.6008   0.7446   3.6898  -1.4384   3.6664   15.986   7.1547   14.053   6.5898 1.932941 9.727031 
1 1 1   24   18    4 o   34.015   5.2613   10.651   2.7179   13.457   3.8475   7.8552   3.8399   36.377   6.9938   25.958   8.3247 10.41973 10.87259 
1 1 1   24   18    5 o   17.403   6.9318   2.7272   2.8426   6.0063   4.0048  -0.6019   4.0353   22.488   8.4175   15.124   7.0328 7.363594 10.96881 
1 1 1   24   18    6 o   16.753   6.8866   2.3755   2.9077   5.4526   4.0225  -0.9919   4.2080   21.382   8.3280   14.925   7.0180 6.456857 10.89071 
1 1 1   24   18    7 o   15.647   6.6094   1.8239   2.7869   1.9233   3.8888   1.7190   3.9959   16.772   7.4355   16.661   7.4520 0.1107731 10.52705 
1 1 1   24   18    8 o   27.526   7.1457   8.5060   3.1134   9.1570   4.8515   8.0502   4.0596   24.646   9.2565   24.370   8.5651 0.2760448 12.61122 
1 1 1   24   18    9 o   16.069   6.6516   2.4487   2.7380   0.3436   3.9005   4.4935   3.8444   14.846   6.9070   18.971   7.8699 -4.125483 10.47103 
1 1 1   24   18   10 o   25.081   6.6668   7.1168   2.6688   6.5623   3.9200   7.5959   3.6437   21.293   8.2412   23.432   8.1225 -2.139006 11.57117 
1 1 1   24   19    0 o   10.650   7.2485  -0.7175   3.7029  -0.7175   3.7029  -0.7175   3.7029   10.650   7.2485   10.650   7.2485 0.000000 0.000000 
1 1 1   24   19    1 o   21.614   6.8629   5.0285   2.6149   7.5525   3.7648   2.6761   3.6346   24.854   8.2607   17.575   7.4907 7.279493 11.15126 
1 1 1   24   19    2 o   13.802   6.1138   0.5419   2.6240  -0.7093   3.6271   1.9156   3.8007   14.190   6.6216   16.786   7.4004 -2.596013 9.930340 
1 1 1   24   19    3 o   12.975   5.8995  -0.1354   2.6260   4.2139   3.7282  -4.4179   3.6995   19.372   7.8604   11.889   5.8291 7.483589 9.785906 
1 1 1   24   19    4 o   17.876   6.7691   3.3334   2.6066   3.7949   3.7195   2.8881   3.6538   18.646   7.7386   17.513   7.4888 1.132666 10.76885 
1 1 1   24   19    5 o   15.013   6.3618   1.6798   2.5956  -2.0558   3.7049   5.2806   3.6375   13.075   6.2709   20.500   7.9374 -7.424555 10.11565 
1 1 1   24   19    6 o   15.551   6.5782   2.0493   2.7671   4.1919   3.6422  -0.8757   4.2557   18.697   7.6989   14.421   6.8621 4.276681 10.31317 
1 1 1   24   19    7 o   13.405   5.9881   0.6663   2.5714   0.5984   3.6775   0.7313   3.5967   14.700   6.7930   14.730   6.7749 -0.3033066E-01 9.593970 
1 1 1   24   19    8 o   14.184   6.2822   1.2239   2.7692   0.1165   4.0131   2.2305   3.8260   14.482   6.8233   16.064   7.2298 -1.581960 9.941236 
1 1 1   24   19    9 o   10.899   5.2317  -1.8087   2.5908  -1.6730   3.6910  -1.9405   3.6376   12.815   6.1750   12.579   6.0785 0.2354469 8.664768 
1 1 1   24   20    0 o   15.238   9.0777   3.8556   3.8141   3.8556   3.8141   3.8556   3.8141   15.238   9.0777   15.238   9.0777 0.000000 0.000000 
1 1 1   24   20    1 o   15.543   6.4933   2.1724   2.6439  -0.9412   3.7149   5.3682   3.7636   13.621   6.4613   20.073   7.9824 -6.452541 10.26966 
1 1 1   24   20    2 o   12.847   5.8810   0.0173   2.6666  -3.9696   3.7408   4.1358   3.8021   11.845   5.8188   18.381   7.7398 -6.535706 9.683086 
1 1 1   24   20    3 o   13.634   6.0758   0.8157   2.6306   0.3387   3.7597   1.2732   3.6820   14.529   6.7670   15.242   6.9517 -0.7126513 9.701441 
1 1 1   24   20    4 o   13.810   6.1053   1.0450   2.6042   0.7398   3.6810   1.3509   3.6849   14.683   6.7892   15.214   6.9448 -0.5308304 9.712005 
1 1 1   24   20    5 o   11.783   5.5309  -0.7897   2.5936  -1.5568   3.6290   0.0113   3.7082   12.857   6.1765   14.036   6.5964 -1.179915 9.036676 
1 1 1   24   20    6 o   13.107   6.0543   0.1429   2.9161   1.5571   3.9014  -1.6475   4.3896   15.332   7.0534   13.640   6.6116 1.692150 9.667715 
1 1 1   24   21    0 f   9.6696   6.8605  -2.8913   4.3864  -2.8913   4.3864  -2.8913   4.3864   9.6696   6.8605   9.6696   6.8605 0.000000 0.000000 
1 1 1   24   21    1 o   12.330   5.8456  -0.8845   3.0318   0.7318   4.3349  -2.4321   4.2417   14.904   7.0433   12.985   6.3401 1.919185 9.476592 
1 1 1   25    0    1 o   74.565   3.4927   44.333   4.0665   44.333   4.0665   44.333   4.0665   74.565   3.4927   74.565   3.4927 0.000000 0.000000 
1 1 1   25    0    2 o   98.313   2.9687   76.586   4.5707   76.586   4.5707   76.586   4.5707   98.313   2.9687   98.313   2.9687 0.000000 0.000000 
1 1 1   25    0    3 o  180.393   2.4531  256.753   6.9416  256.753   6.9416  256.753   6.9416  180.393   2.4531  180.393   2.4531 0.000000 0.000000 
1 1 1   25    0    4 o   36.038   6.9796   11.603   3.5214   11.603   3.5214   11.603   3.5214   36.038   6.9796   36.038   6.9796 0.000000 0.000000 
1 1 1   25    0    5 o  100.655   2.9549   80.314   4.6585   80.314   4.6585   80.314   4.6585  100.655   2.9549  100.655   2.9549 0.000000 0.000000 
1 1 1   25    0    6 o   95.252   3.0452   72.019   4.5414   72.019   4.5414   72.019   4.5414   95.252   3.0452   95.252   3.0452 0.000000 0.000000 
1 1 1   25    0    7 o  101.860   3.0019   82.343   4.7891   82.343   4.7891   82.343   4.7891  101.860   3.0019  101.860   3.0019 0.000000 0.000000 
1 1 1   25    0    8 o   52.624   4.6170   22.705   3.7424   22.705   3.7424   22.705   3.7424   52.624   4.6170   52.624   4.6170 0.000000 0.000000 
1 1 1   25    0    9 o   59.653   4.9179   29.277   4.5294   29.277   4.5294   29.277   4.5294   59.653   4.9179   59.653   4.9179 0.000000 0.000000 
1 1 1   25    0   10 o   44.495   6.8527   17.450   4.4478   17.450   4.4478   17.450   4.4478   44.495   6.8527   44.495   6.8527 0.000000 0.000000 
1 1 1   25    0   11 f   39.256   7.3678   14.083   4.0714   14.083   4.0714   14.083   4.0714   39.256   7.3678   39.256   7.3678 0.000000 0.000000 
1 1 1   25    0   12 o  108.908   3.3591   95.072   5.7286   95.072   5.7286   95.072   5.7286  108.908   3.3591  108.908   3.3591 0.000000 0.000000 
1 1 1   25    0   13 o   11.660   7.6417   0.1584   3.4847   0.1584   3.4847   0.1584   3.4847   11.660   7.6417   11.660   7.6417 0.000000 0.000000 
1 1 1   25    0   14 o   14.484   8.6188   2.4986   3.4308   2.4986   3.4308   2.4986   3.4308   14.484   8.6188   14.484   8.6188 0.000000 0.000000 
1 1 1   25    0   15 o   13.321   8.1848   1.8240   3.3070   1.8240   3.3070   1.8240   3.3070   13.321   8.1848   13.321   8.1848 0.000000 0.000000 
1 1 1   25    0   16 o   26.206   9.0763   7.8462   3.3659   7.8462   3.3659   7.8462   3.3659   26.206   9.0763   26.206   9.0763 0.000000 0.000000 
1 1 1   25    0   17 o   36.129   6.8268   12.261   3.4678   12.261   3.4678   12.261   3.4678   36.129   6.8268   36.129   6.8268 0.000000 0.000000 
1 1 1   25    0   18 o   11.656   7.9518  -0.6994   4.5134  -0.6994   4.5134  -0.6994   4.5134   11.656   7.9518   11.656   7.9518 0.000000 0.000000 
1 1 1   25    0   19 o   28.013   8.7473   9.0710   3.3718   9.0710   3.3718   9.0710   3.3718   28.013   8.7473   28.013   8.7473 0.000000 0.000000 
1 1 1   25    1    0 o   14.696   8.6224   2.2393   3.3485   2.2393   3.3485   2.2393   3.3485   14.696   8.6224   14.696   8.6224 0.000000 0.000000 
1 1 1   25    1    1 o   65.502   2.7520   34.132   2.8225   32.872   4.0083   35.371   3.9753   63.785   4.0248   66.258   3.8396 -2.473064 5.562554 
1 1 1   25    1    2 o  148.184   1.8115  173.219   4.2126  166.327   5.8959  180.406   6.0210  144.803   2.5946  150.839   2.5436 -6.035889 3.633414 
1 1 1   25    1    3 o  130.652   1.8921  134.740   3.8794  133.066   5.4525  136.455   5.5206  129.451   2.6840  131.089   2.6836 -1.638138 3.795481 
1 1 1   25    1    4 o  150.094   1.8753  177.838   4.4170  184.473   6.0638  170.337   6.4472  152.490   2.5339  146.349   2.8072 6.140518 3.781671 
1 1 1   25    1    5 o   83.517   2.3227   55.296   3.0413   52.130   4.2560   58.600   4.3475   80.633   3.3709   85.565   3.2436 -4.932861 4.677990 
1 1 1   25    1    6 o   49.051   3.4182   19.377   2.6147   18.169   3.7495   20.520   3.6482   46.712   5.2031   49.922   4.7124 -3.209965 7.019925 
1 1 1   25    1    7 o   93.596   2.1780   69.384   3.1991   65.820   4.5251   72.945   4.5233   90.628   3.1867   95.512   3.0216 -4.884644 4.391474 
1 1 1   25    1    8 o   48.796   3.4768   19.260   2.6450   18.836   3.6970   19.703   3.7857   47.490   5.0374   48.580   5.0389 -1.089687 7.125017 
1 1 1   25    1    9 o   29.982   6.5053   8.0129   2.9726   9.3198   4.0962   6.5589   4.3206   31.400   8.2186   26.399   8.8511 5.000387 12.07837 
1 1 1   25    1   10 o   25.269   7.1972   5.9026   2.9914   7.6293   4.3387   4.3381   4.1299   27.918   8.8372   22.599   8.5290 5.318785 12.28169 
1 1 1   25    1   11 o   78.842   2.8059   49.986   3.4661   49.672   4.8804   50.307   4.9235   77.613   4.0207   78.099   4.0308 -0.4858704 5.693248 
1 1 1   25    1   12 o   23.371   6.9344   5.1298   2.7264   3.3166   3.6985   7.2879   4.0349   20.320   7.9648   26.872   8.5242 -6.551317 11.66624 
1 1 1   25    1   13 o   39.785   4.0722   13.287   2.5066   16.014   3.5482   10.569   3.5416   42.702   5.4166   33.429   6.9769 9.272873 8.832721 
1 1 1   25    1   14 o   10.766   5.1062  -2.1904   2.3180  -1.7742   3.3544  -2.5707   3.2068   13.697   6.3837   12.737   6.0306 0.9603405 8.781740 
1 1 1   25    1   15 o   51.877   3.2182   22.118   2.6070   23.669   3.6838   20.562   3.6900   52.554   4.5102   48.595   4.9058 3.959148 6.663990 
1 1 1   25    1   16 o   31.014   5.1456   8.5985   2.4166   9.1699   3.4329   8.0372   3.4026   30.224   7.3169   27.996   7.5662 2.228588 10.52542 
1 1 1   25    1   17 o   21.299   6.4061   4.4721   2.3147   2.5376   3.2721   6.4100   3.2750   17.813   7.3120   24.460   7.6692 -6.646208 10.59637 
1 1 1   25    1   18 o   18.627   7.0550   3.5541   2.8316   6.2546   4.6527   1.9654   3.5685   22.144   8.8522   16.787   7.2906 5.357071 11.46798 
1 1 1   25    1   19 o   29.869   5.2981   8.5797   2.3925   10.363   3.3695   6.7663   3.3977   30.606   7.1457   23.382   7.8491 7.224552 10.61458 
1 1 1   25    2    0 o   46.621   5.2645   18.055   3.7253   18.055   3.7253   18.055   3.7253   46.621   5.2645   46.621   5.2645 0.000000 0.000000 
1 1 1   25    2    1 o   95.563   2.1705   72.206   3.2551   71.278   4.6143   73.126   4.5925   94.517   3.1152   95.763   3.0599 -1.246529 4.366586 
1 1 1   25    2    2 o   96.288   2.1785   73.319   3.2919   74.548   4.6763   72.112   4.6348   96.667   3.0865   95.061   3.1110 1.606361 4.382383 
1 1 1   25    2    3 o  136.563   1.8528  147.182   3.9707  150.767   5.6360  143.649   5.5951  137.827   2.6057  134.508   2.6507 3.319504 3.716979 
1 1 1   25    2    4 o   77.702   2.6545   48.009   3.2320   48.261   4.2641   47.670   4.9549   77.522   3.5142   76.711   4.1312 0.8110809 5.423680 
1 1 1   25    2    5 o   13.925   6.0405  -0.0687   2.4439   0.9215   3.4501  -1.0659   3.4623   17.540   7.3784   15.319   6.8874 2.221313 10.09342 
1 1 1   25    2    6 o   92.608   2.1930   67.908   3.1871   71.082   4.5485   64.848   4.4670   94.287   3.0782   90.004   3.1676 4.283234 4.416875 
1 1 1   25    2    7 o   15.656   6.3263   1.1680   2.4036   3.4419   3.4271  -1.0333   3.3719   21.094   7.8077   15.060   6.7818 6.033513 10.34177 
1 1 1   25    2    8 o   66.538   2.9341   35.464   3.0562   37.079   4.3830   33.935   4.2638   67.349   4.1674   64.371   4.2445 2.977150 5.948388 
1 1 1   25    2    9 o   38.086   5.0310   12.261   2.9335   11.103   4.0762   13.505   4.2249   34.639   7.6983   38.629   7.2353 -3.990181 10.56474 
1 1 1   25    2   10 o   70.119   3.3065   39.822   3.6281   45.147   5.2141   34.823   5.0517   73.679   4.5314   64.237   5.0519 9.441750 6.786392 
1 1 1   25    2   11 o   16.222   6.6733   1.3288   2.7330   7.1591   3.8740  -4.4475   3.8560   26.997   8.3216   13.166   6.3359 13.83096 10.45909 
1 1 1   25    2   12 f   17.715   6.8031   2.3785   2.6565   3.4990   3.8118   1.3204   3.7042   20.649   8.0881   17.673   7.5483 2.975349 11.06320 
1 1 1   25    2   13 o   52.929   3.2847   22.942   2.7148   19.038   3.8303   26.882   3.8484   46.646   5.3279   56.414   4.3813 -9.767963 6.898029 
1 1 1   25    2   14 o   32.027   5.1818   9.0662   2.5155   9.6351   3.5523   8.4940   3.5625   31.336   7.3513   29.068   7.6915 2.268167 10.63962 
1 1 1   25    2   15 o   44.966   3.6497   16.859   2.5533   15.366   3.6033   18.365   3.6185   41.231   5.7231   45.678   5.1368 -4.447506 7.690299 
1 1 1   25    2   16 o   26.296   6.0027   6.5058   2.4224   4.0243   3.3577   9.1992   3.4981   20.440   7.6955   30.119   7.4441 -9.678604 10.70685 
1 1 1   25    2   17 o   29.210   5.4283   7.8805   2.3967   9.5660   3.3958   6.2075   3.3831   30.551   7.2014   23.874   7.8263 6.676617 10.63541 
1 1 1   25    2   18 o   15.374   6.4326   1.6846   2.6005   2.3003   3.8397   1.1628   3.5346   17.324   7.5428   15.835   7.0506 1.488987 10.32492 
1 1 1   25    2   19 o   15.786   6.2254   2.3145   2.2714   7.0521   3.2259  -2.3442   3.1989   24.220   7.6140   12.041   5.7884 12.17892 9.564421 
1 1 1   25    3    0 o  117.632   2.7743  109.449   5.1149  109.449   5.1149  109.449   5.1149  117.632   2.7743  117.632   2.7743 0.000000 0.000000 
1 1 1   25    3    1 o  170.345   1.7657  228.872   4.7201  220.386   6.5999  237.757   6.7531  166.707   2.5228  173.180   2.4848 -6.472534 3.541012 
1 1 1   25    3    2 o   81.601   2.3570   52.782   3.0151   51.191   4.2397   54.411   4.2886   79.929   3.3877   82.442   3.3217 -2.512329 4.744485 
1 1 1   25    3    3 o   37.704   4.3760   11.661   2.5412   10.595   3.5605   12.768   3.6280   34.921   6.7413   38.693   6.1829 -3.772541 9.147306 
1 1 1   25    3    4 o   50.146   3.8191   20.349   2.9828   21.505   4.1237   19.080   4.3198   50.898   5.2374   47.561   5.9151 3.336613 7.900499 
1 1 1   25    3    5 o   73.172   2.5941   42.585   2.9740   45.911   4.2362   39.352   4.1762   75.523   3.5846   69.784   3.8282 5.739136 5.244418 
1 1 1   25    3    6 o   18.218   6.6664   2.4580   2.4866   2.9491   3.5148   1.9660   3.5184   20.447   7.8322   18.991   7.6611 1.455641 10.95608 
1 1 1   25    3    7 o   80.668   2.4789   51.760   3.1344   53.897   4.3079   49.356   4.5689   81.858   3.3607   78.101   3.7386 3.757278 5.027081 
1 1 1   25    3    8 o   23.848   7.1084   5.1074   2.8597   2.9286   4.0214   7.3365   4.0675   20.808   8.2588   27.923   8.5119 -7.114920 11.86004 
1 1 1   25    3    9 o   34.852   5.6519   10.504   2.9854   10.266   4.1963   10.747   4.2482   32.897   8.1665   33.705   8.1270 -0.8076324 11.52127 
1 1 1   25    3   10 o   50.330   4.0531   20.914   3.1742   21.310   4.3335   20.456   4.6625   49.678   5.6595   48.136   6.3252 1.541882 8.487483 
1 1 1   25    3   11 o   25.937   6.5844   6.2030   2.6843   7.4212   3.8257   5.0217   3.7674   27.443   8.2316   23.178   8.2414 4.264290 11.64817 
1 1 1   25    3   12 o   13.500   5.9206   0.0062   2.4033  -0.1982   3.4071   0.2086   3.3905   15.446   6.8967   15.847   6.9880 -0.4014263 9.818197 
1 1 1   25    3   13 o   25.283   6.2715   5.9573   2.4762   4.1102   3.4571   7.9034   3.5485   21.109   7.8365   28.100   7.7811 -6.990541 11.04338 
1 1 1   25    3   14 f   65.168   2.7501   34.408   2.8062   37.483   4.0181   31.480   3.9208   67.040   3.8352   61.156   4.1092 5.884739 5.620893 
1 1 1   25    3   15 o   29.982   5.3626   8.0826   2.4305   8.6970   3.4371   7.4681   3.4374   29.444   7.4376   26.975   7.7255 2.468994 10.72383 
1 1 1   25    3   16 o   23.630   6.2888   5.3770   2.3729   3.2202   3.3313   7.5983   3.3808   19.108   7.5380   27.046   7.6338 -7.937553 10.72833 
1 1 1   25    3   17 o   14.553   6.0904   1.1922   2.3320  -0.9919   3.2409   3.5372   3.3581   13.701   6.3474   19.188   7.5686 -5.487387 9.877939 
1 1 1   25    3   18 o   21.932   6.4261   5.0190   2.3536   2.7517   3.3693   7.1797   3.2891   17.456   7.3140   24.937   7.6643 -7.481352 10.59418 
1 1 1   25    3   19 o   24.728   6.1671   6.3832   2.3850   8.2776   3.4224   4.5946   3.3254   26.101   7.7754   19.593   7.5885 6.507835 10.86473 
1 1 1   25    4    0 o  135.753   2.6566  145.650   5.6547  145.650   5.6547  145.650   5.6547  135.753   2.6566  135.753   2.6566 0.000000 0.000000 
1 1 1   25    4    1 o   95.457   2.1796   72.087   3.2650   73.778   4.6348   70.421   4.6003   96.135   3.0761   93.894   3.1264 2.241028 4.385972 
1 1 1   25    4    2 o   46.930   3.5375   17.753   2.5861   17.168   3.6549   18.340   3.6598   45.450   5.2189   47.082   5.0311 -1.632236 7.249082 
1 1 1   25    4    3 o   53.990   3.2142   23.370   2.7110   20.271   3.7966   26.595   3.8723   49.543   4.9493   57.113   4.3532 -7.569389 6.591367 
1 1 1   25    4    4 o   63.609   3.1466   32.400   3.1312   38.822   4.6493   27.068   4.2360   69.050   4.3121   57.388   4.7460 11.66243 6.412369 
1 1 1   25    4    5 o   68.167   2.6858   37.020   2.8675   36.296   4.0357   37.758   4.0750   66.963   3.8568   68.324   3.8158 -1.361153 5.425367 
1 1 1   25    4    6 o  111.599   2.1002   98.594   3.6781   96.040   4.9951  101.618   5.4359  109.666   2.9050  112.688   3.0768 -3.022614 4.231500 
1 1 1   25    4    7 o   31.574   6.1707   8.6968   2.9479   7.7837   4.1556   9.6217   4.1823   28.805   8.5647   32.129   8.2521 -3.324278 11.89333 
1 1 1   25    4    8 f   19.658   7.2073   3.0551   2.9087   3.5764   3.9577   2.4427   4.2892   21.564   8.2980   20.420   8.3758 1.143547 11.79025 
1 1 1   25    4    9 o   46.481   4.2355   17.889   3.0556   20.248   4.3606   15.614   4.2829   48.368   5.8645   41.782   6.7628 6.585239 8.951449 
1 1 1   25    4   10 o   60.984   3.2525   30.165   3.1015   24.574   4.2023   36.855   4.5965   53.813   5.0346   66.523   4.4282 -12.71002 6.704895 
1 1 1   25    4   11 o   77.585   2.5689   48.294   3.1234   46.460   4.4904   50.014   4.3475   75.101   3.8226   78.177   3.5529 -3.076424 5.218807 
1 1 1   25    4   12 o   31.883   5.1287   8.8784   2.4791   7.8593   3.4664   9.9454   3.5470   28.292   7.6327   32.303   7.1828 -4.010910 10.48094 
1 1 1   25    4   13 o   33.074   5.0164   9.5674   2.5221   9.5298   3.5758   9.6046   3.5578   31.193   7.4144   31.370   7.3553 -0.1776447 10.44389 
1 1 1   25    4   14 o   34.889   4.7706   10.588   2.5436   10.180   3.5434   11.022   3.6536   32.304   7.1762   33.698   7.1317 -1.393677 10.11727 
1 1 1   25    4   15 o   30.531   5.4757   8.4343   2.5271   9.6421   3.5426   7.1829   3.6061   31.068   7.3768   26.147   8.0231 4.921024 10.89898 
1 1 1   25    4   16 o   36.518   4.3840   11.547   2.4622   11.541   3.4285   11.553   3.5382   34.651   6.5447   34.429   6.7899 0.2217407 9.430612 
1 1 1   25    4   17 o   28.464   5.4738   7.5879   2.3563   8.6068   3.3269   6.5624   3.3378   28.442   7.3882   24.307   7.7579 4.135202 10.71309 
1 1 1   25    4   18 o   13.208   5.7644   0.6251   2.2542  -0.1968   3.1921   1.4427   3.1839   13.896   6.3881   15.587   6.8257 -1.690925 9.348678 
1 1 1   25    4   19 f   16.942   6.4124   2.9565   2.3384   4.1858   3.3079   1.7285   3.3062   18.893   7.4930   15.684   6.9089 3.208405 10.19204 
1 1 1   25    5    0 o   45.417   5.2696   17.203   3.6242   17.203   3.6242   17.203   3.6242   45.417   5.2696   45.417   5.2696 0.000000 0.000000 
1 1 1   25    5    1 o   76.562   2.4693   46.545   2.9630   48.375   4.2319   44.784   4.1498   77.604   3.4838   74.627   3.5537 2.976959 4.976490 
1 1 1   25    5    2 o   92.437   2.1746   67.622   3.1545   64.137   4.4247   71.224   4.4985   89.550   3.1535   94.437   3.0394 -4.886642 4.379765 
1 1 1   25    5    3 o   19.520   6.7699   3.0524   2.5313   2.1863   3.5727   3.9255   3.5870   19.435   7.7612   22.161   8.0219 -2.725935 11.16189 
1 1 1   25    5    4 o  133.754   2.0273  141.486   4.2554  137.379   6.4048  144.732   5.6938  131.100   3.1131  134.877   2.6900 -3.776321 4.114357 
1 1 1   25    5    5 o   58.951   3.2686   27.933   3.0120   27.382   4.2134   28.508   4.3074   57.645   4.6984   58.820   4.7057 -1.175781 6.649646 
1 1 1   25    5    6 o   96.870   2.4746   74.638   3.7587   71.836   5.2373   77.615   5.3975   94.367   3.5429   98.118   3.5111 -3.751030 4.987935 
1 1 1   25    5    7 f   39.524   4.9535   13.120   3.0051   11.332   4.2991   14.828   4.2023   34.932   8.0130   40.965   6.7733 -6.033066 10.49213 
1 1 1   25    5    8 o   66.373   3.2141   35.560   3.3379   36.056   4.6792   35.046   4.7627   65.924   4.5509   64.865   4.7109 1.058731 6.550071 
1 1 1   25    5    9 o   73.397   2.7491   43.226   3.1608   42.497   4.4225   43.986   4.5192   71.951   3.9317   73.189   3.9493 -1.238533 5.572711 
1 1 1   25    5   10 o   55.688   3.2784   25.217   2.8523   27.974   4.1663   22.785   3.9133   57.672   4.6425   51.849   4.8664 5.823730 6.725659 
1 1 1   25    5   11 o   36.609   4.4977   11.367   2.5298   11.197   3.5922   11.535   3.5632   34.739   6.8328   35.410   6.6565 -0.6701088 9.539205 
1 1 1   25    5   12 o   11.066   5.2246  -2.0889   2.3754  -2.5246   3.2960  -1.6180   3.4264   13.047   6.1582   14.066   6.5200 -1.019397 8.968480 
1 1 1   25    5   13 o   40.069   4.1619   13.582   2.5790   12.671   3.5807   14.564   3.7175   36.973   6.4031   39.931   6.1280 -2.957222 8.862962 
1 1 1   25    5   14 o   37.125   4.4194   11.833   2.5243   14.460   3.5524   9.1522   3.5878   39.884   5.8493   30.138   7.5910 9.746361 9.583215 
1 1 1   25    5   15 o   35.180   4.6591   10.788   2.5090   13.681   3.5413   7.8731   3.5553   38.431   6.0734   27.457   7.8546 10.97368 9.928831 
1 1 1   25    5   16 o   20.458   6.6038   4.1142   2.4137   4.4204   3.3735   3.7930   3.4550   20.847   7.7408   19.854   7.7224 0.9923344 10.93414 
1 1 1   25    5   17 o   12.210   5.5495  -0.4110   2.3206  -0.0113   3.3112  -0.7968   3.2533   14.527   6.6127   13.711   6.3546 0.8158741 9.171077 
1 1 1   25    5   18 o   14.084   5.9654   1.2422   2.2804   1.9132   3.2125   0.5606   3.2377   16.057   6.9455   14.596   6.6023 1.460947 9.582853 
1 1 1   25    6    0 o   45.745   5.2726   17.465   3.6546   17.465   3.6546   17.465   3.6546   45.745   5.2726   45.745   5.2726 0.000000 0.000000 
1 1 1   25    6    1 o   74.562   2.5434   44.207   2.9717   43.734   4.2229   44.671   4.1826   73.640   3.6657   74.468   3.5896 -0.8276901 5.130582 
1 1 1   25    6    2 o   31.628   5.3847   8.4769   2.5769   10.492   3.6681   6.5136   3.6210   34.471   7.0196   26.830   7.9990 7.641293 10.64230 
1 1 1   25    6    3 o  109.573   2.0926   95.019   3.5983   92.420   5.0849   97.627   5.0927  107.530   3.0163  110.572   2.9375 -3.041725 4.210332 
1 1 1   25    6    4 o   91.929   2.5820   67.263   3.7212   67.797   5.3392   66.760   5.1891   91.598   3.7221   90.949   3.6430 0.6490250 5.208269 
1 1 1   25    6    5 o   62.787   3.4634   31.816   3.3993   32.925   4.5966   30.476   5.0499   63.170   4.6698   60.274   5.3959 2.895859 7.136034 
1 1 1   25    6    6 o   35.881   5.4314   10.977   2.9628   6.8827   4.1301   15.317   4.2526   27.086   8.6280   41.692   6.7288 -14.60629 10.94161 
1 1 1   25    6    7 o   42.424   4.5655   15.006   2.9918   12.216   4.2622   17.716   4.2006   36.333   7.7139   45.166   6.0807 -8.832539 9.822352 
1 1 1   25    6    8 o   21.813   6.9085   4.2786   2.6512   4.2992   3.7648   4.2584   3.7341   22.283   8.1947   22.199   8.1617 0.8409691E-01 11.56574 
1 1 1   25    6    9 o   68.180   2.6949   37.318   2.8778   35.304   4.0373   39.398   4.1030   65.471   3.9479   69.304   3.7870 -3.832573 5.470551 
1 1 1   25    6   10 o   82.620   2.3810   54.596   3.0839   50.697   4.3352   58.591   4.3880   78.735   3.5175   84.856   3.3015 -6.121536 4.824136 
1 1 1   25    6   11 o   24.438   6.4119   5.5609   2.4893   6.9576   3.5306   4.1804   3.5101   26.445   7.9021   21.396   7.9049 5.049189 11.17726 
1 1 1   25    6   12 o   53.685   3.1361   23.545   2.6306   23.580   3.7347   23.511   3.7060   52.582   4.5713   52.533   4.5398 0.4862213E-01 6.442582 
1 1 1   25    6   13 o   26.419   6.2189   6.5455   2.5352   4.4312   3.5267   8.8066   3.6471   21.444   7.9234   29.458   7.7764 -8.014210 11.10191 
1 1 1   25    6   14 o   46.394   3.6669   17.970   2.6480   17.399   3.7186   18.558   3.7717   44.069   5.4962   45.652   5.3672 -1.583359 7.682086 
1 1 1   25    6   15 o   25.648   6.1633   6.2682   2.4497   5.7574   3.4912   6.7637   3.4383   23.369   7.9560   25.310   7.8462 -1.941114 11.17414 
1 1 1   25    6   16 o   17.706   6.4824   2.9003   2.3517   5.8787   3.4131   0.2082   3.2449   23.194   7.8669   14.889   6.6830 8.305222 10.32232 
1 1 1   25    6   17 o   25.536   6.0121   6.4905   2.3691   5.9668   3.3467   7.0165   3.3541   22.637   7.7873   24.618   7.7672 -1.980831 10.99872 
1 1 1   25    6   18 o   14.759   6.1804   1.6388   2.4038   8.0685   3.6342  -3.3619   3.2050   25.269   8.0982   11.410   5.5578 13.85825 9.821953 
1 1 1   25    7    0 o   20.842   9.8692   5.4278   3.6598   5.4278   3.6598   5.4278   3.6598   20.842   9.8692   20.842   9.8692 0.000000 0.000000 
1 1 1   25    7    1 o   41.434   4.3826   14.131   2.8065   12.236   3.9646   16.034   3.9735   37.199   7.0494   43.328   6.0050 -6.129349 9.260326 
1 1 1   25    7    2 o   85.039   2.6640   57.629   3.5508   57.631   5.0338   57.628   5.0095   84.365   3.8119   84.376   3.7929 -0.1071930E-01 5.377472 
1 1 1   25    7    3 o   62.262   3.3114   31.207   3.2239   32.355   4.5527   30.053   4.5659   62.633   4.6654   60.220   4.8731 2.412895 6.746351 
1 1 1   25    7    4 o   67.038   3.1815   36.128   3.3374   34.144   4.6961   38.153   4.7439   64.274   4.6880   68.118   4.4624 -3.843636 6.472286 
1 1 1   25    7    5 f   65.807   3.5579   35.086   3.6607   37.908   4.8108   31.204   5.6419   67.741   4.5518   60.295   6.0441 7.446308 7.566316 
1 1 1   25    7    6 o   37.863   4.7486   12.042   2.7596   16.074   3.9343   8.1373   3.8718   43.048   5.9856   29.282   8.1352 13.76605 10.09991 
1 1 1   25    7    7 o   66.416   2.7867   35.405   2.8980   29.841   4.0621   41.171   4.1357   60.009   4.3429   71.016   3.7240 -11.00720 5.720892 
1 1 1   25    7    8 o   64.293   2.8326   33.258   2.8509   31.544   4.0020   35.024   4.0624   61.739   4.1547   65.198   3.9896 -3.458088 5.760054 
1 1 1   25    7    9 o   61.224   2.9893   30.317   2.8634   28.916   3.9959   31.796   4.1051   58.811   4.3606   61.767   4.2612 -2.955544 6.096961 
1 1 1   25    7   10 o   63.974   2.8517   33.081   2.8557   32.795   4.0568   33.361   4.0207   62.690   4.1469   63.300   4.0691 -0.6100960 5.809846 
1 1 1   25    7   11 o   50.040   3.4962   20.637   2.7282   20.727   3.8818   20.549   3.8353   48.832   5.1426   48.661   5.0979 0.1706085 7.241153 
1 1 1   25    7   12 f   17.509   6.5364   2.5443   2.4116   1.1099   3.4366   3.9360   3.3850   16.710   7.2057   20.646   7.7366 -3.935860 10.57249 
1 1 1   25    7   13 o   37.024   4.3663   11.750   2.4881   13.072   3.5100   10.414   3.5276   37.613   6.1595   32.700   7.0797 4.912792 9.384108 
1 1 1   25    7   14 o   13.836   5.9842   0.4757   2.3843  -0.2007   3.3273   1.1897   3.4183   14.907   6.7227   16.565   7.1649 -1.657949 9.825039 
1 1 1   25    7   15 o   25.150   6.1643   6.0794   2.4137   7.1908   3.4141   4.9687   3.4130   26.000   7.7709   21.835   7.8352 4.165287 11.03523 
1 1 1   25    7   16 o   16.007   6.3464   2.0907   2.3723   1.7948   3.2536   2.4265   3.4664   16.524   7.0663   17.523   7.3849 -0.9986954 10.22102 
1 1 1   25    7   17 o   21.967   6.5871   5.1532   2.4501   2.7562   3.5016   7.4524   3.4294   17.404   7.3828   24.997   7.8494 -7.592306 10.77585 
1 1 1   25    7   18 o   25.183   6.3588   6.7590   2.5131   5.7202   3.5004   7.8640   3.6101   21.144   7.8786   24.703   8.0839 -3.558601 11.28807 
1 1 1   25    8    0 o   12.097   8.2561  -2.1742   4.8750  -2.1742   4.8750  -2.1742   4.8750   12.097   8.2561   12.097   8.2561 0.000000 0.000000 
1 1 1   25    8    1 o   42.527   5.3324   15.275   3.4807   19.210   5.2229   12.131   4.6686   46.334   7.4344   36.002   8.4151 10.33219 11.22871 
1 1 1   25    8    2 o   22.674   7.5857   4.5117   3.1737   1.4515   4.4405   7.7076   4.5378   19.581   8.3102   28.440   9.0420 -8.859379 12.28077 
1 1 1   25    8    3 o   81.124   3.0531   52.844   3.8798   54.210   5.4589   51.449   5.5153   81.269   4.2956   79.028   4.4654 2.241386 6.196061 
1 1 1   25    8    4 f   51.644   3.5315   21.665   2.8449   26.873   3.9322   15.946   4.1209   57.003   4.4305   42.676   6.3461 14.32725 7.739654 
1 1 1   25    8    5 o   39.320   4.8253   13.023   2.9151   13.332   4.0059   12.675   4.2501   38.514   6.8804   37.053   7.5655 1.461647 10.22624 
1 1 1   25    8    6 o   20.868   6.7199   3.8689   2.5003   6.1035   3.5956   1.7766   3.4792   25.381   8.0462   18.219   7.5156 7.162037 11.01028 
1 1 1   25    8    7 o   57.262   3.0978   26.529   2.7734   27.591   3.8969   25.439   3.9479   57.575   4.3451   55.076   4.6099 2.498093 6.334916 
1 1 1   25    8    8 o   44.248   3.8403   16.188   2.6403   21.034   3.7463   11.406   3.7216   49.750   4.8604   35.071   7.0073 14.67841 8.527920 
1 1 1   25    8    9 o   64.130   3.0576   33.377   3.0683   29.042   4.2272   38.203   4.4606   58.565   4.6373   67.621   4.2245 -9.056046 6.273054 
1 1 1   25    8   10 o   63.654   2.8706   32.825   2.8601   31.465   4.0723   34.149   4.0179   61.170   4.2690   63.972   4.0226 -2.802231 5.865646 
1 1 1   25    8   11 o   25.926   6.3460   6.3177   2.5607   8.8167   3.7568   4.1489   3.4997   29.437   7.9479   21.073   7.8727 8.363520 11.18700 
1 1 1   25    8   12 o   10.200   4.9337  -3.1838   2.4109   0.6687   3.3822  -7.1637   3.4376   16.038   7.0287   10.578   5.2639 5.459115 8.781245 
1 1 1   25    8   13 o   29.814   5.4980   8.0636   2.4776   9.2103   3.5341   6.9553   3.4743   30.214   7.4910   25.840   7.8648 4.373463 10.86139 
1 1 1   25    8   14 o   21.672   6.5867   4.5947   2.4380   5.6757   3.3881   3.4338   3.5109   23.250   7.8383   19.508   7.7251 3.741537 11.00524 
1 1 1   25    8   15 o   31.749   5.2875   9.2198   2.5418   10.635   3.7356   7.9999   3.4685   31.817   7.5884   27.226   7.7485 4.591475 10.84540 
1 1 1   25    8   16 o   24.806   6.5713   6.3832   2.5985   8.6041   3.6808   4.1768   3.6688   27.100   8.0613   19.626   7.8556 7.473436 11.25591 
1 1 1   25    8   17 o   13.616   6.1374   0.3520   2.7688   1.9262   3.6334  -1.8281   4.2759   16.315   7.2123   14.067   6.7441 2.247354 9.874172 
1 1 1   25    9    0 o   14.620   9.2186   1.5055   4.4799   1.5055   4.4799   1.5055   4.4799   14.620   9.2186   14.620   9.2186 0.000000 0.000000 
1 1 1   25    9    1 o   22.498   7.3333   4.5298   2.9723   3.3918   4.3030   5.5682   4.1105   21.559   8.5474   24.651   8.6220 -3.091923 12.14073 
1 1 1   25    9    2 o   91.022   2.6606   66.251   3.7964   68.656   5.3870   63.878   5.3509   91.822   3.7464   88.462   3.8638 3.359856 5.381824 
1 1 1   25    9    3 o   40.574   4.9348   13.911   3.0776   16.700   4.4137   11.272   4.2936   43.284   6.7153   34.487   8.0763 8.797039 10.50344 
1 1 1   25    9    4 o   50.689   3.8390   21.086   3.0311   20.078   4.4685   21.944   4.1252   47.935   6.0764   50.775   5.2530 -2.839283 8.032234 
1 1 1   25    9    5 o   30.188   6.3362   8.1994   2.9059   9.0380   4.0693   7.3267   4.1510   30.453   8.2929   27.297   8.6444 3.156488 11.97905 
1 1 1   25    9    6 o   28.235   6.1990   7.1943   2.6712   6.6457   3.7705   7.7472   3.7849   26.112   8.2348   28.166   8.1191 -2.053944 11.56429 
1 1 1   25    9    7 o   24.245   6.8981   5.5068   2.7494   10.507   3.9092   0.6122   3.8676   33.064   7.6812   17.211   7.5301 15.85338 10.75654 
1 1 1   25    9    8 o   29.189   6.0108   7.7169   2.6616   8.3153   3.7771   7.1267   3.7512   28.889   8.0384   26.662   8.1833 2.227045 11.47090 
1 1 1   25    9    9 o   9.5064   4.6948  -4.9618   2.5463  -6.8696   3.5961  -3.0435   3.6060   11.153   5.5210   13.349   6.3419 -2.195212 8.408413 
1 1 1   25    9   10 o   14.751   6.3486   0.6176   2.6578   2.1878   3.7975  -0.8901   3.7211   18.527   7.7640   15.187   6.9502 3.340134 10.42041 
1 1 1   25    9   11 o   17.458   6.8964   2.3274   2.7919  -0.8430   4.2074   4.8215   3.7318   15.968   7.3381   22.070   8.1513 -6.101997 10.96772 
1 1 1   25    9   12 o   12.525   5.7427  -0.9591   2.5569  -1.3184   3.6448  -0.6109   3.5878   14.522   6.7290   15.030   6.8579 -0.5086699 9.607825 
1 1 1   25    9   13 o   11.984   5.5794  -1.4343   2.5517   2.3659   3.5739  -5.3857   3.6443   18.143   7.5623   11.790   5.7818 6.353030 9.519373 
1 1 1   25    9   14 o   13.046   5.9340  -0.5479   2.6597  -2.9581   3.6181   2.2857   3.9230   13.047   6.2412   18.151   7.7605 -5.103418 9.958825 
1 1 1   25    9   15 o   18.542   6.8490   3.4089   2.6347   3.9170   3.7340   2.9053   3.7180   19.556   7.8911   18.234   7.6644 1.321436 11.00056 
1 1 1   25    9   16 o   16.991   6.5512   2.8269   2.4703   2.6677   3.3847   3.0083   3.6137   17.190   7.2736   17.730   7.5095 -0.5401001 10.45457 
1 1 1   25    9   17 o   10.398   5.0923  -3.5413   2.7974  -4.4276   3.7444  -2.4219   4.2083   11.737   5.7766   13.481   6.5199 -1.743897 8.710806 
1 1 1   25   10    0 o   17.248   9.3679   3.8568   3.5697   3.8568   3.5697   3.8568   3.5697   17.248   9.3679   17.248   9.3679 0.000000 0.000000 
1 1 1   25   10    1 o   24.194   6.5197   5.3283   2.5309   6.3359   3.5142   4.2426   3.6479   25.802   7.9208   22.050   8.0735 3.751810 11.31021 
1 1 1   25   10    2 o   19.780   6.8895   3.3604   2.6230   1.7574   3.6033   5.1672   3.8255   18.320   7.6111   23.621   8.3135 -5.301031 11.27131 
1 1 1   25   10    3 o  101.771   2.3577   82.608   3.7654   83.630   5.3220   81.583   5.3282  101.520   3.3451  100.222   3.3927 1.298439 4.764423 
1 1 1   25   10    4 o   32.265   5.5875   9.1296   2.7268   11.341   3.9024   7.0199   3.8117   34.782   7.3783   26.771   8.2548 8.010981 11.07166 
1 1 1   25   10    5 o   62.666   3.4063   32.042   3.3373   29.137   4.9059   34.543   4.5531   58.057   5.4483   64.124   4.5542 -6.067776 7.101028 
1 1 1   25   10    6 o   15.457   6.4658   1.0270   2.6266  -0.8470   3.8042   2.7343   3.6310   15.617   7.1009   19.402   7.7981 -3.784137 10.54670 
1 1 1   25   10    7 o   27.029   6.2227   6.7222   2.5848   2.6759   3.7368   10.434   3.5792   19.322   7.8585   33.197   7.0862 -13.87498 10.58156 
1 1 1   25   10    8 o   48.464   3.6838   19.467   2.7807   19.997   3.9842   18.963   3.8827   47.703   5.4180   46.433   5.4310 1.270176 7.671398 
1 1 1   25   10    9 o   20.281   7.2160   3.8189   2.8886   5.8411   4.4923   2.3934   3.7718   23.784   8.9126   18.735   7.7856 5.049282 11.83425 
1 1 1   25   10   10 o   18.946   6.9000   3.2228   2.6593   4.3112   3.8024   2.1808   3.7204   21.280   8.1476   18.298   7.6774 2.982790 11.19496 
1 1 1   25   10   11 o   14.601   6.4948   0.0697   2.9920   0.8993   4.4464  -0.6169   4.0448   17.697   7.8918   15.798   7.2358 1.899022 10.70688 
1 1 1   25   10   12 o   16.279   6.7406   1.6628   2.8130  -2.4911   3.9537   5.9216   4.0033   14.136   6.6941   23.469   8.4775 -9.332655 10.80178 
1 1 1   25   10   13 o   18.177   7.0469   2.9128   2.8698   1.8244   4.0756   3.9831   4.0416   17.857   7.7728   20.379   8.2145 -2.522717 11.30907 
1 1 1   25   10   14 o   21.546   6.9921   4.8298   2.7038   5.5403   3.7067   4.0219   3.9525   22.196   8.1365   19.943   8.0928 2.252495 11.47589 
1 1 1   25   10   15 o   19.600   6.9722   4.1367   2.6966   2.8989   3.6503   5.6236   4.0008   17.776   7.5392   21.378   8.3114 -3.601233 11.22130 
1 1 1   25   10   16 o   13.827   6.1550   0.6914   2.6922   3.5271   3.8495  -2.0236   3.7667   18.082   7.7081   13.170   6.3180 4.912660 9.966537 
1 1 1   25   11    0 f   48.163   5.2915   19.611   3.8766   19.611   3.8766   19.611   3.8766   48.163   5.2915   48.163   5.2915 0.000000 0.000000 
1 1 1   25   11    1 o   13.668   6.0441  -0.2053   2.5537   1.0608   3.6206  -1.4588   3.6025   17.338   7.4351   14.748   6.7822 2.589553 10.06375 
1 1 1   25   11    2 o   40.167   4.3467   13.557   2.6963   16.599   3.7922   10.448   3.8344   43.521   5.6884   33.079   7.5530 10.44272 9.455509 
1 1 1   25   11    3 o   14.521   6.2729   0.3725   2.6135  -0.8138   3.5318   1.8083   3.8856   15.141   6.8675   18.547   7.8178 -3.406424 10.40585 
1 1 1   25   11    4 o   57.345   3.2375   26.805   2.9017   24.010   4.0424   29.776   4.1677   52.994   4.9169   59.437   4.5016 -6.443291 6.666398 
1 1 1   25   11    5 o   39.908   4.6606   13.596   2.8639   12.564   4.2706   14.440   3.8608   35.882   7.8065   39.812   6.3961 -3.929874 10.09214 
1 1 1   25   11    6 o   56.464   3.5088   26.246   3.0938   28.580   4.3799   23.922   4.3706   57.698   4.8831   52.262   5.4071 5.436165 7.285666 
1 1 1   25   11    7 o   50.254   3.7453   20.995   2.9324   22.408   4.0972   19.511   4.1988   50.621   5.2330   46.616   5.8695 4.005959 7.863525 
1 1 1   25   11    8 o   42.370   4.4754   15.363   2.9308   13.153   4.0698   17.743   4.2241   36.785   7.3078   43.879   6.3161 -7.093086 9.659005 
1 1 1   25   11    9 o   34.082   6.8955   11.171   3.5613   13.807   5.3502   9.0738   4.7720   34.977   9.5023   28.264   9.2966 6.713446 13.29365 
1 1 1   25   11   10 o   13.448   6.1199  -0.6816   2.8334  -4.1352   3.9435   3.0044   4.0739   13.131   6.3410   19.504   8.0972 -6.373329 10.28457 
1 1 1   25   11   11 o   14.267   6.4083  -0.1642   2.9896  -3.8446   4.3951   3.0047   4.0784   14.068   6.7684   19.386   8.0793 -5.318585 10.53974 
1 1 1   25   11   12 o   13.174   5.9828  -0.5206   2.6905  -2.1322   3.5340   1.7013   4.1495   13.497   6.3724   17.818   7.7976 -4.321184 10.07032 
1 1 1   25   11   13 o   20.904   6.8545   4.4618   2.5950   3.5959   3.6478   5.3490   3.6925   19.353   7.8030   21.987   8.1105 -2.633896 11.25463 
1 1 1   25   11   14 o   12.044   5.6034  -1.0187   2.5665   4.0477   3.6301  -6.0825   3.6292   19.396   7.7967   11.053   5.4845 8.342806 9.532488 
1 1 1   25   11   15 o   22.056   6.8114   5.4028   2.5941   5.2299   3.6554   5.5782   3.6818   20.511   7.9528   21.020   8.0249 -0.5090981 11.29803 
1 1 1   25   11   16 o   14.477   6.1566   1.5415   2.4456   6.3611   3.5950  -2.6100   3.3365   21.862   8.0131   11.976   5.7951 9.886327 9.889034 
1 1 1   25   12    0 o   12.717   8.1341   0.9319   3.6363   0.9319   3.6363   0.9319   3.6363   12.717   8.1341   12.717   8.1341 0.000000 0.000000 
1 1 1   25   12    1 o   55.715   3.3049   25.387   2.8766   25.578   4.0736   25.197   4.0627   54.731   4.7911   54.295   4.8180 0.4360619 6.794687 
1 1 1   25   12    2 f   27.127   6.4013   6.8381   2.6808   12.197   3.8554   1.8213   3.7302   35.919   7.0914   18.184   7.6621 17.73517 10.44011 
1 1 1   25   12    3 o   54.840   3.7400   24.915   3.1994   25.316   4.1916   24.354   4.9523   54.200   4.9839   51.932   6.1989 2.268024 7.953978 
1 1 1   25   12    4 o   29.315   6.0135   7.8576   2.6736   6.3289   3.7575   9.4254   3.8051   24.927   8.2516   30.688   7.8656 -5.761581 11.39981 
1 1 1   25   12    5 o   31.511   5.7439   8.9721   2.7358   7.0114   3.9200   10.834   3.8199   25.936   8.4193   33.224   7.5041 -7.288788 11.27818 
1 1 1   25   12    6 o   36.162   5.1722   11.525   2.8517   12.131   4.1567   10.987   3.9196   34.811   7.8024   33.190   7.6780 1.621391 10.94667 
1 1 1   25   12    7 f   26.878   6.6376   6.9352   2.7829   6.3562   3.8745   7.5521   3.9996   24.573   8.3811   26.569   8.4935 -1.996048 11.93242 
1 1 1   25   12    8 o   35.440   5.6269   11.376   3.0250   10.027   4.1447   12.913   4.4250   30.697   8.3736   35.316   8.1498 -4.618492 11.68489 
1 1 1   25   12    9 o   16.413   7.0081   1.3367   3.1916   1.4735   4.3536   1.1779   4.6927   18.058   7.9422   18.164   8.1033 -0.1063194 11.34646 
1 1 1   25   12   10 o   31.734   6.2500   9.5314   3.0017   8.1986   4.2311   10.882   4.2593   26.979   8.7462   31.694   8.4211 -4.715240 12.14126 
1 1 1   25   12   11 o   23.723   7.9456   6.0659   3.4819   5.8328   4.6588   6.3609   5.2408   22.845   8.9437   23.405   9.3819 -0.5602913 12.96183 
1 1 1   25   12   12 o   19.315   7.2447   3.6981   2.9698  -0.2070   4.0953   8.0292   4.3129   15.725   7.2315   25.809   8.8415 -10.08361 11.42216 
1 1 1   25   12   13 o   38.947   4.8457   13.807   2.8978   16.083   4.3724   12.025   3.8696   38.718   7.4668   33.123   7.6053 5.594913 10.65798 
1 1 1   25   12   14 o   12.460   5.7647  -0.6036   2.6598   0.5414   3.7757  -1.7316   3.7475   15.188   6.9694   13.427   6.4035 1.760670 9.464492 
1 1 1   25   12   15 o   16.102   6.5449   2.5125   2.5902   1.0783   3.8040   3.7523   3.5367   15.362   7.0291   18.078   7.5279 -2.715565 10.29942 
1 1 1   25   13    0 o   90.005   3.5914   65.485   5.0542   65.485   5.0542   65.485   5.0542   90.005   3.5914   90.005   3.5914 0.000000 0.000000 
1 1 1   25   13    1 o   13.615   6.0566  -0.1732   2.6024  -1.1612   3.6316   0.8697   3.7313   14.775   6.8000   16.908   7.3971 -2.133508 10.04775 
1 1 1   25   13    2 o   57.976   3.2843   27.596   2.9759   27.314   4.1824   27.886   4.2353   56.319   4.7772   56.897   4.7878 -0.5780296 6.763466 
1 1 1   25   13    3 o   22.292   7.7124   4.9071   3.2843   6.1942   4.6003   3.5691   4.6904   24.189   9.0282   20.865   8.6774 3.323528 12.52224 
1 1 1   25   13    4 o   36.081   5.6120   11.718   3.0743   13.440   4.3403   9.9836   4.3553   36.627   7.7909   30.467   8.6865 6.160282 11.66846 
1 1 1   25   13    5 o   29.211   6.9385   8.3044   3.1333   1.2937   4.3680   15.735   4.4970   18.046   7.9456   40.030   7.4322 -21.98382 10.87980 
1 1 1   25   13    6 o   24.052   7.3818   5.8385   3.0524  -3.3594   4.2091   16.041   4.4331   14.110   6.7447   40.540   7.2336 -26.43012 9.890171 
1 1 1   25   13    7 o   20.639   7.1050   4.1395   2.7861   0.3874   3.9041   8.0333   3.9772   16.427   7.3553   27.181   8.4408 -10.75416 11.19588 
1 1 1   25   13    8 o   26.796   6.6487   7.0040   2.7825   4.7374   3.9848   9.1608   3.8870   21.639   8.3265   29.290   8.1562 -7.650621 11.65570 
1 1 1   25   13    9 o   16.266   6.7875   1.6442   2.8837   5.3651   3.9750  -2.4897   4.1898   22.432   8.3883   14.473   6.8645 7.959108 10.83907 
1 1 1   25   13   10 o   16.056   6.4737   1.8953   2.5110   2.2443   3.5697   1.5535   3.5326   17.732   7.4848   16.863   7.2889 0.8687496 10.44748 
1 1 1   25   13   11 o   19.339   6.9860   3.7528   2.7186   1.5649   3.5935   6.6809   4.1573   16.708   7.2854   23.703   8.6281 -6.994911 11.29251 
1 1 1   25   13   12 o   21.970   6.6888   5.1073   2.5128   3.2355   3.5215   7.0490   3.5866   18.260   7.5495   24.295   8.0625 -6.035278 11.04534 
1 1 1   25   13   13 o   10.962   5.2119  -1.7305   2.4444  -4.8945   3.3979   1.6631   3.5191   10.995   5.4287   15.979   7.0792 -4.984082 8.921137 
1 1 1   25   13   14 o   15.682   6.4851   2.2463   2.5993   4.7648   3.6207  -0.4322   3.7340   19.417   7.7930   14.065   6.6129 5.351721 10.22064 
1 1 1   25   14    0 o   13.464   9.0157  -0.0648   5.2955  -0.0648   5.2955  -0.0648   5.2955   13.464   9.0157   13.464   9.0157 0.000000 0.000000 
1 1 1   25   14    1 o   32.259   7.1110   10.195   3.5028   12.141   4.9481   8.2395   4.9594   32.914   9.2160   26.703   9.4596 6.211536 13.20679 
1 1 1   25   14    2 o   16.919   7.1951   1.5285   3.3404  -0.3708   4.8280   3.2726   4.6265   17.137   7.8699   20.259   8.5345 -3.122248 11.60918 
1 1 1   25   14    3 f   14.579   6.7281  -1.1045   3.5896  -5.1106   5.7906   1.3957   4.5745   15.647   7.5867   18.275   8.0850 -2.627329 11.08716 
1 1 1   25   14    4 o   13.493   6.1348  -0.6301   2.8391   0.4460   4.2226  -1.5179   3.8354   16.930   7.6096   14.666   6.8320 2.264797 10.22651 
1 1 1   25   14    5 o   29.654   6.1866   8.2971   2.7858   9.8171   3.9661   6.8170   3.9137   30.421   8.1458   25.023   8.4243 5.398586 11.71847 
1 1 1   25   14    6 o   14.314   6.2755   0.3872   2.6982   0.8175   3.8340  -0.0350   3.7978   16.667   7.3864   15.792   7.1464 0.8750839 10.27767 
1 1 1   25   14    7 o   28.493   6.3237   7.7910   2.7538   7.5118   3.9454   8.0562   3.8454   26.006   8.4469   27.121   8.2779 -1.115726 11.82682 
1 1 1   25   14    8 o   15.043   6.3966   1.0957   2.6394  -0.1196   3.6997   2.3554   3.7665   15.415   7.0064   18.100   7.6664 -2.684617 10.38577 
1 1 1   25   14    9 o   21.735   6.8775   4.8214   2.6280   2.9000   3.6018   7.0086   3.8429   18.474   7.6364   24.783   8.3478 -6.308952 11.31371 
1 1 1   25   14   10 o   18.561   6.8321   3.4142   2.6179   2.7912   3.5904   4.1213   3.8252   18.023   7.5508   19.866   7.9972 -1.842941 10.99866 
1 1 1   25   14   11 o   11.376   5.4164  -1.9640   2.6590  -6.9070   3.4860   4.9126   4.1117   10.382   5.1874   20.361   8.2573 -9.978658 9.751472 
1 1 1   25   14   12 o   19.480   6.8067   4.2097   2.5614   1.0073   3.5547   7.6680   3.6940   15.294   6.9180   24.429   8.1840 -9.134665 10.71624 
1 1 1   25   14   13 o   15.187   6.3969   1.9402   2.5984   5.6383   3.5467  -2.3442   3.8176   20.711   7.8837   12.885   6.2263 7.826009 10.04583 
1 1 1   25   15    0 o   15.163   9.0605   2.9596   3.8218   2.9596   3.8218   2.9596   3.8218   15.163   9.0605   15.163   9.0605 0.000000 0.000000 
1 1 1   25   15    1 o   12.129   5.7009  -1.8556   2.7712  -6.8625   3.8678   3.4256   3.9723   11.536   5.7131   19.794   8.0828 -8.257634 9.898062 
1 1 1   25   15    2 o   15.779   6.6412   1.3617   2.7975   5.1795   3.9700  -2.4038   3.9428   22.232   8.3684   14.137   6.6916 8.095333 10.71485 
1 1 1   25   15    3 o   22.056   7.1577   4.9024   2.8333   4.7059   3.9922   5.1018   4.0218   21.499   8.3178   22.078   8.3973 -0.5790787 11.81951 
1 1 1   25   15    4 o   15.764   6.6491   1.3648   2.8136   3.4939   3.9252  -0.8852   4.0352   19.759   8.0476   15.373   7.1083 4.386264 10.73741 
1 1 1   25   15    5 o   23.159   6.7130   5.3442   2.5808   4.1485   3.6468   6.5437   3.6528   20.490   7.9437   24.473   8.1371 -3.982635 11.37166 
1 1 1   25   15    6 o   33.283   5.2129   10.037   2.6335   8.8675   3.7594   11.163   3.6902   28.534   8.0486   33.099   7.3008 -4.564308 10.86652 
1 1 1   25   15    7 o   12.783   5.7789  -0.3517   2.4761  -0.9850   3.4894   0.2907   3.5142   14.187   6.5775   15.389   6.9273 -1.202037 9.552506 
1 1 1   25   15    8 o   21.856   6.7183   4.9172   2.5272   4.9214   3.5549   4.9129   3.5933   21.168   7.9291   21.143   7.9608 0.2487946E-01 11.23590 
1 1 1   25   15    9 o   16.380   6.4950   2.3568   2.4849   3.1307   3.5024   1.5724   3.5261   18.162   7.5210   16.304   7.1600 1.858601 10.38419 
1 1 1   25   15   10 o   29.119   6.0157   8.5155   2.6579   15.184   3.8876   2.6627   3.6422   38.095   6.7499   17.276   7.4336 20.81866 10.04092 
1 1 1   25   15   11 o   20.483   6.8377   4.7594   2.5789   5.1380   3.7455   4.4182   3.5561   20.072   7.9692   19.142   7.7091 0.9301891 11.08776 
1 1 1   25   15   12 o   13.684   6.0545   0.8952   2.5658  -2.7904   3.7042   4.2945   3.5575   12.408   6.0283   18.628   7.6329 -6.219574 9.726294 
1 1 1   25   16    0 o   34.868   8.1829   12.211   3.8906   12.211   3.8906   12.211   3.8906   34.868   8.1829   34.868   8.1829 0.000000 0.000000 
1 1 1   25   16    1 o   14.339   6.2152   0.6759   2.5832   2.3399   3.6935  -0.9172   3.6141   17.963   7.5994   14.540   6.7245 3.422862 10.14738 
1 1 1   25   16    2 o   15.812   6.4796   1.7156   2.5640  -2.5352   3.5989   6.0974   3.6539   13.262   6.3107   23.504   8.1346 -10.24213 10.29545 
1 1 1   25   16    3 o   11.902   5.5389  -1.2853   2.5109  -0.8100   3.6107  -1.7304   3.4940   14.579   6.7351   13.627   6.4036 0.9521437 9.293394 
1 1 1   25   16    4 o   33.084   5.3324   10.041   2.6744   10.088   3.7775   9.9949   3.7869   30.593   7.8347   30.393   7.8762 0.1998119 11.10930 
1 1 1   25   16    5 o   29.855   6.1374   8.6408   2.7794   10.373   3.9467   6.9361   3.9147   30.534   8.1032   24.358   8.4204 6.176701 11.68610 
1 1 1   25   16    6 o   24.021   6.8545   6.0348   2.7108   1.9521   3.8012   10.260   3.8669   17.189   7.4939   30.201   8.0236 -13.01249 10.97895 
1 1 1   25   16    7 o   11.434   5.4325  -1.9197   2.6470  -4.2336   3.6689   0.5921   3.8227   12.031   5.8790   15.644   7.1149 -3.612500 9.229527 
1 1 1   25   16    8 o   12.050   5.6348  -1.0768   2.6491  -1.3002   3.7150  -0.8456   3.7786   13.761   6.5082   14.185   6.6638 -0.4235945 9.314687 
1 1 1   25   16    9 o   19.874   7.0305   4.5132   2.7386   2.9035   3.8143   6.2259   3.9344   17.376   7.5419   21.616   8.2848 -4.239925 11.20350 
1 1 1   25   16   10 o   23.745   6.7963   6.3977   2.6610   3.2559   3.8888   9.1643   3.6492   17.469   7.5983   26.723   8.0448 -9.254498 11.06589 
1 1 1   25   16   11 o   11.171   5.3008  -1.3822   2.5045  -2.1214   3.5196  -0.6239   3.5645   12.459   6.0102   13.537   6.3941 -1.077845 8.775341 
1 1 1   25   17    0 o   35.148   8.3355   12.697   3.9913   12.697   3.9913   12.697   3.9913   35.148   8.3355   35.148   8.3355 0.000000 0.000000 
1 1 1   25   17    1 o   27.396   6.3681   7.5094   2.6857   10.981   3.8647   4.2672   3.7348   31.547   7.8405   20.012   7.9538 11.53531 11.16856 
1 1 1   25   17    2 o   18.853   6.8006   3.6004   2.5751   2.9847   3.6183   4.2324   3.6656   18.194   7.5981   19.896   7.8888 -1.702925 10.95288 
1 1 1   25   17    3 o   18.054   6.7845   3.2299   2.6071  -0.6836   3.6390   7.3567   3.7369   14.368   6.6803   24.772   8.2299 -10.40409 10.59988 
1 1 1   25   17    4 o   21.999   6.8832   5.2184   2.6395   2.2394   3.7540   8.1310   3.7119   17.158   7.4644   26.006   8.1663 -8.847261 11.06375 
1 1 1   25   17    5 o   20.725   6.8638   4.6933   2.5998   1.6289   3.6559   7.8284   3.6978   16.252   7.2069   25.172   8.1777 -8.920742 10.90019 
1 1 1   25   17    6 o   16.235   6.5539   2.4355   2.5770   1.3536   3.5929   3.5817   3.6982   15.730   7.0485   18.281   7.6614 -2.551692 10.41054 
1 1 1   25   17    7 o   18.903   6.8518   4.0055   2.6180   2.4809   3.6785   5.5705   3.7268   16.775   7.3414   20.729   8.0321 -3.954746 10.88169 
1 1 1   25   17    8 o   14.512   6.2242   1.5190   2.5379  -2.2651   3.6220   5.1689   3.5572   12.627   6.0926   19.954   7.8141 -7.326420 9.908619 
1 1 1   25   17    9 o   20.026   6.8329   4.7307   2.5753   8.8032   3.6505   0.6955   3.6338   25.671   8.1036   14.652   6.7645 11.01870 10.55587 
1 1 1   25   18    0 o   18.229   9.7291   5.4447   3.7880   5.4447   3.7880   5.4447   3.7880   18.229   9.7291   18.229   9.7291 0.000000 0.000000 
1 1 1   25   18    1 o   12.689   5.8195  -0.2773   2.6279  -0.3874   3.7973  -0.1761   3.6405   14.401   6.7381   14.364   6.6797 0.3683662E-01 9.487897 
1 1 1   25   18    2 o   14.332   6.2593   1.1238   2.6617  -0.2191   3.7062   2.5543   3.8250   14.378   6.7039   17.028   7.4683 -2.650146 10.03582 
1 1 1   25   18    3 o   11.504   5.4398  -1.4017   2.5932  -0.9197   3.6512  -1.8923   3.6835   13.718   6.4769   13.097   6.2736 0.6210012 9.017151 
1 1 1   25   18    4 o   16.680   6.7194   2.8139   2.7025   2.7825   3.8310   2.8450   3.8127   17.079   7.4830   17.138   7.4879 -0.5877495E-01 10.58607 
1 1 1   25   18    5 o   16.059   6.5392   2.5247   2.5910   3.9996   3.6716   1.0617   3.6569   18.289   7.6472   15.141   6.9141 3.148516 10.30942 
1 1 1   25   18    6 o   14.566   6.2545   1.6059   2.5684   3.9916   3.6725  -0.6782   3.5934   18.105   7.6141   13.551   6.4065 4.553488 9.950716 
1 1 1   25   18    7 o   18.720   7.0099   4.2315   2.7780   2.3242   3.9165   6.1627   3.9409   16.229   7.3085   20.625   8.1791 -4.396318 10.96865 
1 1 1   25   19    0 o   9.0187   6.3821  -2.7853   3.7121  -2.7853   3.7121  -2.7853   3.7121   9.0187   6.3821   9.0187   6.3821 0.000000 0.000000 
1 1 1   25   19    1 o   13.510   6.0313   0.7922   2.6047  -2.5809   3.7069   4.0817   3.6607   12.432   6.0377   18.111   7.6084 -5.679146 9.713009 
1 1 1   25   19    2 o   9.9661   4.8788  -3.1625   2.5611  -9.2296   3.5642   3.3142   3.6825   9.4195   4.7731   17.168   7.4312 -7.748410 8.832067 
1 1 1   25   19    3 o   32.655   6.0787   11.234   3.0004   12.071   4.1256   10.294   4.3716   29.836   8.4369   25.921   8.9007 3.914570 12.26397 
1 1 1   26    0    0 o   26.923   13.268   9.1441   6.7002   9.1441   6.7002   9.1441   6.7002   26.923   13.268   26.923   13.268 0.000000 0.000000 
1 1 1   26    0    1 o   17.306   10.174   3.4451   4.6788   3.4451   4.6788   3.4451   4.6788   17.306   10.174   17.306   10.174 0.000000 0.000000 
1 1 1   26    0    2 o   22.009   11.383   6.4529   5.0616   6.4529   5.0616   6.4529   5.0616   22.009   11.383   22.009   11.383 0.000000 0.000000 
1 1 1   26    0    3 o   29.737   9.3990   9.2818   3.8553   9.2818   3.8553   9.2818   3.8553   29.737   9.3990   29.737   9.3990 0.000000 0.000000 
1 1 1   26    0    4 o   10.505   7.2161  -2.1719   3.8606  -2.1719   3.8606  -2.1719   3.8606   10.505   7.2161   10.505   7.2161 0.000000 0.000000 
1 1 1   26    0    5 o   25.639   9.3717   7.3658   3.4758   7.3658   3.4758   7.3658   3.4758   25.639   9.3717   25.639   9.3717 0.000000 0.000000 
1 1 1   26    0    6 o   12.773   8.0589   1.0269   3.4298   1.0269   3.4298   1.0269   3.4298   12.773   8.0589   12.773   8.0589 0.000000 0.000000 
1 1 1   26    0    7 o   62.246   4.1775   31.558   4.0378   31.558   4.0378   31.558   4.0378   62.246   4.1775   62.246   4.1775 0.000000 0.000000 
1 1 1   26    0    8 o   94.942   3.0999   72.000   4.6075   72.000   4.6075   72.000   4.6075   94.942   3.0999   94.942   3.0999 0.000000 0.000000 
1 1 1   26    0    9 o   13.383   8.2132   1.6979   3.3212   1.6979   3.3212   1.6979   3.3212   13.383   8.2132   13.383   8.2132 0.000000 0.000000 
1 1 1   26    0   10 o   24.134   10.044   7.2508   3.7955   7.2508   3.7955   7.2508   3.7955   24.134   10.044   24.134   10.044 0.000000 0.000000 
1 1 1   26    0   11 o   16.063   9.1209   3.3985   3.5650   3.3985   3.5650   3.3985   3.5650   16.063   9.1209   16.063   9.1209 0.000000 0.000000 
1 1 1   26    0   12 o   18.572   9.2805   4.6778   3.2983   4.6778   3.2983   4.6778   3.2983   18.572   9.2805   18.572   9.2805 0.000000 0.000000 
1 1 1   26    0   13 o   22.404   9.6198   6.4171   3.4627   6.4171   3.4627   6.4171   3.4627   22.404   9.6198   22.404   9.6198 0.000000 0.000000 
1 1 1   26    0   14 o   13.715   8.3547   2.1132   3.3799   2.1132   3.3799   2.1132   3.3799   13.715   8.3547   13.715   8.3547 0.000000 0.000000 
1 1 1   26    0   15 o   76.050   3.4770   47.076   4.1299   47.076   4.1299   47.076   4.1299   76.050   3.4770   76.050   3.4770 0.000000 0.000000 
1 1 1   26    0   16 o   47.554   5.4378   19.963   3.9208   19.963   3.9208   19.963   3.9208   47.554   5.4378   47.554   5.4378 0.000000 0.000000 
1 1 1   26    0   17 o   13.124   8.3442   1.9822   3.7582   1.9822   3.7582   1.9822   3.7582   13.124   8.3442   13.124   8.3442 0.000000 0.000000 
1 1 1   26    1    0 o   12.541   8.4324  -1.2420   4.7212  -1.2420   4.7212  -1.2420   4.7212   12.541   8.4324   12.541   8.4324 0.000000 0.000000 
1 1 1   26    1    1 o   30.524   7.6591   8.5397   3.6624   8.2763   5.0747   8.8261   5.2909   29.324   9.5836   30.120   9.7816 -0.7964401 13.69401 
1 1 1   26    1    2 o   54.856   4.3606   24.755   3.7230   22.124   5.2470   27.423   5.2835   50.214   6.8360   56.598   6.0420 -6.384155 9.123366 
1 1 1   26    1    3 o   44.335   4.1849   16.176   2.8772   12.945   4.1113   19.277   4.0278   37.974   7.1617   47.676   5.4833 -9.701855 9.019756 
1 1 1   26    1    4 o   15.779   6.7672   0.4731   3.0000   1.8058   4.2648  -0.8323   4.2208   19.611   8.2237   16.841   7.5854 2.770163 11.18779 
1 1 1   26    1    5 o   66.811   2.7114   35.740   2.8369   34.750   4.0143   36.727   4.0096   65.156   3.9445   67.071   3.8253 -1.915245 5.494695 
1 1 1   26    1    6 o   65.269   2.7463   34.168   2.8067   35.591   3.9289   32.684   4.0108   65.963   3.8117   63.020   4.0774 2.943665 5.581602 
1 1 1   26    1    7 o   42.033   3.8552   14.562   2.5147   14.265   3.5838   14.851   3.5294   40.418   5.8176   41.418   5.5712 -1.000465 8.054932 
1 1 1   26    1    8 o   31.447   5.2382   8.5844   2.4941   8.2012   3.5044   8.9777   3.5505   29.292   7.5696   30.773   7.4359 -1.481300 10.61086 
1 1 1   26    1    9 o   52.234   3.2757   22.253   2.6716   25.081   3.8279   19.566   3.7305   54.565   4.5105   47.741   5.0561 6.824535 6.775617 
1 1 1   26    1   10 o   53.825   3.4958   23.815   2.9368   22.640   4.4530   24.719   3.9070   50.634   5.7031   53.908   4.6641 -3.274261 7.367489 
1 1 1   26    1   11 o   61.582   2.8518   30.741   2.7486   29.756   3.8734   31.741   3.9009   59.513   4.1739   61.582   4.0591 -2.069702 5.822126 
1 1 1   26    1   12 o   32.145   5.1893   9.1387   2.5287   6.0424   3.5566   12.304   3.5958   24.326   8.0270   36.263   6.5602 -11.93661 10.36674 
1 1 1   26    1   13 o   45.833   3.6283   17.491   2.5884   18.540   3.6671   16.450   3.6540   45.874   5.1847   42.844   5.5660 3.029358 7.606646 
1 1 1   26    1   14 o   55.191   3.1180   25.031   2.6895   24.812   3.8031   25.249   3.8040   53.599   4.5648   54.119   4.5203 -0.5196724 6.424218 
1 1 1   26    1   15 o   27.629   5.7848   7.1970   2.4276   10.771   3.4421   3.6600   3.4243   32.869   6.8935   19.530   7.6612 13.33968 10.30607 
1 1 1   26    1   16 o   50.717   3.6820   21.990   2.9106   23.506   3.9737   20.237   4.2751   50.656   5.0667   45.540   6.1382 5.116001 7.959187 
1 1 1   26    1   17 o   12.243   5.6815  -0.7597   2.6133  -1.4711   3.6890  -0.0431   3.7024   13.555   6.4325   14.656   6.7880 -1.101487 9.351665 
1 1 1   26    2    0 o  103.034   4.2766   85.421   6.8877   85.421   6.8877   85.421   6.8877  103.034   4.2766  103.034   4.2766 0.000000 0.000000 
1 1 1   26    2    1 o   26.872   7.8014   6.6451   3.4830   10.410   4.9153   2.8487   4.9362   32.801   9.1858   21.815   8.9706 10.98636 12.83942 
1 1 1   26    2    2 o   33.585   5.9702   9.7914   3.0313   9.6486   4.3093   9.9313   4.2647   31.934   8.4638   32.485   8.3276 -0.5511055 11.87370 
1 1 1   26    2    3 o   66.253   3.2338   35.378   3.3521   36.220   4.7041   34.509   4.7779   66.189   4.5566   64.454   4.7571 1.735031 6.587305 
1 1 1   26    2    4 o   16.671   6.9030   1.2121   2.9503   0.9527   4.2543   1.4524   4.0949   18.621   8.0234   18.926   8.0040 -0.3046951 11.33304 
1 1 1   26    2    5 o   67.408   2.7105   36.392   2.8614   32.166   3.9900   40.867   4.1058   62.561   4.0865   70.822   3.7071 -8.261612 5.517407 
1 1 1   26    2    6 o   49.540   3.4575   19.978   2.6711   17.204   3.6989   23.001   3.8615   44.840   5.3628   52.362   4.7509 -7.522171 7.164520 
1 1 1   26    2    7 o   64.853   2.7893   33.814   2.8321   39.535   4.0863   28.525   3.9287   69.463   3.7627   58.589   4.3029 10.87342 5.716054 
1 1 1   26    2    8 o   35.227   4.7180   10.562   2.5427   11.501   3.5737   9.5986   3.6185   35.507   6.6581   31.850   7.3837 3.656597 9.942348 
1 1 1   26    2    9 o   34.697   4.7310   10.300   2.5090   8.8460   3.5545   11.744   3.5420   30.286   7.5146   35.832   6.5399 -5.545233 9.961952 
1 1 1   26    2   10 o   34.928   5.6721   10.863   3.0024   8.0959   4.1867   13.792   4.3081   27.904   8.6594   37.857   7.5168 -9.952749 11.46676 
1 1 1   26    2   11 o   23.127   6.5181   5.0549   2.4667   7.3746   3.5668   2.9285   3.4149   26.994   7.9112   19.191   7.6126 7.802565 10.97900 
1 1 1   26    2   12 o   73.673   2.5524   43.766   2.9466   40.847   4.1674   46.685   4.1667   70.028   3.8065   75.167   3.5422 -5.138954 5.199708 
1 1 1   26    2   13 o   38.336   4.3679   12.589   2.5809   12.750   3.6693   12.431   3.6310   36.739   6.6071   36.249   6.6272 0.4906502 9.358116 
1 1 1   26    2   14 o   45.431   3.6627   17.288   2.5892   16.648   3.6593   17.931   3.6642   42.886   5.5686   44.774   5.3187 -1.888821 7.700487 
1 1 1   26    2   15 o   60.568   3.0062   30.234   2.8484   28.803   4.1258   31.537   3.9373   57.279   4.6294   60.550   4.1691 -3.270641 6.229956 
1 1 1   26    2   16 f   21.803   6.8779   5.0807   2.6301   3.5791   3.5851   6.8306   3.8703   18.805   7.6788   23.614   8.3575 -4.809299 11.34952 
1 1 1   26    2   17 o   18.391   6.8803   3.6353   2.6749   2.8559   3.7391   4.4523   3.8284   17.475   7.5256   19.446   7.9373 -1.971611 10.93775 
1 1 1   26    3    0 o   21.663   11.266   6.2737   4.9772   6.2737   4.9772   6.2737   4.9772   21.663   11.266   21.663   11.266 0.000000 0.000000 
1 1 1   26    3    1 o   22.425   7.4490   4.4255   3.0614   10.724   4.5402  -0.8259   4.1456   33.576   8.5844   16.754   7.5343 16.82209 11.42183 
1 1 1   26    3    2 o   66.827   3.1230   35.930   3.2661   37.352   4.6665   34.566   4.5729   67.299   4.4434   64.666   4.5349 2.633278 6.348962 
1 1 1   26    3    3 o   20.042   7.1604   3.3032   2.8472   4.3679   4.0173   2.2286   4.0357   22.764   8.4483   19.789   8.1216 2.974859 11.71895 
1 1 1   26    3    4 o   51.399   3.9903   21.687   3.1934   17.405   4.6852   25.402   4.3642   44.064   7.0100   54.891   5.1256 -10.82698 8.684006 
1 1 1   26    3    5 o   53.124   3.5737   22.996   2.9620   24.349   4.2009   21.659   4.1770   53.713   5.0428   50.408   5.3625 3.304134 7.361103 
1 1 1   26    3    6 o   67.282   2.8260   36.382   2.9772   36.784   4.0378   35.902   4.4071   66.976   3.8580   65.833   4.2892 1.142754 5.768986 
1 1 1   26    3    7 o   41.752   4.1246   14.497   2.6672   14.266   3.7729   14.727   3.7711   40.070   6.2000   40.816   6.0722 -0.7459297 8.678253 
1 1 1   26    3    8 o   43.387   3.8786   15.591   2.6130   14.736   3.6936   16.448   3.6971   40.793   5.9444   43.430   5.5513 -2.637726 8.133470 
1 1 1   26    3    9 o   13.619   5.9977  -0.0672   2.4904   0.4805   3.5501  -0.5978   3.4944   16.435   7.2020   15.219   6.8741 1.216043 9.956002 
1 1 1   26    3   10 o   29.510   6.3313   8.0512   2.8442   9.9699   3.9008   5.8735   4.1559   31.656   7.8825   24.124   8.6472 7.532639 11.70073 
1 1 1   26    3   11 o   56.181   3.0825   25.756   2.7073   26.626   3.8536   24.907   3.8042   56.014   4.4197   54.070   4.5248 1.944164 6.325164 
1 1 1   26    3   12 o   22.306   6.5994   4.7581   2.4723   1.8946   3.4763   7.6886   3.5167   17.694   7.4225   27.466   7.7971 -9.772577 10.76510 
1 1 1   26    3   13 o   56.553   3.0916   26.203   2.7333   28.737   3.8768   23.697   3.8542   58.131   4.2797   52.305   4.7472 5.826164 6.391524 
1 1 1   26    3   14 o   32.934   5.1042   9.6939   2.5527   11.271   3.6418   8.1703   3.5793   33.745   7.1022   27.842   7.8534 5.902830 10.58855 
1 1 1   26    3   15 o   27.868   6.1420   7.5355   2.6136   7.0101   3.6890   8.0652   3.7035   24.847   8.1739   26.783   8.1136 -1.935858 11.51703 
1 1 1   26    3   16 o   16.844   6.7760   2.5580   2.7441   5.0472   3.8976   0.1114   3.8641   20.726   8.1605   15.244   7.0153 5.482016 10.76145 
1 1 1   26    3   17 o   13.808   6.1453   0.6283   2.6821   3.8723   3.8774  -2.3482   3.7141   18.642   7.8308   12.958   6.2312 5.684401 10.00749 
1 1 1   26    4    0 o   39.786   6.5068   13.918   3.7364   13.918   3.7364   13.918   3.7364   39.786   6.5068   39.786   6.5068 0.000000 0.000000 
1 1 1   26    4    1 o   46.352   4.1878   17.709   3.0134   16.163   4.4772   18.988   4.0745   42.573   6.9402   47.143   5.6178 -4.569492 8.928995 
1 1 1   26    4    2 o   67.678   3.2507   36.966   3.4424   37.890   4.7953   35.983   4.9445   67.637   4.5442   65.684   4.8307 1.953453 6.632105 
1 1 1   26    4    3 o   68.095   3.1775   37.402   3.3862   35.555   4.7373   39.333   4.8420   65.387   4.6470   68.904   4.5025 -3.517593 6.470510 
1 1 1   26    4    4 o   34.099   5.7367   10.119   2.9610   14.385   4.2114   5.9489   4.1638   39.932   6.9742   25.166   8.6849 14.76602 11.13851 
1 1 1   26    4    5 o   21.354   7.2141   4.0466   2.8700   6.5325   4.0657   1.5777   4.0519   26.045   8.5817   18.822   7.9610 7.223230 11.70572 
1 1 1   26    4    6 f   38.849   4.6009   12.718   2.7506   11.060   3.8583   14.430   3.9225   34.441   7.3619   40.184   6.4375 -5.742844 9.779470 
1 1 1   26    4    7 o   52.243   3.6538   22.404   2.9767   21.658   4.1892   23.166   4.2305   50.078   5.4167   51.935   5.2633 -1.857098 7.552698 
1 1 1   26    4    8 o   49.701   3.7668   20.399   2.9161   23.592   4.1204   17.194   4.1275   52.448   5.0692   43.846   6.1689 8.601807 7.984536 
1 1 1   26    4    9 o   21.970   6.8271   4.5271   2.6014   1.4506   3.5516   8.0880   3.8211   17.514   7.4326   28.326   8.1555 -10.81221 11.03427 
1 1 1   26    4   10 o   30.351   5.9102   8.3675   2.7137   8.5272   3.5641   8.1473   4.1861   29.318   7.6626   27.838   8.6620 1.479656 11.56486 
1 1 1   26    4   11 o   17.181   6.6079   2.3109   2.5087   3.0693   3.5317   1.5385   3.5643   19.420   7.7293   17.425   7.4222 1.994751 10.71589 
1 1 1   26    4   12 o   62.390   2.9003   31.678   2.8319   32.748   4.0147   30.618   3.9951   62.310   4.1290   60.106   4.2632 2.204800 5.934945 
1 1 1   26    4   13 o   23.393   6.4864   5.2780   2.4641   4.8058   3.4993   5.7423   3.4703   21.872   7.9225   23.538   7.9327 -1.665800 11.21133 
1 1 1   26    4   14 o   68.040   2.8279   37.803   3.0130   34.377   4.2278   41.338   4.2949   63.308   4.2806   69.903   3.9310 -6.595425 5.811774 
1 1 1   26    4   15 o   15.451   6.5009   1.5022   2.6792   4.5055   3.6404  -2.0467   3.9572   20.510   7.9408   14.051   6.6662 6.459419 10.36795 
1 1 1   26    4   16 o   19.594   7.0333   4.1579   2.7504   1.4993   3.9368   6.6927   3.8441   16.469   7.3791   23.120   8.3129 -6.650469 11.11560 
1 1 1   26    4   17 o   16.012   6.4706   2.3599   2.5147   6.1341   3.5719  -1.3488   3.5408   21.950   7.9964   13.314   6.3134 8.636503 10.18833 
1 1 1   26    5    0 o   27.841   9.7899   8.5974   3.8788   8.5974   3.8788   8.5974   3.8788   27.841   9.7899   27.841   9.7899 0.000000 0.000000 
1 1 1   26    5    1 o   63.513   2.9291   32.421   2.9116   29.197   4.0923   35.727   4.1435   59.370   4.4241   66.000   4.0196 -6.630592 5.977468 
1 1 1   26    5    2 o   95.075   2.4010   72.049   3.5794   70.150   5.0146   74.021   5.1109   93.054   3.4399   95.614   3.4117 -2.560532 4.844827 
1 1 1   26    5    3 o   16.348   6.6485   1.3993   2.6744  -1.9458   3.7576   4.8331   3.8071   14.838   6.8603   23.200   8.2809 -8.362700 10.75349 
1 1 1   26    5    4 o   70.408   3.0641   39.988   3.3775   42.391   4.6988   37.420   4.8582   71.652   4.1972   66.927   4.6546 4.724915 6.267471 
1 1 1   26    5    5 o   85.223   2.7316   58.288   3.6485   58.128   5.1648   58.447   5.1547   84.118   3.9233   84.368   3.9039 -0.2498856 5.534679 
1 1 1   26    5    6 o   35.629   5.4222   11.037   2.9362   13.618   4.1320   8.4037   4.1733   38.393   7.1201   29.004   8.5726 9.389189 11.14387 
1 1 1   26    5    7 f   68.248   3.0729   37.745   3.2827   37.825   4.7552   37.673   4.5374   67.079   4.5442   67.149   4.3290 -0.7012177E-01 6.276097 
1 1 1   26    5    8 o   46.160   4.0194   17.765   2.8826   14.776   4.0385   20.868   4.1158   40.128   6.6456   48.897   5.4566 -8.769695 8.598719 
1 1 1   26    5    9 o   69.329   2.8837   38.933   3.1306   40.130   4.3600   37.659   4.4979   69.376   4.0219   66.914   4.3062 2.462326 5.892306 
1 1 1   26    5   10 o   45.291   4.0638   17.239   2.8577   18.061   3.9983   16.381   4.0860   44.890   5.8120   42.231   6.3628 2.658932 8.617626 
1 1 1   26    5   11 o   16.476   6.6028   1.8640   2.5952   1.4846   3.5491   2.3000   3.8044   17.293   7.3873   18.600   7.7812 -1.307449 10.72937 
1 1 1   26    5   12 o   61.482   3.0975   30.945   2.9790   32.389   4.2191   29.511   4.2068   61.638   4.3905   58.586   4.6129 3.052673 6.368256 
1 1 1   26    5   13 o   37.935   4.8968   12.663   2.8472   14.217   3.9347   10.955   4.1251   38.472   6.7640   32.235   8.1509 6.236919 10.59194 
1 1 1   26    5   14 o   18.047   6.9624   2.9103   2.7913   5.2246   3.6700  -0.2657   4.2993   22.061   8.0946   16.130   7.4145 5.930716 10.97711 
1 1 1   26    5   15 o   37.950   4.9386   13.101   2.8715   9.4369   4.0086   16.962   4.1152   28.196   8.4187   41.206   6.5855 -13.01037 10.68850 
1 1 1   26    5   16 o   14.245   6.1219   1.1453   2.4643   1.4923   3.4800   0.7963   3.4902   15.892   7.0402   15.198   6.8667 0.6939640 9.834416 
1 1 1   26    6    0 o   69.459   3.9289   39.010   4.2510   39.010   4.2510   39.010   4.2510   69.459   3.9289   69.459   3.9289 0.000000 0.000000 
1 1 1   26    6    1 o   18.955   6.7263   2.9729   2.5084   5.9015   3.5667   0.1067   3.5285   25.024   8.0229   16.292   7.1583 8.732244 10.75216 
1 1 1   26    6    2 o   65.794   2.8608   34.806   2.9467   39.160   4.1800   30.504   4.1546   69.117   3.8693   60.596   4.3989 8.520500 5.858470 
1 1 1   26    6    3 o   15.036   6.2950   0.8235   2.4929   1.0609   3.5252   0.5860   3.5257   17.335   7.3825   16.775   7.2662 0.5603237 10.35855 
1 1 1   26    6    4 f   99.404   2.3269   78.780   3.6298   72.813   5.0525   85.145   5.2182   94.658   3.4069  102.530   3.2473 -7.871445 4.706518 
1 1 1   26    6    5 o   66.345   3.0563   35.607   3.1735   39.310   4.5203   32.008   4.4564   68.808   4.2063   61.704   4.6361 7.104401 6.259898 
1 1 1   26    6    6 o   76.934   2.6928   47.594   3.2461   49.107   4.6124   46.109   4.5691   77.216   3.8182   74.731   3.9097 2.485283 5.464824 
1 1 1   26    6    7 o   39.993   4.8297   13.699   2.9699   18.393   4.3268   9.5183   4.0838   45.206   6.2675   30.790   8.2751 14.41546 10.38075 
1 1 1   26    6    8 o   95.727   2.5478   73.648   3.8240   75.497   5.4177   71.813   5.3982   95.788   3.6105   93.318   3.6935 2.469612 5.165072 
1 1 1   26    6    9 o   35.663   5.4585   11.280   2.9579   13.508   4.2791   9.2420   4.0933   37.221   7.5835   29.876   8.3882 7.344912 11.30805 
1 1 1   26    6   10 o   46.146   3.9624   17.868   2.8417   14.790   3.9215   21.271   4.1235   39.903   6.4848   49.021   5.4523 -9.118225 8.472338 
1 1 1   26    6   11 o   31.166   6.0189   8.9592   2.8372   5.4816   4.1171   12.104   3.9154   23.099   8.5563   35.139   7.3375 -12.03930 11.27162 
1 1 1   26    6   12 o   13.425   6.1103  -0.6960   2.8260  -1.4659   3.9735   0.0920   4.0199   14.991   6.9734   16.373   7.3861 -1.382642 10.15792 
1 1 1   26    6   13 f   20.364   7.2819   4.0714   2.9453   3.0170   4.0370   5.2712   4.3065   19.274   8.0357   22.304   8.6364 -3.030169 11.79660 
1 1 1   26    6   14 o   32.518   6.1211   10.166   3.0090   8.3417   4.0568   12.397   4.4863   26.690   8.5563   32.977   8.5861 -6.287094 12.12155 
1 1 1   26    6   15 o   11.797   5.5727  -1.6375   2.7084  -3.7901   3.8059   0.5710   3.8550   12.507   6.0840   15.643   7.1265 -3.136468 9.370280 
1 1 1   26    6   16 o   23.863   6.9554   6.3516   2.7636   10.566   3.9248   2.2067   3.8921   29.315   8.2077   16.825   7.4500 12.48954 11.08467 
1 1 1   26    7    0 o   13.209   8.2461   1.3594   3.4898   1.3594   3.4898   1.3594   3.4898   13.209   8.2461   13.209   8.2461 0.000000 0.000000 
1 1 1   26    7    1 o   35.150   4.8828   10.529   2.6208   9.5187   3.6873   11.560   3.7257   31.763   7.5154   35.534   6.9302 -3.770964 10.22298 
1 1 1   26    7    2 o   30.355   5.6431   8.1055   2.5892   6.5566   3.6542   9.6672   3.6693   26.037   8.0916   32.036   7.4413 -5.998970 10.99309 
1 1 1   26    7    3 o   68.517   2.7300   37.737   2.9296   42.469   4.1883   33.204   4.0992   71.966   3.7211   63.280   4.1508 8.686581 5.574618 
1 1 1   26    7    4 o   21.350   6.7975   4.1643   2.5638   6.2039   3.6586   2.1963   3.5938   25.236   8.1289   18.730   7.6728 6.506279 11.17819 
1 1 1   26    7    5 f   86.780   2.3365   60.199   3.1791   56.258   4.4746   64.217   4.5175   82.999   3.4428   88.878   3.2443 -5.879288 4.730635 
1 1 1   26    7    6 o   17.977   6.8675   2.5147   2.6975   0.2288   3.7582   4.9438   3.8741   16.528   7.3195   22.828   8.3261 -6.299988 11.08598 
1 1 1   26    7    7 o   54.126   3.4711   24.078   2.9328   21.137   4.1131   27.119   4.1830   49.140   5.4239   56.349   4.7753 -7.208744 7.226471 
1 1 1   26    7    8 o   14.289   6.2529   0.2163   2.6676  -0.2806   3.7524   0.7241   3.7930   15.859   7.1469   16.930   7.4309 -1.070783 10.31001 
1 1 1   26    7    9 o   73.823   2.8086   44.166   3.2479   43.277   4.6478   45.014   4.5404   71.750   4.1454   73.396   3.9567 -1.645683 5.730588 
1 1 1   26    7   10 o   34.685   5.6878   10.872   2.9887   13.571   4.2668   8.2730   4.1875   37.028   7.5977   27.692   8.6706 9.336102 11.52845 
1 1 1   26    7   11 o   36.204   5.9339   12.017   3.2546   9.4677   4.3753   15.175   4.8698   29.364   8.8019   38.201   8.3563 -8.837034 12.13674 
1 1 1   26    7   12 o   11.756   5.6085  -2.6642   2.8800  -3.7195   4.2856  -1.7952   3.8890   13.955   6.7061   14.516   6.8005 -0.5611506 9.550863 
1 1 1   26    7   13 o   16.618   6.6095   2.1761   2.5808   0.3296   3.6255   4.0730   3.6746   15.700   7.0543   20.292   7.9434 -4.591889 10.62360 
1 1 1   26    7   14 o   16.127   6.6031   2.0251   2.6597   5.6719   3.9611  -0.9691   3.5892   21.995   8.3411   14.155   6.5992 7.839911 10.63592 
1 1 1   26    7   15 o   34.810   5.0374   11.285   2.6719   14.741   4.0432   8.6064   3.5599   37.016   7.2198   26.972   7.9032 10.04342 10.70446 
1 1 1   26    7   16 o   37.155   4.6493   12.726   2.6517   13.079   3.7772   12.383   3.7234   34.293   7.2459   33.184   7.3444 1.109352 10.31716 
1 1 1   26    8    0 o   31.006   8.7675   9.8330   3.6939   9.8330   3.6939   9.8330   3.6939   31.006   8.7675   31.006   8.7675 0.000000 0.000000 
1 1 1   26    8    1 o   44.713   3.9467   16.576   2.7409   17.672   3.9102   15.518   3.8430   44.957   5.6681   41.825   6.0289 3.131161 8.274975 
1 1 1   26    8    2 o   16.263   6.5394   1.5963   2.5546   2.9567   3.6345   0.2681   3.5913   19.794   7.8530   16.369   7.2061 3.424408 10.65816 
1 1 1   26    8    3 o   19.077   6.8117   3.1212   2.5763   3.6888   3.6670   2.5679   3.6202   20.866   7.9981   19.191   7.7605 1.674915 11.14434 
1 1 1   26    8    4 o   30.938   5.5778   8.4825   2.6085   9.5258   3.6744   7.4224   3.7037   31.414   7.5477   27.307   8.0772 4.106983 11.05480 
1 1 1   26    8    5 o   14.293   6.1731   0.3873   2.5301  -1.7628   3.5731   2.5496   3.5832   14.308   6.6412   18.999   7.7070 -4.690459 10.17365 
1 1 1   26    8    6 o   41.958   4.0121   14.740   2.6096   15.325   3.6941   14.157   3.6871   41.411   5.8470   39.543   6.1408 1.867836 8.479174 
1 1 1   26    8    7 o   16.997   6.5374   2.2146   2.4557   6.1144   3.5273  -1.4535   3.4209   24.624   7.9859   14.153   6.5443 10.47128 10.32486 
1 1 1   26    8    8 o   40.067   4.5387   13.760   2.8036   9.8469   3.8688   18.087   4.0686   31.209   7.8949   44.734   5.9426 -13.52486 9.881434 
1 1 1   26    8    9 o   53.910   3.9925   24.420   3.3537   23.882   4.5080   25.088   5.0187   51.656   5.6532   52.276   6.2408 -0.6198845 8.420632 
1 1 1   26    8   10 o   57.934   3.8813   28.144   3.5083   24.899   4.9538   31.409   4.9692   52.014   6.1902   59.513   5.3787 -7.499062 8.200553 
1 1 1   26    8   11 o   22.348   7.6144   5.0715   3.1979   2.8015   4.9476   6.7003   4.1911   19.906   8.6149   24.691   8.7006 -4.785316 12.24412 
1 1 1   26    8   12 o   34.737   5.6335   11.088   2.9659   11.769   4.1810   10.398   4.2079   33.269   8.0879   30.715   8.4609 2.554379 11.70471 
1 1 1   26    8   13 o   13.974   6.2081   0.2881   2.7250  -1.2394   3.8257   1.8612   3.8823   14.461   6.7652   17.340   7.5665 -2.879160 10.14983 
1 1 1   26    8   14 o   12.333   5.7025  -0.7737   2.5971   0.5561   3.7064  -2.0566   3.6403   15.426   7.0118   13.264   6.3217 2.161116 9.440847 
1 1 1   26    8   15 f   37.170   4.4312   12.516   2.5339   16.620   3.6457   8.6816   3.5244   41.023   5.8267   26.826   7.8644 14.19703 9.787717 
1 1 1   26    9    0 o   57.727   4.6031   27.572   4.1072   27.572   4.1072   27.572   4.1072   57.727   4.6031   57.727   4.6031 0.000000 0.000000 
1 1 1   26    9    1 o   53.828   3.2840   23.663   2.7609   24.804   3.9257   22.547   3.8836   54.054   4.6737   51.352   4.8776 2.702381 6.755390 
1 1 1   26    9    2 o   17.379   6.6253   2.3211   2.5072   3.2770   3.5958   1.4166   3.4978   20.067   7.8571   17.417   7.3830 2.650316 10.78159 
1 1 1   26    9    3 o   37.995   4.5460   12.295   2.6568   15.335   3.7774   9.3192   3.7375   41.365   5.9935   30.780   7.7450 10.58553 9.793231 
1 1 1   26    9    4 o   23.737   6.6286   5.3148   2.5634   7.1946   3.6311   3.4472   3.6193   26.725   8.0201   20.238   7.8947 6.487257 11.25383 
1 1 1   26    9    5 o   49.960   3.7814   20.744   2.9427   18.557   3.9030   23.625   4.4795   45.822   5.5400   51.674   5.6141 -5.852318 7.887301 
1 1 1   26    9    6 o   38.334   4.8901   12.750   2.8749   10.506   4.1127   14.894   4.0202   32.092   8.1519   39.975   6.6413 -7.883476 10.51475 
1 1 1   26    9    7 o   13.884   6.2412  -0.3922   2.8418  -4.0129   4.0647   3.0700   3.9748   13.558   6.5195   19.761   8.0793 -6.203483 10.38168 
1 1 1   26    9    8 o   16.234   6.7828   1.4490   2.8853  -0.3100   4.0220   3.3142   4.1416   16.119   7.3181   20.107   8.2369 -3.987787 11.01825 
1 1 1   26    9    9 o   46.002   4.0501   17.888   2.8940   15.265   4.0245   20.698   4.1646   40.229   6.6037   47.972   5.6395 -7.743393 8.684101 
1 1 1   26    9   10 o   17.721   6.7997   2.6393   2.6522   3.1762   3.7767   2.1168   3.7254   19.451   7.9043   18.056   7.6351 1.395306 10.98971 
1 1 1   26    9   11 o   26.245   6.9275   6.8895   2.8945   15.181   4.5978   1.4462   3.7253   38.276   7.9160   17.120   7.4419 21.15615 10.86486 
1 1 1   26    9   12 o   17.712   6.8073   2.8306   2.6612  -0.8324   3.7471   6.5585   3.7801   14.738   6.8268   24.032   8.2759 -9.294480 10.72825 
1 1 1   26    9   13 o   29.167   6.0512   8.3659   2.6788   9.5796   3.8002   7.1671   3.7768   28.788   8.0823   24.388   8.2754 4.400032 11.56743 
1 1 1   26    9   14 o   15.307   6.4260   1.7694   2.6084   3.4899   3.6624  -0.0018   3.7160   18.296   7.6428   14.739   6.8174 3.556364 10.24160 
1 1 1   26    9   15 o   13.467   5.9747   0.6451   2.5154  -1.8649   3.5116   3.2902   3.6049   12.843   6.1449   17.681   7.4952 -4.838504 9.692188 
1 1 1   26   10    0 o   57.916   4.4841   27.754   4.0179   27.754   4.0179   27.754   4.0179   57.916   4.4841   57.916   4.4841 0.000000 0.000000 
1 1 1   26   10    1 o   12.624   5.7680  -0.9809   2.5498  -4.4207   3.6253   2.3865   3.5869   12.488   6.0425   18.656   7.6567 -6.168067 9.753810 
1 1 1   26   10    2 o   50.492   3.5879   21.072   2.8244   17.648   3.9968   24.488   3.9920   44.362   5.8862   53.400   4.8153 -9.038345 7.604858 
1 1 1   26   10    3 o   36.022   5.7204   11.637   3.1258   11.127   4.1246   12.325   4.7908   33.262   8.0001   34.161   8.8619 -0.8990097 11.93881 
1 1 1   26   10    4 o   69.789   3.2345   39.867   3.5328   37.428   4.9669   42.364   5.0259   65.966   4.8314   70.525   4.5657 -4.558258 6.647447 
1 1 1   26   10    5 o   51.674   4.4492   22.748   3.5729   20.586   4.6117   25.994   5.6509   47.273   6.3791   52.345   7.0589 -5.072411 9.514245 
1 1 1   26   10    6 o   37.045   5.2253   12.134   2.9534   12.184   4.1960   12.085   4.1578   34.753   7.8765   34.655   7.8304 0.9807968E-01 11.10649 
1 1 1   26   10    7 o   15.845   6.6464   1.3032   2.7872   2.4271   3.7549  -0.0758   4.1593   18.612   7.7541   16.506   7.4731 2.106287 10.76912 
1 1 1   26   10    8 o   45.378   4.1041   17.456   2.8911   13.805   4.0421   21.281   4.1367   37.709   7.0907   48.759   5.5022 -11.05013 8.975091 
1 1 1   26   10    9 o   13.100   5.8921  -0.3594   2.5364   1.3677   3.5995  -2.0629   3.5747   17.002   7.3532   13.745   6.4648 3.257340 9.791003 
1 1 1   26   10   10 o   36.261   4.6412   11.514   2.5806   12.557   3.5562   10.354   3.7506   36.214   6.4963   31.660   7.6375 4.553963 10.02663 
1 1 1   26   10   11 o   17.798   7.0475   2.7603   2.9219  -0.5479   4.1016   6.1691   4.1635   15.538   7.1781   23.184   8.6013 -7.646581 11.20299 
1 1 1   26   10   12 f   23.253   6.5965   5.5910   2.5179   7.2289   3.5681   3.9662   3.5537   24.933   8.0274   19.482   7.7535 5.450603 11.16046 
1 1 1   26   10   13 o   14.680   6.1935   1.4447   2.4422   0.5907   3.3901   2.3661   3.5213   14.912   6.7495   16.947   7.3007 -2.034565 9.942638 
1 1 1   26   10   14 o   22.545   6.5951   5.5697   2.4808   4.5629   3.4788   6.6115   3.5387   19.461   7.6950   22.717   7.9957 -3.255630 11.09699 
1 1 1   26   11    0 o   16.100   9.5425   3.3396   4.1754   3.3396   4.1754   3.3396   4.1754   16.100   9.5425   16.100   9.5425 0.000000 0.000000 
1 1 1   26   11    1 o   52.073   4.3190   22.999   3.4977   21.227   5.0790   24.598   4.8239   47.248   7.0667   52.122   6.0073 -4.874241 9.275043 
1 1 1   26   11    2 o   22.233   7.8531   4.8730   3.4159   1.8746   4.4793   9.0402   5.2807   18.877   8.1833   27.971   9.7733 -9.093895 12.74690 
1 1 1   26   11    3 o   62.070   4.3785   32.742   4.2376   37.831   6.0637   27.884   5.9245   64.564   6.0554   53.983   7.1705 10.58047 9.385342 
1 1 1   26   11    4 o   19.894   7.3129   3.6441   2.9977   4.4494   4.2578   2.8527   4.2211   21.644   8.5270   19.608   8.1991 2.035990 11.82943 
1 1 1   26   11    5 o   48.343   4.2581   19.874   3.1974   20.528   4.5861   19.255   4.4602   47.012   6.3808   45.466   6.4304 1.545525 9.058909 
1 1 1   26   11    6 o   29.001   6.0703   7.8431   2.6739   4.1140   3.7319   11.777   3.8330   20.853   8.0490   34.568   7.2953 -13.71506 10.86319 
1 1 1   26   11    7 o   29.127   5.9184   7.8744   2.6129   8.8815   3.6147   6.7723   3.7813   29.377   7.7356   25.153   8.2755 4.223213 11.32806 
1 1 1   26   11    8 o   14.070   6.1022   0.5074   2.4930  -2.9444   3.4257   4.3933   3.6348   12.776   6.1011   21.060   7.9893 -8.284019 10.05250 
1 1 1   26   11    9 o   20.589   6.9959   4.2052   2.6993   8.1958   4.1108   1.1804   3.5790   26.916   8.6115   16.595   7.2525 10.32160 11.25863 
1 1 1   26   11   10 o   14.693   6.2248   1.1050   2.4841   0.7859   3.5079   1.4260   3.5183   15.873   7.0481   16.582   7.2198 -0.7087831 10.08967 
1 1 1   26   11   11 o   39.456   4.8342   14.078   2.9308   15.302   3.9655   12.603   4.3507   38.920   6.7364   33.048   8.3786 5.871143 10.75084 
1 1 1   26   11   12 o   14.931   6.2618   1.5757   2.4731   4.4554   3.5443  -1.1569   3.4526   19.738   7.7787   13.504   6.3521 6.234270 10.04280 
1 1 1   26   11   13 o   41.923   4.0120   15.578   2.6073   18.490   3.7430   12.833   3.6340   43.459   5.6198   34.370   6.9761 9.089199 8.958107 
1 1 1   26   12    0 o   65.468   4.8508   35.842   4.9193   35.842   4.9193   35.842   4.9193   65.468   4.8508   65.468   4.8508 0.000000 0.000000 
1 1 1   26   12    1 o   16.422   7.0630   1.1623   3.2851  -1.7688   4.6441   4.0976   4.6475   15.909   7.4461   21.277   8.7219 -5.367928 11.46799 
1 1 1   26   12    2 o   40.046   5.2142   14.212   3.1991   16.509   4.5732   12.010   4.4769   41.034   7.3727   33.662   8.4802 7.372395 11.23703 
1 1 1   26   12    3 o   16.261   6.9626   1.1996   3.1660   5.9244   4.6287  -2.9544   4.3402   23.544   8.9955   14.602   6.9432 8.941606 11.36344 
1 1 1   26   12    4 o   30.460   6.1690   8.6907   2.8477   12.727   4.0822   4.8645   3.9743   35.687   7.5265   21.982   8.3507 13.70430 11.24196 
1 1 1   26   12    5 o   16.060   6.7419   1.4269   2.8713   6.6480   4.3156  -2.7199   3.8461   24.558   8.8107   13.812   6.5585 10.74600 10.98373 
1 1 1   26   12    6 o   31.140   5.9363   9.0197   2.7951   8.5408   3.9638   9.4934   3.9419   28.012   8.3734   29.820   8.1791 -1.807537 11.70520 
1 1 1   26   12    7 o   18.273   6.8916   2.9964   2.6954   0.3002   3.8649   5.5496   3.7610   16.147   7.2668   22.787   8.2188 -6.640121 10.97065 
1 1 1   26   12    8 o   26.866   6.5704   7.1189   2.7468   3.4098   3.8256   11.065   3.9462   19.433   7.9334   32.327   7.8566 -12.89437 11.16534 
1 1 1   26   12    9 o   11.895   5.7193  -2.9815   3.1266  -2.2729   4.3606  -3.7314   4.4855   14.606   6.9491   13.949   6.7425 0.6570597 9.682542 
1 1 1   26   12   10 f   22.817   6.9464   5.5669   2.7101   3.2616   3.8432   7.8471   3.8222   18.554   7.7952   25.532   8.3155 -6.977625 11.39788 
1 1 1   26   12   11 o   14.893   6.5035   1.1967   2.8730   1.3817   3.8082   0.9524   4.3769   16.132   7.2406   16.292   7.4863 -0.1603413 10.41492 
1 1 1   26   12   12 f   28.308   6.3108   8.3683   2.7319   9.9151   3.8941   6.8690   3.8337   27.929   8.2875   22.723   8.2833 5.205812 11.71728 
1 1 1   26   13    0 o   10.974   7.3721  -0.5568   3.5926  -0.5568   3.5926  -0.5568   3.5926   10.974   7.3721   10.974   7.3721 0.000000 0.000000 
1 1 1   26   13    1 o   30.385   5.8051   8.5267   2.6672   8.9049   3.7884   8.1550   3.7558   29.034   8.0398   27.657   8.1214 1.376764 11.42790 
1 1 1   26   13    2 o   15.481   6.4406   1.3599   2.5854   2.6010   3.6096   0.0524   3.7048   18.498   7.6453   15.761   7.1020 2.737582 10.43500 
1 1 1   26   13    3 o   37.496   4.9868   12.446   2.8617   15.996   4.1140   9.1171   3.9831   40.920   6.6334   29.018   8.3179 11.90241 10.63909 
1 1 1   26   13    4 o   18.190   6.8996   2.9310   2.7106   6.3382   3.8749  -0.3340   3.7932   24.095   8.3750   15.485   7.0601 8.610122 10.95374 
1 1 1   26   13    5 o   33.728   6.0413   10.680   3.0802   13.378   4.8296   8.8299   3.9990   34.570   8.8618   28.248   8.4025 6.322386 12.21203 
1 1 1   26   13    6 f   25.779   6.8225   6.6775   2.8027   10.181   3.9842   3.2457   3.9433   30.593   8.1520   19.296   7.9845 11.29672 11.41085 
1 1 1   26   13    7 o   16.003   6.5920   1.8011   2.6714   1.6705   3.8616   1.9210   3.6994   17.223   7.5302   17.329   7.4744 -0.1058331 10.60988 
1 1 1   26   13    8 o   23.552   6.6687   5.7212   2.5758   6.7249   3.6084   4.6784   3.6781   24.098   8.0889   20.652   7.9856 3.445904 11.36659 
1 1 1   26   13    9 o   12.785   5.8508  -0.4093   2.6367   1.2222   3.5020  -2.5446   4.0065   15.832   7.0355   13.545   6.5029 2.286963 9.580457 
1 1 1   26   13   10 o   14.880   6.2693   1.5778   2.4971   1.1596   3.4918   2.0156   3.5724   15.508   6.9491   16.482   7.2235 -0.9737043 10.02345 
1 1 1   26   13   11 o   15.334   6.4411   1.9272   2.6233  -2.1068   3.5668   6.6805   3.8718   12.769   6.1317   22.265   8.2879 -9.495889 10.30958 
1 1 1   26   14    0 o   10.362   7.1015  -1.4193   3.6914  -1.4193   3.6914  -1.4193   3.6914   10.362   7.1015   10.362   7.1015 0.000000 0.000000 
1 1 1   26   14    1 o   25.721   6.4670   6.4804   2.6072   8.0829   3.7136   4.9227   3.6613   27.219   8.0971   21.660   8.0601 5.559248 11.42493 
1 1 1   26   14    2 o   17.768   6.7373   2.8139   2.5841   3.1119   3.6606   2.5179   3.6484   18.960   7.7528   18.180   7.6137 0.7801266 10.86624 
1 1 1   26   14    3 o   11.563   5.4502  -1.8215   2.5656  -0.8694   3.6653  -2.7362   3.5924   14.659   6.7769   13.119   6.2601 1.539835 9.225798 
1 1 1   26   14    4 o   22.797   6.8356   5.2977   2.6385   7.4593   3.8023   3.2902   3.6643   25.655   8.2891   19.046   7.7686 6.609304 11.36043 
1 1 1   26   14    5 o   14.107   6.2348   0.4082   2.7137  -3.2498   4.1844   3.0635   3.5650   13.726   6.6039   18.538   7.6233 -4.811838 10.08595 
1 1 1   26   14    6 o   13.375   5.9944   0.0616   2.6000   0.5218   3.7184  -0.3788   3.6370   15.650   7.0776   14.730   6.7885 0.9200048 9.806952 
1 1 1   26   14    7 o   13.370   6.0429  -0.0085   2.7057   3.5788   3.8215  -3.6142   3.8313   18.817   7.8296   12.657   6.1450 6.159464 9.953094 
1 1 1   26   14    8 o   24.325   6.8578   6.4364   2.7300   8.1728   3.9110   4.7863   3.8126   25.315   8.4197   20.078   8.0176 5.237314 11.62642 
1 1 1   26   14    9 o   18.718   7.0933   3.9082   2.8634   4.3113   3.9569   3.4651   4.1488   19.100   7.9588   18.155   7.8730 0.9443550 11.19491 
1 1 1   26   14   10 o   13.751   6.1145   0.7636   2.6497   1.5232   3.7848   0.0333   3.7108   15.787   7.1400   14.434   6.7229 1.352395 9.806963 
1 1 1   26   15    0 o   16.843   9.3272   4.2559   3.6129   4.2559   3.6129   4.2559   3.6129   16.843   9.3272   16.843   9.3272 0.000000 0.000000 
1 1 1   26   15    1 o   14.663   6.2664   1.0964   2.5558  -0.2818   3.5810   2.5276   3.6490   14.778   6.7835   17.780   7.5391 -3.001612 10.14163 
1 1 1   26   15    2 o   46.029   3.8619   18.197   2.7639   14.610   3.8946   21.837   3.9229   38.078   6.7655   48.807   5.2018 -10.72959 8.534075 
1 1 1   26   15    3 o   14.619   6.2455   1.1492   2.5371   6.1020   3.6063  -3.7049   3.5701   22.847   8.0690   12.214   5.9303 10.63235 10.01388 
1 1 1   26   15    4 o   17.447   6.6595   2.9372   2.5352   2.8237   3.5934   3.0496   3.5772   17.812   7.5136   18.088   7.5545 -0.2757797 10.65478 
1 1 1   26   15    5 o   17.290   6.6480   2.9230   2.5389   4.9835   3.5880   0.8567   3.5931   20.614   7.9090   15.495   6.9872 5.118658 10.55333 
1 1 1   26   15    6 o   20.740   6.8277   4.7293   2.5737   7.2831   3.6726   2.2648   3.6078   24.077   8.1606   16.802   7.3134 7.275326 10.95813 
1 1 1   26   15    7 o   13.938   6.0810   0.9712   2.5069  -1.6579   3.5119   3.7026   3.5797   13.053   6.2177   18.330   7.5982 -5.277390 9.817986 
1 1 1   26   15    8 f   10.566   5.0898  -2.2821   2.5038  -5.3910   3.4827   1.0437   3.6021   10.812   5.3664   15.198   6.9099 -4.385312 8.749035 
1 1 1   26   15    9 o   12.362   5.6534  -0.1158   2.4564   0.1271   3.4689  -0.3602   3.4789   14.126   6.5522   13.741   6.4359 0.3845882 9.184299 
1 1 1   26   16    0 o   17.399   9.4449   4.8323   3.6268   4.8323   3.6268   4.8323   3.6268   17.399   9.4449   17.399   9.4449 0.000000 0.000000 
1 1 1   26   16    1 o   26.402   6.5465   7.3458   2.6990   6.6308   3.8124   8.0641   3.8214   22.782   8.2668   25.211   8.3205 -2.429001 11.72909 
1 1 1   26   16    2 f   16.760   6.5835   2.7249   2.5316   1.2828   3.5454   4.2250   3.6160   15.674   7.0143   19.211   7.7606 -3.537116 10.46079 
1 1 1   26   16    3 o   14.176   6.1711   1.0484   2.5694  -0.0220   3.6335   2.1190   3.6338   14.527   6.7271   16.557   7.2700 -2.029481 9.904852 
1 1 1   26   16    4 o   11.105   5.2739  -1.6427   2.4893  -4.3167   3.5589   0.9186   3.4831   11.541   5.6707   15.108   6.8397 -3.567012 8.884715 
1 1 1   26   16    5 o   9.6085   4.7296  -3.7757   2.5127  -4.1910   3.5664  -3.3663   3.5406   11.558   5.6783   11.952   5.8262 -0.3942871 8.135574 
1 1 1   26   16    6 o   11.562   5.4301  -1.0442   2.5056  -0.6020   3.5696  -1.4738   3.5179   13.718   6.4546   13.015   6.2062 0.7026882 8.954314 
1 1 1   26   16    7 o   14.096   6.1975   1.1334   2.6485   1.5970   3.7602   0.6770   3.7311   15.675   7.1003   14.842   6.8531 0.8323278 9.868046 
1 1 1   26   17    0 o   13.265   8.3639   2.3688   3.6875   2.3688   3.6875   2.3688   3.6875   13.265   8.3639   13.265   8.3639 0.000000 0.000000 
1 1 1   26   17    1 o   17.387   6.7954   3.2987   2.6858   0.8560   3.7486   5.8751   3.8498   15.072   6.9264   20.762   8.1296 -5.690350 10.68016 
1 1 1   26   17    2 o   19.881   6.8801   4.6028   2.6138   5.7578   3.6735   3.4184   3.7199   20.717   7.9886   17.584   7.5384 3.133383 10.98387 
1 1 1   26   17    3 o   12.705   5.8013   0.0303   2.5738  -2.6836   3.6339   2.7624   3.6461   12.365   5.9988   16.775   7.3261 -4.410060 9.468753 
1 1 1   26   17    4 o   11.276   5.4736  -2.7439   3.0375  -3.5404   4.5343  -2.0955   4.0912   13.143   6.4460   13.319   6.4385 -0.1761999 9.110696 
1 1 1   27    0    1 o   29.476   8.6912   8.9832   3.4944   8.9832   3.4944   8.9832   3.4944   29.476   8.6912   29.476   8.6912 0.000000 0.000000 
1 1 1   27    0    2 o   31.624   8.5482   10.056   3.6660   10.056   3.6660   10.056   3.6660   31.624   8.5482   31.624   8.5482 0.000000 0.000000 
1 1 1   27    0    3 o  100.224   3.1337   80.295   4.9178   80.295   4.9178   80.295   4.9178  100.224   3.1337  100.224   3.1337 0.000000 0.000000 
1 1 1   27    0    4 o   31.134   10.584   10.981   4.6336   10.981   4.6336   10.981   4.6336   31.134   10.584   31.134   10.584 0.000000 0.000000 
1 1 1   27    0    5 o  109.457   2.9699   95.638   5.0929   95.638   5.0929   95.638   5.0929  109.457   2.9699  109.457   2.9699 0.000000 0.000000 
1 1 1   27    0    6 o   19.159   9.5169   4.9173   3.4588   4.9173   3.4588   4.9173   3.4588   19.159   9.5169   19.159   9.5169 0.000000 0.000000 
1 1 1   27    0    7 o   62.489   4.4003   32.167   4.2651   32.167   4.2651   32.167   4.2651   62.489   4.4003   62.489   4.4003 0.000000 0.000000 
1 1 1   27    0    8 o   43.837   6.5557   17.145   4.2130   17.145   4.2130   17.145   4.2130   43.837   6.5557   43.837   6.5557 0.000000 0.000000 
1 1 1   27    0    9 o   58.363   4.8183   28.466   4.3415   28.466   4.3415   28.466   4.3415   58.363   4.8183   58.363   4.8183 0.000000 0.000000 
1 1 1   27    0   10 o   13.819   8.6943   1.7154   3.9606   1.7154   3.9606   1.7154   3.9606   13.819   8.6943   13.819   8.6943 0.000000 0.000000 
1 1 1   27    0   11 o   15.454   8.9321   3.1613   3.5078   3.1613   3.5078   3.1613   3.5078   15.454   8.9321   15.454   8.9321 0.000000 0.000000 
1 1 1   27    0   12 o   8.9953   6.2940  -2.5652   3.3074  -2.5652   3.3074  -2.5652   3.3074   8.9953   6.2940   8.9953   6.2940 0.000000 0.000000 
1 1 1   27    0   13 o   11.634   7.5632   0.6958   3.3163   0.6958   3.3163   0.6958   3.3163   11.634   7.5632   11.634   7.5632 0.000000 0.000000 
1 1 1   27    0   14 o   12.092   7.9235   0.8522   3.7444   0.8522   3.7444   0.8522   3.7444   12.092   7.9235   12.092   7.9235 0.000000 0.000000 
1 1 1   27    0   15 o   19.299   10.067   6.0598   3.9827   6.0598   3.9827   6.0598   3.9827   19.299   10.067   19.299   10.067 0.000000 0.000000 
1 1 1   27    1    0 o   55.666   4.4658   25.517   3.8416   25.517   3.8416   25.517   3.8416   55.666   4.4658   55.666   4.4658 0.000000 0.000000 
1 1 1   27    1    1 o   44.420   3.8558   16.309   2.6612   14.058   3.7412   18.614   3.7861   39.684   6.2110   46.488   5.2833 -6.804169 8.154132 
1 1 1   27    1    2 o   28.497   5.8054   7.2434   2.5079   2.2314   3.5568   12.199   3.5368   18.728   7.6481   36.798   6.3543 -18.06967 9.943399 
1 1 1   27    1    3 o   15.142   6.3109   0.9747   2.4887   1.7886   3.5426   0.1816   3.4969   18.084   7.5327   16.104   7.0992 1.980339 10.35085 
1 1 1   27    1    4 o   71.004   3.4207   41.187   3.8003   41.891   6.0974   40.741   4.8596   69.299   5.6559   69.655   4.4693 -0.3561935 7.208600 
1 1 1   27    1    5 o   27.634   5.9545   6.9156   2.5060   6.5498   3.5641   7.2733   3.5244   25.720   7.9909   27.155   7.8368 -1.435381 11.19240 
1 1 1   27    1    6 f   86.925   2.3251   60.479   3.1689   59.035   4.4982   61.901   4.4651   84.956   3.3807   87.108   3.2722 -2.152107 4.704879 
1 1 1   27    1    7 o   27.427   6.6183   7.0793   2.8157   7.6711   3.8444   6.3946   4.1354   27.386   8.2600   24.955   8.6531 2.430765 11.96261 
1 1 1   27    1    8 o   43.319   4.5008   16.002   3.0151   16.761   4.3495   15.299   4.1835   42.363   6.7703   40.375   6.8470 1.987946 9.629060 
1 1 1   27    1    9 o   22.223   7.1457   4.7809   2.8279   0.6267   3.9796   9.0182   4.0192   17.027   7.5365   29.420   8.3301 -12.39373 11.23342 
1 1 1   27    1   10 o   11.311   5.4590  -3.5193   2.9120  -3.8229   4.3162  -3.2656   3.9453   14.111   6.7680   13.759   6.5639 0.3526745 9.428184 
1 1 1   27    1   11 f   18.592   6.6139   3.1421   2.4266   2.9214   3.4127   3.3679   3.4511   18.882   7.5701   19.570   7.6869 -0.6883812 10.78865 
1 1 1   27    1   12 o   15.503   6.2815   1.6180   2.3772  -0.4523   3.3304   3.7683   3.3941   14.558   6.6289   19.910   7.6784 -5.351574 10.14394 
1 1 1   27    1   13 o   21.345   6.5980   4.6189   2.4334   2.0448   3.4160   7.2710   3.4673   17.096   7.2734   25.570   7.8711 -8.474138 10.71714 
1 1 1   27    1   14 o   28.461   5.9971   7.9861   2.5939   10.471   3.5693   5.2054   3.7761   30.992   7.4345   21.066   8.1057 9.925768 10.99879 
1 1 1   27    1   15 o   23.752   6.7539   6.1297   2.6364   3.1835   3.7368   9.0494   3.7200   17.916   7.6143   27.211   8.1065 -9.294588 11.12179 
1 1 1   27    2    0 o   58.593   4.2739   28.128   3.8808   28.128   3.8808   28.128   3.8808   58.593   4.2739   58.593   4.2739 0.000000 0.000000 
1 1 1   27    2    1 o   21.777   6.9296   4.3621   2.6647   3.6050   3.9204   5.0122   3.6330   21.022   8.2119   23.099   8.1038 -2.076149 11.53719 
1 1 1   27    2    2 o   18.188   6.5999   2.7242   2.4299   1.0836   3.4257   4.3856   3.4472   17.026   7.2650   21.938   7.8741 -4.912230 10.71363 
1 1 1   27    2    3 o   36.735   4.6532   11.480   2.6224   10.402   3.6911   12.580   3.7265   33.168   7.2905   37.087   6.6470 -3.919796 9.865808 
1 1 1   27    2    4 o   20.357   7.0493   3.7252   2.7441   1.4883   4.1749   5.4267   3.6412   18.533   7.9663   23.680   8.1235 -5.147400 11.37779 
1 1 1   27    2    5 o   86.535   2.3661   59.950   3.2102   56.856   4.4905   63.184   4.5909   83.354   3.4403   87.989   3.3308 -4.635628 4.788554 
1 1 1   27    2    6 o   19.423   6.7641   3.3667   2.5283   3.1983   3.5869   3.5330   3.5642   19.877   7.8278   20.361   7.8642 -0.4840431 11.09596 
1 1 1   27    2    7 o   35.649   5.6038   11.312   3.0317   11.686   4.2402   10.921   4.3363   34.180   8.0405   32.639   8.4127 1.541203 11.63719 
1 1 1   27    2    8 o   13.050   6.0064  -1.2209   2.8340   0.9164   4.0711  -3.2304   3.9475   17.501   7.6895   13.869   6.6025 3.632078 10.13514 
1 1 1   27    2    9 o   41.777   4.5722   14.972   2.9486   11.003   4.1298   19.100   4.2113   32.872   8.0669   45.922   5.9861 -13.04969 10.04533 
1 1 1   27    2   10 o   29.569   6.7152   8.3719   3.0447   10.350   4.2225   6.2294   4.3944   31.344   8.4102   24.197   8.8609 7.147104 12.21666 
1 1 1   27    2   11 o   14.282   6.1119   0.6992   2.4374  -0.5421   3.4401   1.9504   3.4538   14.807   6.7401   17.575   7.3871 -2.768121 9.999953 
1 1 1   27    2   12 o   33.721   4.8828   10.096   2.5088   15.049   3.6266   5.5512   3.4742   40.249   5.9182   22.847   7.9307 17.40227 9.895528 
1 1 1   27    2   13 o   29.189   5.6104   8.0355   2.4766   6.2318   3.5117   9.8203   3.4933   23.469   7.9795   30.485   7.3816 -7.015833 10.87012 
1 1 1   27    2   14 o   26.194   6.3499   6.9954   2.5828   9.1986   3.5604   4.5483   3.7523   28.438   7.7625   20.062   7.9728 8.375486 11.12751 
1 1 1   27    2   15 o   45.141   3.9958   17.931   2.8014   15.446   3.9377   20.478   3.9864   38.300   6.8005   45.925   5.6501 -7.625034 8.841450 
1 1 1   27    3    0 o   37.787   6.8780   12.956   3.6786   12.956   3.6786   12.956   3.6786   37.787   6.8780   37.787   6.8780 0.000000 0.000000 
1 1 1   27    3    1 o   56.559   3.1781   26.001   2.8095   24.215   3.9560   27.819   3.9907   53.440   4.7672   57.571   4.4517 -4.131027 6.522555 
1 1 1   27    3    2 o   72.372   2.6125   42.075   2.9623   45.287   4.2112   38.929   4.1677   74.301   3.6226   68.653   3.8842 5.648132 5.311316 
1 1 1   27    3    3 o   21.227   6.7257   4.1461   2.5125  -0.6563   3.5524   8.9532   3.5541   15.312   6.9221   30.513   7.4808 -15.20090 10.19207 
1 1 1   27    3    5 o   63.087   2.9381   32.253   2.9009   33.019   4.1030   31.487   4.1018   62.824   4.1856   61.243   4.2951 1.580704 5.997248 
1 1 1   27    3    6 o   51.956   3.7854   22.397   3.0653   15.504   4.0898   31.232   4.6304   41.029   6.5737   60.293   4.9370 -19.26344 8.221158 
1 1 1   27    3    7 o   21.526   7.2401   4.4006   2.8907   5.1541   4.1239   3.6727   4.0533   22.925   8.5497   20.779   8.2771 2.145832 11.89985 
1 1 1   27    3    8 o   30.997   6.4180   8.9647   3.0191   6.8269   4.2710   11.100   4.2683   25.398   8.7945   32.875   8.2794 -7.476057 12.07854 
1 1 1   27    3    9 o   56.326   3.6011   26.295   3.1665   24.596   4.4511   28.036   4.5055   52.703   5.4607   56.671   5.1213 -3.967987 7.486507 
1 1 1   27    3   10 o   35.806   5.4691   11.491   2.9758   13.729   4.2457   9.3297   4.1722   37.261   7.5204   29.512   8.5296 7.748297 11.37150 
1 1 1   27    3   11 o   45.352   3.7006   17.234   2.6109   15.990   3.6536   18.531   3.7322   41.942   5.6983   45.566   5.3194 -3.624149 7.795241 
1 1 1   27    3   12 o   34.469   4.7214   10.499   2.4869   4.3413   3.4684   17.015   3.5677   20.687   7.8142   43.322   5.3621 -22.63555 9.476962 
1 1 1   27    3   13 o   18.702   6.6031   3.4796   2.4148   1.7372   3.4135   5.2252   3.4167   16.588   7.1673   21.644   7.8299 -5.056469 10.61498 
1 1 1   27    3   14 o   42.971   3.8262   16.001   2.5532   15.585   3.5819   16.429   3.6405   40.021   5.8783   41.214   5.7879 -1.193058 8.249519 
1 1 1   27    3   15 o   12.736   5.8017  -0.1400   2.5545   1.8718   3.6108  -2.1559   3.6145   16.296   7.1975   12.942   6.2037 3.353515 9.502119 
1 1 1   27    4    0 o   88.807   3.2783   63.244   4.5546   63.244   4.5546   63.244   4.5546   88.807   3.2783   88.807   3.2783 0.000000 0.000000 
1 1 1   27    4    1 o   39.452   4.3588   13.117   2.6536   13.412   3.8394   12.847   3.6718   38.283   6.6308   37.587   6.4575 0.6959381 9.255697 
1 1 1   27    4    2 o   69.285   2.7089   38.661   2.9397   37.000   4.1643   40.312   4.1503   66.782   3.9917   69.893   3.7982 -3.111160 5.510007 
1 1 1   27    4    3 o   71.259   2.6857   40.893   2.9979   38.254   4.1905   43.659   4.2907   67.915   3.9488   72.737   3.7719 -4.821777 5.460796 
1 1 1   27    4    4 o   39.512   4.4128   13.222   2.6896   14.002   3.8462   12.475   3.7625   39.115   6.4934   36.639   6.7937 2.475876 9.397767 
1 1 1   27    4    5 o   36.131   5.2241   11.419   2.8761   12.936   3.9588   9.7229   4.1856   37.013   7.0735   30.807   8.4194 6.205791 10.99638 
1 1 1   27    4    6 o   38.872   5.0594   13.145   3.0132   10.959   4.2396   15.377   4.2833   32.858   8.2383   40.401   7.0099 -7.542866 10.81703 
1 1 1   27    4    7 o   58.397   3.4644   28.089   3.1606   25.536   4.3496   30.946   4.6004   54.120   5.1847   59.879   4.9396 -5.758984 7.161056 
1 1 1   27    4    8 o   44.068   4.3616   16.518   2.9768   18.036   4.1421   14.897   4.2810   44.526   6.0871   39.392   7.1901 5.134319 9.420710 
1 1 1   27    4    9 o   41.775   4.3580   14.888   2.8151   16.988   3.9877   12.800   3.9746   43.143   6.0563   36.317   7.2281 6.825901 9.429945 
1 1 1   27    4   10 o   45.354   4.0776   17.414   2.8712   13.635   3.7425   22.820   4.4764   38.071   6.4971   50.207   5.7872 -12.13594 8.700850 
1 1 1   27    4   11 o   52.187   3.3249   22.554   2.7088   19.924   3.8247   25.202   3.8371   47.252   5.2461   53.946   4.5756 -6.694180 6.961133 
1 1 1   27    4   12 o   21.787   6.5846   4.7585   2.4413   4.5849   3.3926   4.9449   3.5155   20.933   7.7646   21.507   7.9172 -0.5745258 11.08923 
1 1 1   27    4   13 o   48.749   3.4584   20.102   2.6286   18.986   3.7229   21.211   3.7118   45.200   5.3522   48.297   4.9681 -3.096958 7.302637 
1 1 1   27    4   14 o   25.598   6.0954   6.6377   2.4133   7.8690   3.4716   5.4863   3.3571   25.744   7.8669   21.498   7.7635 4.245729 11.05261 
1 1 1   27    5    0 o   28.170   9.4013   8.7607   3.7029   8.7607   3.7029   8.7607   3.7029   28.170   9.4013   28.170   9.4013 0.000000 0.000000 
1 1 1   27    5    1 o   67.110   2.8269   36.384   2.9705   41.899   4.2551   31.141   4.1488   71.192   3.8226   60.872   4.3722 10.32007 5.807663 
1 1 1   27    5    2 o   44.183   3.8775   16.232   2.6613   15.789   3.7631   16.676   3.7641   42.132   5.8491   43.475   5.6507 -1.343510 8.132828 
1 1 1   27    5    3 o   59.728   3.1701   29.074   2.9607   29.362   4.0512   28.743   4.3376   59.019   4.4059   58.013   4.8076 1.005394 6.521159 
1 1 1   27    5    4 o   43.971   4.4795   16.415   3.0479   13.972   4.3119   18.855   4.3089   38.117   7.4757   45.698   6.1657 -7.581150 9.690325 
1 1 1   27    5    5 o   15.627   6.6860   0.8518   2.9155   1.1532   4.0826   0.5381   4.1648   17.834   7.7710   17.335   7.6895 0.4992867 10.93232 
1 1 1   27    5    6 o   45.298   4.3817   17.416   3.0759   17.016   4.3542   17.815   4.3458   42.740   6.7129   43.957   6.4953 -1.217182 9.340895 
1 1 1   27    5    7 o   13.290   6.0621  -0.8814   2.8008  -0.9163   3.8713  -0.8431   4.0572   15.432   7.0722   15.816   7.2451 -0.3841009 10.12455 
1 1 1   27    5    8 o   19.001   6.8263   3.2423   2.5915  -0.5281   3.7465   6.7015   3.5885   15.508   7.0494   25.500   8.0325 -9.992030 10.68710 
1 1 1   27    5    9 o   47.195   3.6852   18.576   2.7077   20.689   3.8068   16.413   3.8523   48.591   5.0665   42.432   5.9484 6.158920 7.813624 
1 1 1   27    5   10 o   45.776   3.8835   17.655   2.7635   15.056   3.6808   21.012   4.1837   40.448   5.9787   48.235   5.6329 -7.786884 8.214328 
1 1 1   27    5   11 o   45.688   3.7594   17.609   2.6716   12.823   3.7255   22.676   3.8333   36.246   6.7992   50.719   4.8761 -14.47281 8.366907 
1 1 1   27    5   12 o   47.119   3.5369   18.735   2.5963   19.588   3.6991   17.906   3.6448   46.424   5.1648   44.134   5.3732 2.289940 7.452913 
1 1 1   27    5   13 o   12.351   5.6544  -0.5067   2.4658  -0.7829   3.4902  -0.2315   3.4840   14.004   6.5215   14.462   6.6575 -0.4579172 9.319441 
1 1 1   27    5   14 o   13.829   5.9799   0.9597   2.3797   2.5670   3.3717  -0.6358   3.3592   16.997   7.2285   13.697   6.3851 3.299897 9.644757 
1 1 1   27    6    0 o   14.480   8.6935   2.3734   3.5510   2.3734   3.5510   2.3734   3.5510   14.480   8.6935   14.480   8.6935 0.000000 0.000000 
1 1 1   27    6    1 f   63.803   2.9269   33.001   2.9227   34.259   4.1459   31.758   4.1209   63.987   4.1512   61.461   4.2996 2.526268 5.976537 
1 1 1   27    6    2 o   70.471   3.2295   40.536   3.5620   46.088   5.3766   36.193   4.7553   73.621   4.6779   65.215   4.6775 8.405762 6.615279 
1 1 1   27    6    3 o   37.893   5.2229   12.567   3.0233   15.120   4.3500   10.181   4.2050   39.888   7.2148   31.534   8.3621 8.353979 11.04437 
1 1 1   27    6    4 o   46.630   4.3991   18.437   3.1811   15.705   4.4283   21.349   4.5726   40.616   7.2117   48.590   6.1329 -7.973961 9.466853 
1 1 1   27    6    5 o   33.876   5.7760   10.343   2.9606   8.2964   4.1439   12.476   4.2313   28.055   8.5991   35.468   7.8134 -7.412893 11.61867 
1 1 1   27    6    6 o   11.808   5.5615  -2.0822   2.6623  -1.0223   3.7685  -3.1381   3.7616   15.153   6.9569   13.529   6.4419 1.624045 9.481318 
1 1 1   27    6    7 o   24.365   6.5040   5.6542   2.5333   4.6023   3.5431   6.7544   3.6236   21.768   7.9589   25.576   8.0737 -3.807886 11.33700 
1 1 1   27    6    8 f   25.927   6.2419   6.3310   2.5090   7.4529   3.5296   5.1851   3.5671   26.917   7.8646   22.671   8.0235 4.246155 11.23512 
1 1 1   27    6    9 o   18.722   6.6368   3.2023   2.4415  -0.3237   3.4425   6.7705   3.4632   15.035   6.8038   25.509   7.8688 -10.47451 10.40239 
1 1 1   27    6   10 o   42.887   3.9104   15.570   2.6029   16.579   3.6403   14.515   3.7231   42.758   5.5565   39.320   6.2420 3.437500 8.356910 
1 1 1   27    6   11 o   53.767   3.2777   24.044   2.7524   20.899   3.8568   27.309   3.9293   48.137   5.1873   55.932   4.5150 -7.795250 6.876972 
1 1 1   27    6   12 o   17.921   6.5919   3.1269   2.4364   4.9894   3.4534   1.2814   3.4377   21.130   7.8347   16.033   7.0544 5.097603 10.54261 
1 1 1   27    6   13 o   15.623   6.3220   2.0304   2.4042  -0.1319   3.3677   4.2780   3.4334   14.262   6.5581   19.566   7.6726 -5.304049 10.09343 
1 1 1   27    6   14 o   46.019   3.6596   18.346   2.6211   17.289   3.7558   19.350   3.6598   41.759   5.8949   45.109   5.2691 -3.349606 7.906574 
1 1 1   27    7    0 o   25.024   11.525   8.6501   4.9673   8.6501   4.9673   8.6501   4.9673   25.024   11.525   25.024   11.525 0.000000 0.000000 
1 1 1   27    7    1 o   45.226   4.8105   17.599   3.3619   15.905   4.7674   19.275   4.7415   40.254   7.8287   45.420   6.8664 -5.165184 10.41325 
1 1 1   27    7    2 o   62.044   3.4914   31.699   3.3857   33.601   4.8110   29.834   4.7655   62.433   4.9509   58.494   5.2472 3.939232 7.214179 
1 1 1   27    7    3 o   73.513   3.0467   43.997   3.5072   43.076   4.9644   44.915   4.9554   71.286   4.4600   72.928   4.3497 -1.641121 6.229852 
1 1 1   27    7    4 o   73.257   3.0630   43.735   3.5135   43.380   4.9379   44.098   5.0004   71.543   4.4197   72.109   4.4404 -0.5664978 6.265042 
1 1 1   27    7    5 o   21.050   6.7394   4.1992   2.5174   2.4606   3.5910   5.8792   3.5301   18.618   7.6532   24.055   7.9992 -5.437393 11.07057 
1 1 1   27    7    6 o   33.197   5.0085   9.6779   2.5281   11.490   3.6103   7.9347   3.5413   34.706   6.8720   27.931   7.7878 6.775244 10.38630 
1 1 1   27    7    7 o   11.397   5.3762  -2.0267   2.5049  -4.0728   3.5346   0.0381   3.5505   12.390   5.9881   15.656   7.0120 -3.266363 9.220881 
1 1 1   27    7    8 o   22.635   6.6098   4.9580   2.4938   5.5396   3.5186   4.3709   3.5351   23.187   7.9844   21.189   7.9131 1.997808 11.24134 
1 1 1   27    7    9 o   17.954   6.6502   2.8547   2.4871  -1.7529   3.5354   7.3688   3.4993   13.885   6.4981   26.463   7.8572 -12.57768 10.19613 
1 1 1   27    7   10 o   41.546   4.0165   14.751   2.5860   14.250   3.6320   15.266   3.6829   38.819   6.1681   40.381   5.9933 -1.561188 8.600319 
1 1 1   27    7   11 o   12.005   5.5725  -1.0930   2.5160  -2.1502   3.6796  -0.1648   3.4479   13.511   6.4153   14.708   6.7155 -1.197615 9.287289 
1 1 1   27    7   12 o   29.034   5.7811   8.1913   2.5414   5.0635   3.5717   11.399   3.6169   20.915   7.9230   32.622   7.2530 -11.70734 10.74148 
1 1 1   27    7   13 o   19.387   6.6605   4.0498   2.4480   1.3082   3.4056   6.9808   3.5213   15.573   6.9281   23.772   7.9908 -8.199071 10.57596 
1 1 1   27    8    0 o   19.622   10.995   5.6801   5.0909   5.6801   5.0909   5.6801   5.0909   19.622   10.995   19.622   10.995 0.000000 0.000000 
1 1 1   27    8    1 o   55.248   4.6558   26.145   3.9991   19.785   5.5517   33.003   5.7654   44.273   8.2954   60.262   6.1841 -15.98943 10.34685 
1 1 1   27    8    2 o   70.268   3.4439   40.663   3.7861   39.711   5.3883   41.592   5.3210   67.550   5.1212   69.401   4.9175 -1.851616 7.099878 
1 1 1   27    8    3 o   72.993   3.1078   43.506   3.5518   46.420   4.7659   39.867   5.3266   74.340   4.1011   67.748   5.0464 6.591751 6.502726 
1 1 1   27    8    4 o   34.304   5.3937   10.487   2.8079   13.248   4.0393   7.9047   3.9060   37.010   7.2141   27.418   8.3378 9.591957 11.02554 
1 1 1   27    8    5 o   39.726   4.6473   13.624   2.8425   13.339   4.0409   13.902   3.9993   37.105   7.1995   38.159   6.9339 -1.054008 9.995592 
1 1 1   27    8    6 f   30.737   5.8630   8.6702   2.7249   7.0278   3.8409   10.335   3.8664   25.743   8.3322   31.899   7.7916 -6.156712 11.40765 
1 1 1   27    8    7 o   14.885   6.2841   0.9997   2.5168  -0.1366   3.5484   2.1502   3.5704   15.402   6.9445   17.985   7.5319 -2.582603 10.24477 
1 1 1   27    8    8 o   11.552   5.4165  -1.6857   2.4754   0.8608   3.5015  -4.2301   3.5000   16.265   7.1392   12.122   5.8824 4.142476 9.250396 
1 1 1   27    8    9 f   11.168   5.2685  -1.8369   2.4062  -0.9084   3.4467  -2.7196   3.3606   14.302   6.5977   12.712   6.0626 1.590780 8.960139 
1 1 1   27    8   10 f   15.982   6.3878   2.0049   2.4222   0.3973   3.3991   3.6635   3.4527   15.234   6.8388   19.331   7.6588 -4.096524 10.26779 
1 1 1   27    8   11 o   18.946   6.8636   3.6986   2.6265   0.9216   4.0310   5.7476   3.4625   16.243   7.3553   22.251   7.9020 -6.007286 10.79546 
1 1 1   27    8   12 o   22.561   6.5978   5.4364   2.4831   4.0735   3.5060   6.8081   3.5174   19.152   7.6748   23.613   7.9864 -4.461134 11.07628 
1 1 1   27    8   13 o   19.782   6.6908   4.3041   2.4688   8.4081   3.5623   0.5113   3.4246   26.124   7.9662   14.687   6.7007 11.43729 10.40964 
1 1 1   27    9    0 o   11.148   7.4296  -0.3370   3.5230  -0.3370   3.5230  -0.3370   3.5230   11.148   7.4296   11.148   7.4296 0.000000 0.000000 
1 1 1   27    9    1 o   51.632   3.7213   22.210   2.9950   23.520   4.2566   20.926   4.2149   51.618   5.3315   48.334   5.6641 3.283897 7.778611 
1 1 1   27    9    2 o   74.978   2.8168   45.625   3.3084   44.523   4.6236   46.781   4.7360   72.775   4.0646   74.607   4.0604 -1.831963 5.745246 
1 1 1   27    9    3 o   66.887   3.8100   37.341   3.9826   43.762   5.4885   30.201   5.7879   70.984   4.9583   56.866   6.6087 14.11781 8.261927 
1 1 1   27    9    4 o   74.031   3.0386   44.762   3.5226   45.738   5.0018   43.801   4.9619   73.327   4.3664   71.668   4.4336 1.658997 6.222715 
1 1 1   27    9    5 o   45.050   4.3943   17.383   3.0672   14.244   4.5163   20.070   4.1787   37.427   7.9360   47.067   5.7785 -9.640755 9.816862 
1 1 1   27    9    6 o   29.203   6.1129   7.9986   2.7114   9.9943   3.8865   6.1063   3.7845   30.998   7.9514   23.963   8.2794 7.034628 11.47924 
1 1 1   27    9    7 o   26.465   6.3775   6.7445   2.6172   5.3372   3.6674   8.2051   3.7362   22.554   8.1183   27.675   8.0930 -5.121832 11.46315 
1 1 1   27    9    8 f   30.622   5.8167   8.7668   2.6930   9.1928   3.8608   8.3630   3.7584   29.048   8.1433   27.660   8.1247 1.387365 11.50323 
1 1 1   27    9    9 o   30.739   5.7483   8.9249   2.6710   10.170   3.8093   7.7211   3.7461   30.528   7.8933   26.016   8.2086 4.512318 11.38797 
1 1 1   27    9   10 o   30.528   5.8518   9.0135   2.7015   8.5052   3.7747   9.5471   3.8680   26.863   8.2020   28.610   8.1956 -1.746582 11.59482 
1 1 1   27    9   11 f   14.578   6.6005   0.4122   3.2452   2.9800   4.3631  -2.7672   4.8549   18.150   7.9679   14.505   7.0120 3.645312 10.61397 
1 1 1   27    9   12 o   13.084   5.9171   0.1221   2.5990   3.0441   3.6353  -2.9328   3.7171   17.581   7.4925   12.606   6.1041 4.975379 9.664211 
1 1 1   27   10    0 o   15.769   9.1028   3.3192   3.6362   3.3192   3.6362   3.3192   3.6362   15.769   9.1028   15.769   9.1028 0.000000 0.000000 
1 1 1   27   10    1 o   50.203   3.5129   20.920   2.7502   21.950   3.9130   19.915   3.8660   50.017   5.0545   47.396   5.2877 2.621044 7.314878 
1 1 1   27   10    2 o   28.050   6.0348   7.3390   2.5776   6.5392   3.5898   8.1903   3.7034   24.973   8.0528   27.975   8.0211 -3.002296 11.36598 
1 1 1   27   10    3 o   30.746   6.4462   8.9785   3.0107   11.293   4.2697   6.6893   4.2461   32.704   8.3051   24.735   8.7538 7.969318 12.06668 
1 1 1   27   10    4 o   46.669   3.9897   18.423   2.8940   18.172   4.0550   18.684   4.1315   44.476   5.9597   45.072   5.9891 -0.5961037 8.449079 
1 1 1   27   10    5 o   41.357   4.4590   14.781   2.8482   17.878   4.0307   11.692   4.0254   43.991   5.9943   33.730   7.7655 10.26167 9.809954 
1 1 1   27   10    6 o   25.188   6.8773   6.3485   2.7943   7.8314   3.9571   4.8737   3.9463   26.528   8.4448   21.671   8.2996 4.856993 11.84050 
1 1 1   27   10    7 o   27.863   6.2077   7.4941   2.6448   4.8634   3.7590   10.073   3.7219   21.423   8.1253   30.874   7.7065 -9.450687 11.19864 
1 1 1   27   10    8 f   10.219   4.9814  -3.5503   2.5876  -8.8573   3.5814   2.2457   3.7428   9.9992   5.0321   17.602   7.5541 -7.602665 9.076716 
1 1 1   27   10    9 o   11.386   5.3502  -1.4409   2.4382  -1.7530   3.4080  -1.1136   3.4897   13.154   6.2248   13.786   6.4533 -0.6322622 8.966238 
1 1 1   27   10   10 o   20.230   6.7312   4.3947   2.4996   3.6999   3.5088   5.1106   3.5616   18.697   7.6110   20.769   7.9016 -2.072594 10.97096 
1 1 1   27   10   11 o   13.879   6.2070   0.5724   2.7714   3.6902   3.7796  -3.0529   4.0757   18.408   7.7318   13.102   6.3554 5.305924 10.00862 
1 1 1   27   11    0 o   14.819   8.8288   2.7835   3.6085   2.7835   3.6085   2.7835   3.6085   14.819   8.8288   14.819   8.8288 0.000000 0.000000 
1 1 1   27   11    1 f   17.867   6.6822   2.8025   2.5227   3.3249   3.4935   2.2332   3.6468   19.387   7.6967   18.042   7.5875 1.345240 10.80780 
1 1 1   27   11    2 o   40.905   4.1915   14.322   2.6526   17.133   3.8074   11.671   3.6976   43.284   5.7473   34.383   7.0884 8.900215 9.125582 
1 1 1   27   11    3 o   17.717   6.9652   2.6097   2.8357  -0.3012   4.1888   5.0724   3.8528   16.104   7.3713   22.028   8.2540 -5.923824 11.06638 
1 1 1   27   11    4 o   38.231   4.4888   12.726   2.6418   14.311   3.7433   11.154   3.7289   38.766   6.3745   33.146   7.3604 5.620010 9.737084 
1 1 1   27   11    5 o   12.673   5.8176  -0.8283   2.6344  -3.7896   3.4706   3.1975   4.0466   12.199   5.9050   19.259   8.0386 -7.060058 9.974350 
1 1 1   27   11    6 o   17.643   6.7040   2.8493   2.5619   3.0006   3.5936   2.6929   3.6533   18.515   7.6380   18.161   7.6133 0.3540039 10.78432 
1 1 1   27   11    7 o   10.937   5.2617  -2.6988   2.6553  -2.1049   3.7545  -3.2932   3.7559   13.605   6.4658   12.846   6.1998 0.7585745 8.957949 
1 1 1   27   11    8 o   20.225   6.9943   4.3959   2.7011   8.6000   3.7751  -0.0143   3.8665   26.817   8.2052   15.166   6.9932 11.65049 10.78106 
1 1 1   27   11    9 f   16.611   6.7932   2.4885   2.8111   3.4538   4.3307   1.7856   3.6954   18.531   8.0398   16.433   7.2686 2.097860 10.83842 
1 1 1   27   11   10 o   37.441   4.9330   13.106   2.8280   10.992   3.9568   15.313   4.0433   29.912   8.1905   37.489   7.1331 -7.577158 10.86124 
1 1 1   27   12    0 o   7.1230   5.1998  -7.3737   3.5044  -7.3737   3.5044  -7.3737   3.5044   7.1230   5.1998   7.1230   5.1998 0.000000 0.000000 
1 1 1   27   12    1 o   23.192   6.8166   5.4443   2.6449   3.0826   3.7878   7.6915   3.6948   18.933   7.8289   26.356   8.1273 -7.423285 11.28473 
1 1 1   27   12    2 o   13.937   6.1034   0.4555   2.5462  -1.9742   3.6261   2.8188   3.5761   13.683   6.4588   18.389   7.6060 -4.706189 9.978316 
1 1 1   27   12    3 o   51.517   3.5138   22.306   2.8238   17.228   3.9348   27.698   4.0549   42.624   6.0525   56.078   4.6494 -13.45432 7.632142 
1 1 1   27   12    4 o   21.155   6.8381   4.6125   2.5875   10.147   3.7470  -0.4321   3.5774   30.536   7.7940   14.699   6.7593 15.83683 10.31667 
1 1 1   27   12    5 o   36.972   5.1075   12.525   2.8843   9.4919   3.8220   16.536   4.3960   28.822   8.1103   39.813   7.3053 -10.99096 10.91531 
1 1 1   27   12    6 o   15.616   6.4458   1.8486   2.5614   0.5118   3.6098   3.2043   3.6351   15.332   6.9498   18.321   7.6309 -2.989202 10.32130 
1 1 1   27   12    7 o   15.690   6.4706   1.9715   2.5780   7.2606   3.8028  -2.5262   3.5068   24.097   8.3006   12.658   6.0788 11.43877 10.28840 
1 1 1   27   12    8 o   12.692   5.7792  -0.1584   2.5317  -0.4238   3.7094   0.0730   3.4638   14.349   6.6960   14.429   6.6410 -0.7994747E-01 9.430752 
1 1 1   27   12    9 o   26.945   6.8353   7.9673   2.8944   9.0277   4.2916   7.0825   3.9201   25.402   8.8146   22.955   8.3749 2.446772 12.15878 
1 1 1   27   13    0 o   25.787   9.7736   8.3996   3.7123   8.3996   3.7123   8.3996   3.7123   25.787   9.7736   25.787   9.7736 0.000000 0.000000 
1 1 1   27   13    1 o   21.090   6.8021   4.6655   2.5612   6.1007   3.6333   3.2480   3.6110   22.835   8.0960   18.516   7.6492 4.318848 11.13806 
1 1 1   27   13    2 o   27.743   6.2035   7.6599   2.6330   12.145   3.8038   3.5335   3.6483   33.706   7.3949   18.849   7.7273 14.85695 10.69560 
1 1 1   27   13    3 o   15.397   6.3810   1.7380   2.5239   2.1707   3.5223   1.2814   3.6182   16.975   7.3073   16.093   7.1512 0.8825989 10.22433 
1 1 1   27   13    4 o   19.267   6.8692   3.9330   2.6189   5.3039   3.7344   2.6061   3.6738   21.106   8.0760   17.481   7.4928 3.625275 11.01654 
1 1 1   27   13    5 o   20.591   7.0799   4.7041   2.7662   2.2579   3.8262   7.3828   4.0039   17.063   7.4771   23.910   8.4967 -6.846712 11.31814 
1 1 1   27   13    6 o   12.703   5.7767  -0.1263   2.5192  -0.1266   3.5356  -0.1261   3.5905   14.354   6.6430   14.429   6.6835 -0.7482719E-01 9.423322 
1 1 1   27   13    7 o   17.464   6.6459   3.1904   2.5200   4.0550   3.5793   2.3406   3.5485   18.772   7.6700   16.643   7.2484 2.129789 10.55313 
1 1 1   27   13    8 o   14.518   6.2176   1.4420   2.5259   3.1037   3.6207  -0.1334   3.5254   17.428   7.4537   14.129   6.5713 3.299170 9.936716 
1 1 1   27   14    0 o   20.534   9.9358   6.4364   3.7318   6.4364   3.7318   6.4364   3.7318   20.534   9.9358   20.534   9.9358 0.000000 0.000000 
1 1 1   27   14    1 o   9.0186   4.4910  -5.0584   2.5211  -5.1354   3.5526  -4.9803   3.5782   11.227   5.5446   11.349   5.5974 -0.1222305 7.878692 
1 1 1   27   14    2 o   12.386   5.7044  -0.5182   2.5617  -1.0704   3.6907  -0.0049   3.5586   13.855   6.5328   14.513   6.6980 -0.6573534 9.356321 
1 1 1   27   14    3 o   24.054   6.6684   6.2663   2.6046   6.7165   3.6365   5.7920   3.7322   23.000   8.1046   21.378   8.0989 1.622646 11.45758 
1 1 1   27   14    4 o   11.954   5.5725  -0.8749   2.5586  -0.3194   3.6216  -1.4284   3.6151   14.215   6.6276   13.376   6.3536 0.8384590 9.181143 
1 1 1   27   14    5 o   13.041   6.0448  -0.4329   2.9454  -3.2970   4.1504   2.4731   4.1806   12.983   6.3240   17.066   7.6286 -4.083630 9.909016 
1 1 1   27   14    6 o   18.061   6.9596   3.6237   2.7866   6.6471   3.9533   0.6380   3.9286   22.006   8.3357   15.190   7.0201 6.815615 10.89797 
1 1 1   27   15    0 o   16.712   9.4467   4.7104   3.8009   4.7104   3.8009   4.7104   3.8009   16.712   9.4467   16.712   9.4467 0.000000 0.000000 
1 1 1   27   15    1 o   14.070   6.1633   1.0610   2.5977   1.4760   3.7018   0.6584   3.6463   15.710   7.0872   14.912   6.8451 0.7971935 9.853101 
1 1 1   27   15    2 o   23.824   7.0615   6.5588   2.8285   4.0511   3.9929   9.0845   4.0072   18.509   7.8689   25.821   8.5203 -7.311525 11.59806 
1 1 1   27   15    3 o   21.697   7.3738   5.7219   2.9988   4.7930   4.2740   6.6226   4.2086   19.270   8.1646   21.580   8.4849 -2.309454 11.77516 
1 1 1   28    0    0 o   49.931   9.4598   22.883   6.6380   22.883   6.6380   22.883   6.6380   49.931   9.4598   49.931   9.4598 0.000000 0.000000 
1 1 1   28    0    1 o   12.888   8.3446   0.7668   3.9809   0.7668   3.9809   0.7668   3.9809   12.888   8.3446   12.888   8.3446 0.000000 0.000000 
1 1 1   28    0    2 o   30.879   9.9321   10.584   4.2468   10.584   4.2468   10.584   4.2468   30.879   9.9321   30.879   9.9321 0.000000 0.000000 
1 1 1   28    0    3 f   46.470   6.3315   19.048   4.3749   19.048   4.3749   19.048   4.3749   46.470   6.3315   46.470   6.3315 0.000000 0.000000 
1 1 1   28    0    4 o   22.114   10.395   6.6474   4.0535   6.6474   4.0535   6.6474   4.0535   22.114   10.395   22.114   10.395 0.000000 0.000000 
1 1 1   28    0    5 o   18.946   10.056   5.0841   4.0282   5.0841   4.0282   5.0841   4.0282   18.946   10.056   18.946   10.056 0.000000 0.000000 
1 1 1   28    0    6 o   13.222   8.2920   1.5337   3.5714   1.5337   3.5714   1.5337   3.5714   13.222   8.2920   13.222   8.2920 0.000000 0.000000 
1 1 1   28    0    7 o   85.662   3.3058   59.177   4.4289   59.177   4.4289   59.177   4.4289   85.662   3.3058   85.662   3.3058 0.000000 0.000000 
1 1 1   28    0    8 o   14.545   8.6307   2.6516   3.4228   2.6516   3.4228   2.6516   3.4228   14.545   8.6307   14.545   8.6307 0.000000 0.000000 
1 1 1   28    0    9 o   34.138   7.3974   11.296   3.4747   11.296   3.4747   11.296   3.4747   34.138   7.3974   34.138   7.3974 0.000000 0.000000 
1 1 1   28    0   10 o   27.446   9.1831   8.7191   3.5267   8.7191   3.5267   8.7191   3.5267   27.446   9.1831   27.446   9.1831 0.000000 0.000000 
1 1 1   28    0   11 o   7.8324   5.6124  -4.1826   3.2260  -4.1826   3.2260  -4.1826   3.2260   7.8324   5.6124   7.8324   5.6124 0.000000 0.000000 
1 1 1   28    0   12 o   8.0808   5.7782  -3.9761   3.3470  -3.9761   3.3470  -3.9761   3.3470   8.0808   5.7782   8.0808   5.7782 0.000000 0.000000 
1 1 1   28    1    0 o   9.6815   6.7095  -2.2510   3.5224  -2.2510   3.5224  -2.2510   3.5224   9.6815   6.7095   9.6815   6.7095 0.000000 0.000000 
1 1 1   28    1    1 o   19.798   7.1191   3.5363   2.8193   1.4058   4.0143   5.6099   3.9604   17.967   7.7679   23.610   8.4439 -5.643202 11.47342 
1 1 1   28    1    2 o   34.054   5.8107   10.457   2.9940   9.4291   4.2214   11.497   4.2469   30.017   8.5499   33.718   8.1229 -3.701216 11.79337 
1 1 1   28    1    3 o   26.367   6.9426   6.7040   2.9117   5.5741   4.1296   7.8211   4.1061   23.495   8.5920   27.243   8.5938 -3.748014 12.15219 
1 1 1   28    1    4 o   22.821   7.2286   5.0687   2.9025   1.3742   4.0477   8.9790   4.1642   17.917   7.7731   29.196   8.5457 -11.27895 11.55202 
1 1 1   28    1    5 o   10.695   5.1908  -3.7647   2.7286   0.4616   3.8562  -8.0024   3.8614   16.660   7.3940   11.178   5.5648 5.481672 9.254108 
1 1 1   28    1    6 o   72.717   2.8732   42.969   3.2723   38.602   4.7428   46.937   4.5208   67.236   4.5212   74.988   3.8546 -7.751648 5.941284 
1 1 1   28    1    7 o   30.680   5.4838   8.4992   2.5433   8.6287   3.5643   8.3649   3.6301   29.100   7.6904   28.475   7.8642 0.6247368 10.99946 
1 1 1   28    1    8 o   58.013   3.0384   27.592   2.7565   26.794   3.9030   28.386   3.8937   55.770   4.4977   57.585   4.3406 -1.814831 6.250593 
1 1 1   28    1    9 o   15.999   6.3605   1.9348   2.3890   3.0771   3.3613   0.7689   3.3960   18.725   7.5109   15.833   6.9872 2.891356 10.25840 
1 1 1   28    1   10 o   36.068   4.8317   11.675   2.6661   11.710   3.8746   11.644   3.6742   33.200   7.6011   33.609   7.1841 -0.4090080 10.45887 
1 1 1   28    1   11 o   17.458   6.5541   2.9323   2.4317   1.3823   3.4338   4.4917   3.4441   16.051   7.0569   20.199   7.7490 -4.147629 10.48084 
1 1 1   28    1   12 o   10.593   5.0557  -1.9786   2.3457   0.1036   3.3483  -3.9855   3.2871   14.427   6.5988   11.350   5.5501 3.077433 8.622501 
1 1 1   28    2    0 o   12.571   8.0101   1.0222   3.4857   1.0222   3.4857   1.0222   3.4857   12.571   8.0101   12.571   8.0101 0.000000 0.000000 
1 1 1   28    2    1 o   43.399   4.5115   16.066   3.0278   15.509   4.2679   16.632   4.2962   40.547   6.9577   42.261   6.7012 -1.714043 9.660010 
1 1 1   28    2    2 o   21.932   7.2860   4.6248   2.9289   3.1098   4.1181   6.1755   4.1664   20.043   8.2125   24.443   8.6693 -4.399954 11.94163 
1 1 1   28    2    3 o   68.601   3.1952   38.476   3.4303   41.839   4.8999   35.243   4.8040   70.215   4.4701   64.039   4.8155 6.175690 6.570438 
1 1 1   28    2    4 o   31.178   6.4690   9.0991   3.0613   13.219   4.1732   4.2995   4.5045   36.799   7.4818   21.732   8.7024 15.06683 11.47647 
1 1 1   28    2    5 o   37.791   5.1459   12.556   2.9726   10.245   4.1293   15.043   4.2826   31.443   8.2624   39.575   7.1593 -8.132071 10.93266 
1 1 1   28    2    6 o   23.391   7.1728   5.3973   2.8829   7.9290   4.1431   3.0209   4.0140   27.117   8.6419   19.644   8.0849 7.473175 11.83416 
1 1 1   28    2    7 o   61.663   3.1179   31.171   3.0073   29.409   4.3014   32.857   4.2062   58.285   4.7437   62.085   4.3446 -3.800251 6.432618 
1 1 1   28    2    8 o   36.248   4.8079   11.548   2.6675   13.604   3.6917   9.3017   3.8586   37.888   6.4391   29.592   8.0825 8.296473 10.33384 
1 1 1   28    2    9 o   67.709   2.7392   37.418   2.9045   36.717   4.0699   38.145   4.1465   65.702   3.9658   66.974   3.9629 -1.272034 5.606414 
1 1 1   28    2   10 o   15.125   6.3960   1.3409   2.6145   0.7039   4.0152   1.8098   3.4450   16.285   7.3607   16.771   7.2230 -0.4859009 10.31274 
1 1 1   28    2   11 o   24.635   6.3656   6.1879   2.4784   5.7331   3.5005   6.6451   3.5096   22.166   7.9373   23.779   7.9773 -1.612606 11.25331 
1 1 1   28    2   12 o   27.554   5.8186   7.4982   2.4370   7.0006   3.4595   7.9884   3.4334   24.103   7.9149   26.061   7.7937 -1.957632 11.10798 
1 1 1   28    3    0 f   12.872   8.1421   1.2424   3.5263   1.2424   3.5263   1.2424   3.5263   12.872   8.1421   12.872   8.1421 0.000000 0.000000 
1 1 1   28    3    1 o   28.600   5.9584   7.4922   2.5873   11.419   3.7441   3.9037   3.5794   34.473   7.1554   20.764   7.9161 13.70867 10.67076 
1 1 1   28    3    2 o   58.596   3.4305   28.268   3.1407   31.711   4.6929   25.475   4.2268   60.542   4.9836   54.188   5.0279 6.353603 7.079249 
1 1 1   28    3    3 o   26.318   6.9085   6.6875   2.8889   9.1885   4.0875   4.1913   4.0836   29.661   8.4014   21.393   8.3740 8.267588 11.86202 
1 1 1   28    3    4 o   49.459   4.4193   20.826   3.3939   24.379   4.8419   17.394   4.7587   51.832   6.0673   42.348   7.4316 9.484081 9.593767 
1 1 1   28    3    5 o   31.348   6.0726   9.0645   2.8795   8.0787   4.0856   10.038   4.0589   27.503   8.5573   31.120   8.1983 -3.617262 11.85074 
1 1 1   28    3    6 o   60.449   3.4300   30.191   3.2405   29.837   4.5908   30.542   4.5747   58.413   5.0579   59.207   4.9694 -0.7935028 7.090646 
1 1 1   28    3    7 o   43.276   4.3159   16.031   2.8920   13.955   4.2329   17.848   3.9605   37.467   7.4615   44.229   5.8494 -6.761261 9.480959 
1 1 1   28    3    8 o   69.081   2.9106   39.028   3.1483   39.981   4.5288   38.138   4.3797   68.391   4.2405   66.848   4.1961 1.542366 5.965695 
1 1 1   28    3    9 o   15.025   6.3857   1.1575   2.6284  -3.4045   3.7104   5.7525   3.7238   12.871   6.1992   22.768   8.1824 -9.896949 10.26555 
1 1 1   28    3   10 o   25.353   7.2611   6.9079   3.0366   13.755   4.1711  -0.8123   4.4292   35.815   7.6536   15.521   7.2671 20.29350 10.55405 
1 1 1   28    3   11 o   31.572   5.2916   9.3660   2.5291   5.6090   3.5327   13.316   3.6224   21.819   7.9518   36.161   6.6275 -14.34202 10.35157 
1 1 1   28    3   12 o   28.815   5.7124   8.1395   2.4918   11.763   3.4995   4.4132   3.5489   33.274   6.9274   19.610   7.7664 13.66372 10.40700 
1 1 1   28    4    0 o   54.482   4.5805   24.717   3.8502   24.717   3.8502   24.717   3.8502   54.482   4.5805   54.482   4.5805 0.000000 0.000000 
1 1 1   28    4    1 o   58.698   3.1505   28.171   2.8914   28.075   4.1164   28.263   4.0623   57.302   4.6167   57.579   4.5322 -0.2776604 6.469557 
1 1 1   28    4    2 o   62.991   2.9093   32.248   2.8682   31.140   4.0207   33.396   4.0926   60.731   4.2455   62.984   4.1640 -2.252888 5.946677 
1 1 1   28    4    4 o   13.173   6.1001  -1.4090   2.9877   1.3048   4.3332  -3.8685   4.1251   18.111   7.9460   13.740   6.5969 4.370681 10.32755 
1 1 1   28    4    5 o   27.665   6.7677   7.3885   2.9136   9.1375   4.1460   5.6820   4.0953   29.230   8.5189   23.390   8.5558 5.839783 12.07371 
1 1 1   28    4    6 o   29.559   6.5166   8.3336   2.9414   8.9647   4.1649   7.7055   4.1547   28.737   8.5815   26.536   8.6714 2.201311 12.19984 
1 1 1   28    4    7 o   71.222   3.0264   41.553   3.3748   42.139   4.7313   40.946   4.8153   70.222   4.3142   69.012   4.4702 1.209557 6.212502 
1 1 1   28    4    8 o   33.590   5.5199   10.349   2.8087   8.4496   4.0557   12.100   3.8935   27.355   8.5283   34.450   7.4212 -7.095255 11.30511 
1 1 1   28    4    9 o   49.494   3.7444   20.816   2.8868   21.164   4.1605   20.492   4.0088   47.667   5.6730   47.077   5.5316 0.5907860 7.923511 
1 1 1   28    4   10 o   14.547   6.5357   0.3542   3.1116   1.7561   4.2708  -1.2319   4.5429   17.311   7.7261   15.286   7.2197 2.024765 10.57429 
1 1 1   28    4   11 o   11.702   5.5000  -1.3692   2.5791   1.6528   3.6828  -4.2780   3.6130   16.405   7.2562   11.847   5.7987 4.557664 9.288542 
1 1 1   28    4   12 o   10.138   4.9482  -3.3231   2.5765  -1.2394   3.6715  -5.3449   3.6166   13.716   6.4816   11.238   5.5584 2.477080 8.538577 
1 1 1   28    5    0 o   67.301   4.0199   37.066   4.2106   37.066   4.2106   37.066   4.2106   67.301   4.0199   67.301   4.0199 0.000000 0.000000 
1 1 1   28    5    1 o   75.945   2.5657   46.517   3.0534   46.009   4.3134   47.027   4.3231   74.447   3.7036   75.306   3.6691 -0.8588791 5.213396 
1 1 1   28    5    2 o   58.009   3.0967   27.510   2.8088   23.204   3.9442   31.940   4.0010   51.711   4.9196   61.536   4.1677 -9.825451 6.447616 
1 1 1   28    5    3 o   33.551   5.1614   9.9546   2.6306   10.039   3.6876   9.8673   3.7538   31.767   7.5152   31.315   7.6946 0.4525433 10.75566 
1 1 1   28    5    4 o   43.628   4.5616   16.378   3.0770   14.494   4.6614   17.833   4.0963   37.655   8.1269   44.124   6.0770 -6.469391 10.14774 
1 1 1   28    5    5 o   19.351   6.9627   3.4583   2.6973  -0.3120   3.7512   7.4942   3.8811   15.600   7.0766   26.457   8.3561 -10.85714 10.94999 
1 1 1   28    5    6 o   46.177   3.9360   18.012   2.8251   19.872   3.9541   16.074   4.0377   47.045   5.4570   41.301   6.4397 5.744392 8.440878 
1 1 1   28    5    7 o   45.861   4.1094   17.965   2.9262   14.342   4.1687   21.485   4.1086   37.884   7.2762   48.725   5.4674 -10.84037 9.101450 
1 1 1   28    5    8 o   47.123   4.1506   19.131   3.0380   17.131   4.2392   21.242   4.3560   41.827   6.6832   47.538   5.9704 -5.710598 8.961682 
1 1 1   28    5    9 f   17.037   6.8611   2.4824   2.8167   3.0782   4.0189   1.9072   3.9488   18.651   7.9104   17.316   7.5917 1.334784 10.96395 
1 1 1   28    5   10 o   22.181   7.3951   5.4971   3.0166   12.964   4.1141  -3.1864   4.4365   34.103   7.8500   13.878   6.7076 20.22541 10.32542 
1 1 1   28    5   11 o   10.422   5.0563  -2.9576   2.5820  -3.0377   3.6693  -2.8790   3.6340   12.587   6.0878   12.622   6.0932 -0.3449249E-01 8.613252 
1 1 1   28    6    0 o   83.563   3.4178   56.399   4.4649   56.399   4.4649   56.399   4.4649   83.563   3.4178   83.563   3.4178 0.000000 0.000000 
1 1 1   28    6    1 o   35.097   4.9315   10.791   2.6413   14.771   3.7369   6.8180   3.7339   40.081   6.1360   25.495   8.2121 14.58566 10.25135 
1 1 1   28    6    2 o   26.363   6.3171   6.5746   2.5792   8.7017   3.6505   4.4542   3.6447   29.154   7.8187   21.431   8.0284 7.723244 11.20661 
1 1 1   28    6    3 o   34.587   5.4924   10.761   2.8816   11.024   3.8111   10.411   4.4031   33.258   7.4836   30.997   8.6988 2.260584 11.47489 
1 1 1   28    6    4 o   30.687   5.5354   8.5456   2.5676   4.3286   3.6130   12.849   3.6497   21.111   7.9751   36.843   6.5524 -15.73235 10.32168 
1 1 1   28    6    5 o   18.266   6.6207   3.0138   2.4443   6.0323   3.4936   0.1194   3.4212   23.951   7.9576   15.371   6.8837 8.579961 10.52183 
1 1 1   28    6    6 o   26.896   6.2833   6.9517   2.6040   8.7344   3.6694   5.1432   3.6959   28.693   7.8998   22.131   8.1226 6.562656 11.33061 
1 1 1   28    6    7 o   28.550   6.2486   7.8841   2.7217   4.0728   3.7937   11.926   3.9069   20.239   8.0251   33.903   7.5384 -13.66398 11.01043 
1 1 1   28    6    8 o   16.947   6.6646   2.4933   2.5969   4.6102   3.6140   0.2334   3.7341   20.695   7.9382   15.511   7.0457 5.183655 10.61401 
1 1 1   28    6    9 o   23.950   6.7178   6.0007   2.6267   8.3277   3.7098   3.6614   3.7196   26.650   8.1301   19.030   7.8021 7.619707 11.26814 
1 1 1   28    6   10 o   14.838   6.3459   1.3466   2.6245  -3.4590   3.6889   6.2722   3.7347   12.425   6.0316   22.558   8.1826 -10.13311 10.16544 
1 1 1   28    6   11 o   17.018   6.8416   2.8013   2.7956   7.4611   4.3985  -0.3568   3.6211   23.285   8.7988   14.308   6.6564 8.977049 11.03301 
1 1 1   28    7    0 o   37.473   7.4388   13.293   3.8864   13.293   3.8864   13.293   3.8864   37.473   7.4388   37.473   7.4388 0.000000 0.000000 
1 1 1   28    7    2 o   25.061   6.5031   6.0588   2.5793   5.4170   3.6356   6.7092   3.6600   22.871   8.0995   25.157   8.1329 -2.286396 11.47808 
1 1 1   28    7    3 o   37.499   5.1128   12.483   2.9305   12.502   4.0642   12.463   4.2294   35.215   7.5790   34.774   7.9270 0.4412270 10.96718 
1 1 1   28    7    4 o   30.225   5.5960   8.3777   2.5565   12.075   3.6701   4.8928   3.5633   35.192   6.8922   21.834   7.9817 13.35753 10.54563 
1 1 1   28    7    5 o   33.743   4.9929   10.161   2.5642   4.3860   3.5453   16.496   3.7130   20.860   7.8956   42.347   5.7344 -21.48737 9.758313 
1 1 1   28    7    6 o   22.467   6.6225   5.0636   2.4934   4.4606   3.5108   5.6774   3.5418   20.760   7.8572   22.788   8.0009 -2.027718 11.21387 
1 1 1   28    7    7 o   24.283   6.3966   5.9062   2.4710   5.7483   3.5189   6.0599   3.4707   22.621   7.9724   23.219   7.9320 -0.5971546 11.24614 
1 1 1   28    7    8 o   28.515   5.9798   7.9455   2.5903   4.2629   3.5402   12.188   3.8000   19.893   7.7940   33.843   7.3647 -13.94947 10.72311 
1 1 1   28    7    9 o   12.613   5.7752  -0.4363   2.5736  -4.6000   3.5777   4.0290   3.7050   11.630   5.7083   19.286   7.8319 -7.655811 9.691448 
1 1 1   28    7   10 o   15.590   6.4869   1.9393   2.6231   4.6151   3.7458  -0.6357   3.6746   19.814   7.9353   14.191   6.6359 5.623366 10.34433 
1 1 1   28    8    0 o  123.833   2.8934  122.890   5.6159  122.890   5.6159  122.890   5.6159  123.833   2.8934  123.833   2.8934 0.000000 0.000000 
1 1 1   28    8    1 o   35.615   4.8206   11.175   2.6252   11.304   3.6963   11.043   3.7290   33.677   7.2115   33.112   7.3665 0.5651627 10.30877 
1 1 1   28    8    3 o   12.671   5.9079  -1.4636   2.8782  -1.3138   4.0867  -1.6111   4.0542   15.088   7.0367   14.815   6.9417 0.2729225 9.884439 
1 1 1   28    8    4 o   46.383   3.7090   18.165   2.6773   15.890   3.7499   20.531   3.8237   41.176   5.9777   47.789   5.1813 -6.613041 7.910665 
1 1 1   28    8    5 o   18.515   6.7898   3.2879   2.5817   0.9990   3.6173   5.6643   3.6858   16.220   7.1821   22.556   8.1361 -6.335600 10.85264 
1 1 1   28    8    6 o   26.168   6.2016   6.7569   2.5076   6.5781   3.5868   6.9278   3.5070   23.958   8.0648   24.708   7.9587 -0.7501431 11.33058 
1 1 1   28    8    7 o   9.6355   4.7254  -3.7375   2.4355  -4.1694   3.4565  -3.3116   3.4322   11.713   5.7199   12.165   5.8846 -0.4522181 8.206453 
1 1 1   28    8    8 o   22.528   6.5351   5.3255   2.4450   3.4256   3.4304   7.2872   3.4857   18.417   7.5148   24.812   7.9288 -6.395058 10.92425 
1 1 1   28    8    9 o   10.791   5.1239  -1.7157   2.3474  -3.6851   3.3284   0.2334   3.3112   11.561   5.6383   14.428   6.5850 -2.867336 8.669122 
1 1 1   28    9    0 o   43.446   5.9324   16.841   3.8313   16.841   3.8313   16.841   3.8313   43.446   5.9324   43.446   5.9324 0.000000 0.000000 
1 1 1   28    9    2 o   22.526   6.7623   5.1521   2.5811   6.9282   3.7138   3.4927   3.5898   24.790   8.2034   19.274   7.7513 5.515928 11.28625 
1 1 1   28    9    3 o   50.602   3.7880   21.775   2.9862   26.965   4.6187   18.047   3.9144   54.103   5.5170   43.841   5.8342 10.26205 8.029659 
1 1 1   28    9    4 o   13.397   5.9652   0.1500   2.5304  -1.3016   3.5709   1.6141   3.5862   13.943   6.5271   16.700   7.2799 -2.756872 9.777510 
1 1 1   28    9    5 f   28.843   5.9613   8.0890   2.6090   15.430   3.7738   1.3682   3.6110   39.702   6.2646   16.326   7.2047 23.37629 9.547394 
1 1 1   28    9    6 o   9.6431   4.7232  -3.5887   2.4099  -5.9379   3.4456  -1.3391   3.3718   10.774   5.3456   13.379   6.2884 -2.605538 8.253469 
1 1 1   28    9    7 o   22.785   6.6120   5.5022   2.5024   5.1462   3.4738   5.8861   3.6080   20.943   7.8395   22.056   8.0364 -1.112638 11.22686 
1 1 1   28    9    8 o   14.423   6.1676   1.2667   2.4785  -0.5929   3.4900   3.1589   3.5204   13.947   6.5037   17.840   7.4757 -3.893784 9.908853 
1 1 1   28   10    0 o   76.246   3.7194   47.791   4.4262   47.791   4.4262   47.791   4.4262   76.246   3.7194   76.246   3.7194 0.000000 0.000000 
1 1 1   28   10    1 o   46.175   3.7768   18.240   2.7129   18.382   3.8343   18.098   3.8389   44.212   5.6557   43.782   5.7244 0.4305229 8.047094 
1 1 1   28   10    2 o   56.885   3.2245   27.062   2.8667   25.684   4.0526   28.441   4.0557   53.335   4.8964   56.552   4.6099 -3.216309 6.725041 
1 1 1   28   10    3 o   16.077   6.4908   2.1186   2.5280   2.1260   3.6513   2.1118   3.5034   17.125   7.4062   16.979   7.2981 0.1457481 10.39778 
1 1 1   28   10    4 o   23.043   6.6861   5.5896   2.5590   5.1495   3.6053   6.0365   3.6328   21.087   7.9665   22.515   8.0831 -1.428278 11.34904 
1 1 1   28   10    5 o   21.731   6.7884   5.0697   2.5683   6.9143   3.6315   3.2236   3.6329   23.866   8.1144   18.206   7.6092 5.659752 11.12402 
1 1 1   28   10    6 o   11.643   5.4277  -1.0150   2.4274  -1.7009   3.4027  -0.3042   3.4638   12.999   6.1714   14.196   6.5716 -1.196721 9.015134 
1 1 1   28   10    7 o   22.263   6.6277   5.3673   2.4873   8.3887   3.5306   2.3900   3.5046   26.360   7.9079   16.826   7.2664 9.533964 10.73941 
1 1 1   28   11    0 o   16.063   9.2118   3.9907   3.6873   3.9907   3.6873   3.9907   3.6873   16.063   9.2118   16.063   9.2118 0.000000 0.000000 
1 1 1   28   11    1 o   37.898   4.4480   12.855   2.5951   10.550   3.5904   15.378   3.7552   30.936   7.4789   39.231   6.3138 -8.295238 9.787657 
1 1 1   28   11    2 o   15.840   6.4414   2.0890   2.5101   8.1060   3.6855  -3.1171   3.4281   25.892   8.1381   12.161   5.8822 13.73147 10.04137 
1 1 1   28   11    3 o   39.083   4.4522   13.723   2.6820   18.330   3.8624   9.4320   3.7272   43.408   5.8161   28.177   8.0364 15.23092 9.920188 
1 1 1   28   11    4 o   20.160   6.7675   4.4175   2.5258   5.4729   3.5802   3.3716   3.5639   21.193   7.9534   18.155   7.5583 3.037605 10.97195 
1 1 1   28   11    5 o   12.860   5.8041   0.0739   2.4859  -3.0856   3.5389   3.1514   3.4927   12.253   5.9386   17.743   7.4413 -5.489676 9.520501 
1 1 1   28   11    6 o   12.577   5.7992  -0.4587   2.6590  -4.0261   3.7467   3.1609   3.7741   12.050   5.8993   17.758   7.6026 -5.708182 9.623005 
1 1 1   28   12    0 o   13.092   8.2680   2.0549   3.6197   2.0549   3.6197   2.0549   3.6197   13.092   8.2680   13.092   8.2680 0.000000 0.000000 
1 1 1   28   12    1 o   31.151   5.4919   9.4080   2.5866   5.4437   3.5840   13.718   3.7369   20.970   7.9383   35.884   6.8862 -14.91428 10.50892 
1 1 1   28   12    2 o   16.524   6.5837   2.6129   2.5651   2.3860   3.5656   2.8563   3.6928   16.802   7.2923   17.409   7.4879 -0.6074982 10.45210 
1 1 1   28   12    3 o   10.904   5.2990  -3.0875   2.8673  -4.9096   4.0023  -1.1661   4.1099   12.041   5.9349   14.266   6.7755 -2.224808 9.007297 
1 1 1   28   12    4 o   19.095   7.2101   4.1493   2.9522   12.296   4.2586  -3.3882   4.0963   31.242   8.4736   12.911   6.2877 18.33085 10.55165 
1 1 1   29    0    1 o   49.807   4.9456   21.123   3.7717   21.123   3.7717   21.123   3.7717   49.807   4.9456   49.807   4.9456 0.000000 0.000000 
1 1 1   29    0    2 o   14.090   8.5025   2.4097   3.4316   2.4097   3.4316   2.4097   3.4316   14.090   8.5025   14.090   8.5025 0.000000 0.000000 
1 1 1   29    0    3 o   53.977   4.6607   24.579   3.8774   24.579   3.8774   24.579   3.8774   53.977   4.6607   53.977   4.6607 0.000000 0.000000 
1 1 1   29    0    4 o   18.084   9.3276   4.7120   3.3924   4.7120   3.3924   4.7120   3.3924   18.084   9.3276   18.084   9.3276 0.000000 0.000000 
1 1 1   29    0    5 o   13.363   8.2587   2.0272   3.4144   2.0272   3.4144   2.0272   3.4144   13.363   8.2587   13.363   8.2587 0.000000 0.000000 
1 1 1   29    0    6 o   30.899   8.3646   10.109   3.5051   10.109   3.5051   10.109   3.5051   30.899   8.3646   30.899   8.3646 0.000000 0.000000 
1 1 1   29    0    7 o   25.725   9.3560   8.1021   3.4736   8.1021   3.4736   8.1021   3.4736   25.725   9.3560   25.725   9.3560 0.000000 0.000000 
1 1 1   29    0    8 o   20.543   9.5220   6.0436   3.3934   6.0436   3.3934   6.0436   3.3934   20.543   9.5220   20.543   9.5220 0.000000 0.000000 
1 1 1   29    0    9 o   30.551   8.7399   10.351   3.6314   10.351   3.6314   10.351   3.6314   30.551   8.7399   30.551   8.7399 0.000000 0.000000 
1 1 1   29    1    0 o   16.957   9.1739   4.0760   3.4105   4.0760   3.4105   4.0760   3.4105   16.957   9.1739   16.957   9.1739 0.000000 0.000000 
1 1 1   29    1    1 f   33.303   5.1129   9.9363   2.5869   7.1634   3.6337   12.786   3.6836   25.737   8.0795   36.342   6.7058 -10.60494 10.49982 
1 1 1   29    1    2 o   44.232   3.8688   16.581   2.6585   19.683   3.8193   13.665   3.7028   46.776   5.2960   37.765   6.4812 9.011169 8.369796 
1 1 1   29    1    3 o   25.708   6.2233   6.3947   2.4835   5.3619   3.4539   7.5003   3.5736   22.412   7.8984   26.262   7.9730 -3.849182 11.22287 
1 1 1   29    1    4 o   35.966   4.6147   11.412   2.5447   12.376   3.5760   10.423   3.6219   35.501   6.6636   31.701   7.4135 3.799898 9.968076 
1 1 1   29    1    5 o   11.824   5.4650  -0.9833   2.3814   0.7438   3.3834  -2.6788   3.3524   15.573   6.9182   12.572   6.0122 3.001510 9.165536 
1 1 1   29    1    6 o   19.643   6.7146   3.9313   2.4871   0.9419   3.4537   7.1516   3.5847   15.751   6.9938   24.939   8.0475 -9.187832 10.66191 
1 1 1   29    1    7 o   32.248   5.2550   9.6848   2.5679   9.9357   3.5916   9.4225   3.6730   30.062   7.6079   28.847   7.8883 1.214622 10.95924 
1 1 1   29    1    8 o   12.484   5.6327  -0.1205   2.3393   1.1339   3.2912  -1.4013   3.3257   15.480   6.8528   13.189   6.2133 2.291113 9.250140 
1 1 1   29    1    9 o   14.167   6.0668   1.1155   2.4044   1.6987   3.4425   0.5601   3.3596   16.160   7.0864   14.874   6.7272 1.285414 9.770986 
1 1 1   29    2    0 o   59.213   4.3853   29.227   4.0224   29.227   4.0224   29.227   4.0224   59.213   4.3853   59.213   4.3853 0.000000 0.000000 
1 1 1   29    2    1 o   24.931   6.2807   6.0179   2.4557   7.6454   3.5107   4.4584   3.4364   26.751   7.8510   20.965   7.8073 5.786049 11.07213 
1 1 1   29    2    2 o   30.619   5.4849   8.6145   2.5387   12.054   3.6288   5.3171   3.5530   34.992   6.8536   22.328   7.9964 12.66389 10.53157 
1 1 1   29    2    3 o   43.211   3.8761   15.886   2.6005   14.822   3.6894   16.937   3.6661   39.562   6.1415   42.949   5.5704 -3.386650 8.291406 
1 1 1   29    2    4 o   17.753   6.6352   2.9065   2.4865   3.9346   3.5246   1.8878   3.5083   19.861   7.7781   17.096   7.3250 2.764540 10.68429 
1 1 1   29    2    5 o   43.633   3.8269   16.277   2.5939   18.351   3.7076   14.288   3.6305   44.622   5.4046   38.439   6.2315 6.182617 8.248744 
1 1 1   29    2    6 o   38.211   4.3774   12.878   2.5776   15.158   3.6380   10.580   3.6525   39.663   6.0347   31.359   7.5194 8.304590 9.641537 
1 1 1   29    2    7 o   25.108   6.3272   6.3951   2.4917   7.1427   3.5107   5.6362   3.5370   24.720   7.9630   21.987   7.9649 2.733271 11.26270 
1 1 1   29    2    8 o   17.361   6.4680   2.9651   2.3591   1.0998   3.2902   4.9385   3.3842   15.417   6.8368   20.703   7.7402 -5.286824 10.32728 
1 1 1   29    3    0 o   11.720   7.6815   0.4429   3.5224   0.4429   3.5224   0.4429   3.5224   11.720   7.6815   11.720   7.6815 0.000000 0.000000 
1 1 1   29    3    1 o   62.166   2.9308   31.715   2.8512   26.151   3.9788   37.588   4.0878   54.611   4.6879   66.545   3.9319 -11.93378 6.118534 
1 1 1   29    3    2 o   43.017   3.9495   15.793   2.6364   17.133   3.7925   14.540   3.6675   42.973   5.7694   39.137   6.1760 3.836239 8.451581 
1 1 1   29    3    3 o   27.226   6.2204   7.2062   2.5994   9.2518   3.6907   5.1928   3.6616   29.213   7.8736   21.850   8.0736 7.362719 11.27724 
1 1 1   29    3    4 o   53.820   3.4645   24.331   2.9106   27.992   3.9857   20.147   4.2604   56.448   4.5375   46.035   6.0431 10.41287 7.556969 
1 1 1   29    3    5 o   26.903   6.1016   7.0890   2.5166   4.4939   3.5368   9.7504   3.5817   20.450   7.8508   30.039   7.5948 -9.589190 10.92316 
1 1 1   29    3    6 o   53.910   3.2985   24.400   2.7773   26.147   3.9063   22.614   3.9493   54.130   4.6434   49.664   5.1415 4.465775 6.927964 
1 1 1   29    3    7 o   9.6238   4.7147  -3.5841   2.4050  -5.2080   3.3951  -1.9483   3.4075   11.001   5.4307   12.964   6.1608 -1.962760 8.212707 
1 1 1   29    3    8 o   27.961   6.0017   7.7839   2.5547   7.3302   3.6549   8.2173   3.5723   24.487   8.1393   26.310   7.9681 -1.822844 11.39030 
1 1 1   29    4    0 o   51.446   4.8596   22.565   3.8381   22.565   3.8381   22.565   3.8381   51.446   4.8596   51.446   4.8596 0.000000 0.000000 
1 1 1   29    4    1 o   38.044   4.4764   12.686   2.6215   15.789   3.7453   9.7054   3.6704   40.884   6.0174   30.156   7.7229 10.72800 9.790405 
1 1 1   29    4    2 o   38.321   4.2870   12.783   2.5339   8.2653   3.5319   17.574   3.6375   27.537   7.8129   43.789   5.4082 -16.25142 9.502102 
1 1 1   29    4    3 o   30.344   5.9822   8.8276   2.7474   5.8021   3.5555   13.311   4.3283   22.764   8.0144   34.937   8.0588 -12.17235 11.36557 
1 1 1   29    4    4 o   14.891   6.3591   1.1702   2.6286   3.5133   3.5170  -1.7948   3.9564   19.013   7.6632   14.205   6.7177 4.807987 10.19081 
1 1 1   29    4    5 o   47.108   3.6693   18.918   2.6912   18.651   3.8110   19.183   3.8009   44.592   5.5669   45.382   5.4457 -0.7897606 7.787561 
1 1 1   29    4    6 o   18.024   6.6346   3.2301   2.4687   2.8796   3.4691   3.5897   3.5139   17.850   7.4462   18.827   7.6340 -0.9766445 10.66415 
1 1 1   29    4    7 o   44.613   3.6745   17.105   2.5498   16.280   3.6266   17.911   3.5857   41.052   5.7900   43.658   5.3450 -2.606224 7.879890 
1 1 1   29    4    8 o   16.553   6.4582   2.5712   2.4223   3.1735   3.3981   1.9489   3.4538   17.926   7.4143   16.441   7.1560 1.485491 10.30436 
1 1 1   29    5    0 o   18.301   9.4206   4.9102   3.4559   4.9102   3.4559   4.9102   3.4559   18.301   9.4206   18.301   9.4206 0.000000 0.000000 
1 1 1   29    5    1 o   13.214   5.8868   0.0825   2.4679  -2.3753   3.4405   2.6874   3.5419   12.939   6.1609   17.998   7.5171 -5.058969 9.719241 
1 1 1   29    5    2 o   13.143   5.8295   0.1704   2.3930  -0.8204   3.3747   1.1726   3.3938   14.001   6.4832   15.986   7.0224 -1.985347 9.557530 
1 1 1   29    5    3 o   18.620   7.0093   3.4254   2.7853   3.2684   3.8389   3.5998   4.0475   18.785   7.8343   19.282   8.0432 -0.4974575 11.22804 
1 1 1   29    5    4 o   14.317   6.3017   0.6483   2.7457   1.7368   3.8096  -0.5283   3.9609   16.917   7.4354   15.048   6.9871 1.869194 10.20317 
1 1 1   29    5    5 o   20.264   6.6761   4.2862   2.4606   0.2113   3.4267   8.6237   3.5354   14.832   6.7420   27.554   7.8164 -12.72216 10.32234 
1 1 1   29    5    6 o   50.729   3.3927   21.801   2.6854   20.332   3.7832   23.292   3.8123   46.687   5.2548   50.547   4.8661 -3.859528 7.161880 
1 1 1   29    5    7 o   20.412   6.6281   4.4406   2.4293   2.4500   3.4045   6.5057   3.4675   17.023   7.2525   23.239   7.9286 -6.215460 10.74532 
1 1 1   29    6    0 o   44.167   5.7160   17.423   3.7792   17.423   3.7792   17.423   3.7792   44.167   5.7160   44.167   5.7160 0.000000 0.000000 
1 1 1   29    6    1 o   13.713   5.9705   0.6313   2.4058   1.8375   3.4318  -0.5343   3.3735   16.682   7.1971   14.167   6.5324 2.514567 9.719586 
1 1 1   29    6    2 o   17.543   6.6602   2.9219   2.5272   3.9850   3.5923   1.8803   3.5558   19.547   7.7903   16.822   7.2919 2.724934 10.67049 
1 1 1   29    6    3 o   29.033   6.5722   8.5750   2.9245   8.1083   4.0997   9.0586   4.1728   25.587   8.6222   27.086   8.6773 -1.498201 12.23265 
1 1 1   29    6    4 o   13.716   6.1208   0.3194   2.6794  -5.5350   3.8162   6.0116   3.7630   11.672   5.7611   22.371   8.1984 -10.69950 10.02022 
1 1 1   29    6    5 o   23.295   6.5979   5.7100   2.5211   2.1117   3.5013   9.5844   3.6330   16.791   7.2570   28.942   7.8166 -12.15148 10.66599 
1 1 1   29    6    6 o   41.164   4.1488   14.958   2.6435   16.628   3.7311   13.276   3.7460   41.185   5.9447   35.453   6.9817 5.732056 9.169688 
1 1 1   29    7    0 o   54.887   4.6454   25.712   3.9329   25.712   3.9329   25.712   3.9329   54.887   4.6454   54.887   4.6454 0.000000 0.000000 
1 1 1   29    7    1 o   16.071   6.4166   2.1948   2.4415   4.0970   3.4763   0.3432   3.4298   19.528   7.7013   14.935   6.7717 4.592307 10.25502 
1 1 1   29    7    2 o   58.849   3.0688   28.896   2.8243   31.425   4.0181   26.427   3.9707   59.674   4.3200   54.133   4.7212 5.541157 6.399380 
1 1 1   29    7    3 o   15.364   6.4445   1.6798   2.6203  -3.7286   3.9807   5.8151   3.4808   12.819   6.2329   22.166   7.9174 -9.346317 10.07639 
1 1 1   29    7    4 o   40.628   4.6263   14.931   2.8971   10.793   4.2924   18.393   3.9263   29.301   8.7026   43.419   5.9161 -14.11761 10.52311 
1 1 1   29    7    5 o   13.819   6.1233   0.5864   2.6341  -1.1451   3.6091   2.5601   3.8532   13.762   6.4800   17.407   7.5677 -3.644984 9.962956 
1 1 1   29    8    0 o   11.529   7.5512   0.7304   3.3952   0.7304   3.3952   0.7304   3.3952   11.529   7.5512   11.529   7.5512 0.000000 0.000000 
1 1 1   29    8    1 o   49.042   3.5579   20.579   2.7196   20.499   3.8299   20.660   3.8626   46.667   5.3248   46.810   5.3545 -0.1423874 7.551387 
1 1 1   29    8    2 o   11.764   5.4828  -1.0227   2.4749  -2.3424   3.5209   0.2661   3.4794   12.790   6.1285   14.760   6.7418 -1.970101 9.110937 
1 1 1   29    8    3 o   35.922   5.0975   12.060   2.7930   15.837   4.2976   9.2977   3.6750   38.017   7.4701   28.003   7.9777 10.01359 10.92910 
1 1 1   29    8    4 o   12.555   5.9277  -1.4441   3.0582  -2.3537   4.5291  -0.6819   4.1460   14.241   6.8567   14.798   6.9609 -0.5571117 9.770780 
1 1 1   29    9    0 o   41.661   7.3711   17.000   4.3691   17.000   4.3691   17.000   4.3691   41.661   7.3711   41.661   7.3711 0.000000 0.000000 
1 1 1   29    9    1 o   20.867   7.0652   4.8823   2.7528   4.2667   3.7319   5.6170   4.0771   19.321   7.8551   21.037   8.3265 -1.715523 11.44702 
1 1 1   30    0    0 o   9.7919   6.9700  -5.4899   4.6630  -5.4899   4.6630  -5.4899   4.6630   9.7919   6.9700   9.7919   6.9700 0.000000 0.000000 
1 1 1   30    0    1 o   33.576   9.4552   12.676   4.3126   12.676   4.3126   12.676   4.3126   33.576   9.4552   33.576   9.4552 0.000000 0.000000 
1 1 1   30    1    0 o   38.945   6.8359   14.472   3.7932   14.472   3.7932   14.472   3.7932   38.945   6.8359   38.945   6.8359 0.000000 0.000000 
1 1 1   30    1    1 o   22.833   7.1412   5.7605   2.8413   4.7445   4.0155   6.7794   4.0210   20.221   8.1747   23.147   8.4762 -2.925825 11.77588 
#END OF REFLECTIONS
